| 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 | 43.5 | Very low | 41.8 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 85% | 0.847 | 62% | 0.624 | S | S | * | * | 0 | 114.2 | 0 | -104.4 | 174.7 | 174 | 0 | 0 | 105.8 | |||||
| 2 | E | 37.8 | Very low | 41.5 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.2 | 172.1 | -75.2 | -174 | 163.2 | 0 | 0 | 108.3 | ||
| 3 | T | 41.3 | Very low | 41.5 | Very low | 91 Ų | 91 | 111 Ų | 111 | 56% | 0.558 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 113.2 | 176.7 | 25.1 | 0 | 0 | 0 | 0 | 108.5 | Y14 | T3-Y14 HydrophobicContact CG2-CD1 3.57Å; T3-Y14 HydrophobicContact CG2-CE1 3.42Å; T3-Y14 VanDerWaalsContact CG2-CE1 3.42Å |
| 4 | S | 41.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 112.5 Ų | 112.5 | 53% | 0.531 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.5 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | S13 | S4-S13 PolarHBondContact N-O 3.5Å; S4-S13 PolarHBondContact O-N 3.43Å |
| 5 | V | 44.4 | Very low | 40.9 | Very low | 84 Ų | 84 | 110.2 Ų | 110.2 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 101 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | R7 V12 | V5-R7 HydrophobicContact CG1-CG 4.02Å; V5-R7 PolarHBondContact O-N 3.49Å; V5-V12 HydrophobicContact CG2-CG1 4.49Å |
| 6 | D | 43.8 | Very low | 40.9 | Very low | 63 Ų | 63 | 110.5 Ų | 110.5 | 34% | 0.337 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.3 | 102.6 | 169.1 | -178.9 | 0.7 | 0 | 0 | 0 | 108.7 | T8 N9 N10 R11 | D6-T8 PolarHBondContact O-N 3.26Å; D6-T8 PolarHBondContact OD1-N 3.17Å; D6-T8 PolarHBondContact OD1-OG1 3.48Å; D6-N9 PolarHBondContact OD2-ND2 3.47Å; D6-N10 PolarHBondContact O-N 3.41Å; D6-R11 PolarHBondContact N-O 3.45Å; D6-R11 PolarHBondContact O-N 3.26Å |
| 7 | R | 45.2 | Very low | 40.9 | Very low | 224 Ų | 224 | 111.7 Ų | 111.7 | 85% | 0.845 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -11.9 | -178.4 | -69.5 | -175 | 176.4 | -176.4 | -0.7 | 113.6 | V5 | V5-R7 HydrophobicContact CG1-CG 4.02Å; V5-R7 PolarHBondContact O-N 3.49Å |
| 8 | T | 44 | Very low | 40.6 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 74% | 0.736 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -28.2 | 179.2 | 54.7 | 0 | 0 | 0 | 0 | 113 | D6 | D6-T8 PolarHBondContact O-N 3.26Å; D6-T8 PolarHBondContact OD1-N 3.17Å; D6-T8 PolarHBondContact OD1-OG1 3.48Å |
| 9 | N | 40.6 | Very low | 40.5 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 7.7 | 179.5 | -71.3 | -44.7 | 0 | 0 | 0 | 114.5 | D6 R11 | D6-N9 PolarHBondContact OD2-ND2 3.47Å; N9-R11 PolarHBondContact O-N 3.48Å; N9-R11 VanDerWaalsContact O-N 3.15Å |
| 10 | N | 41.6 | Very low | 40.3 | Very low | 133 Ų | 133 | 114.8 Ų | 114.8 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.9 | 37.5 | 179.3 | -141.4 | 19 | 0 | 0 | 0 | 112.9 | D6 | D6-N10 PolarHBondContact O-N 3.41Š|
| 11 | R | 35.4 | Very low | 40.2 | Very low | 108 Ų | 108 | 117.6 Ų | 117.6 | 41% | 0.408 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 126 | -176.8 | -149.8 | 179.9 | -155.2 | -103.7 | -1.9 | 108.4 | D6 N9 S24 | D6-R11 PolarHBondContact N-O 3.45Å; D6-R11 PolarHBondContact O-N 3.26Å; N9-R11 PolarHBondContact O-N 3.48Å; N9-R11 VanDerWaalsContact O-N 3.15Å; R11-S24 PolarHBondContact NH1-OG 3.49Å; R11-S24 PolarHBondContact NH2-OG 3.4Å |
| 12 | V | 39 | Very low | 39.6 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 35% | 0.345 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 119 | 173.3 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | V5 Y14 | V5-V12 HydrophobicContact CG2-CG1 4.49Å; V12-Y14 HydrophobicContact CB-CE2 4.22Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE1 4.36Å; V12-Y14 HydrophobicContact CG1-CE2 3.45Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.45Å |
| 13 | S | 40.8 | Very low | 39.6 | Very low | 38 Ų | 38 | 114.6 Ų | 114.6 | 27% | 0.266 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 129 | -178.5 | -48.5 | 0 | 0 | 0 | 0 | 108.8 | S4 | S4-S13 PolarHBondContact N-O 3.5Å; S4-S13 PolarHBondContact O-N 3.43Å |
| 14 | Y | 36.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.3 | 178.2 | -65 | -87.8 | 0 | 0 | 0 | 108.2 | T3 V12 | T3-Y14 HydrophobicContact CG2-CD1 3.57Å; T3-Y14 HydrophobicContact CG2-CE1 3.42Å; T3-Y14 VanDerWaalsContact CG2-CE1 3.42Å; V12-Y14 HydrophobicContact CB-CE2 4.22Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE1 4.36Å; V12-Y14 HydrophobicContact CG1-CE2 3.45Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.45Å |
| 15 | T | 38.1 | Very low | 39.1 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 48% | 0.479 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.6 | 172.9 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 16 | Q | 41.7 | Very low | 38.8 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | trans | -102.4 | 123.4 | 164.9 | -167.9 | 163 | 16.7 | 0 | 0 | 106.8 | N18 | Q16-N18 PolarHBondContact O-N 3.41Š| ||
| 17 | S | 40.4 | Very low | 38.3 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 92% | 0.916 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -69.8 | 71 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 18 | N | 35.5 | Very low | 37.9 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -148.6 | 114.2 | 174 | -135.2 | -14.4 | 0 | 0 | 0 | 107.4 | Q16 L20 | Q16-N18 PolarHBondContact O-N 3.41Å; N18-L20 PolarHBondContact O-N 3.44Å | ||
| 19 | P | 39.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 109.8 Ų | 109.8 | 85% | 0.851 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 18.7 | -160.2 | 29.4 | -35.3 | 0 | 0 | 0 | 115.6 | ||
| 20 | L | 36 | Very low | 37.6 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -7.2 | -178.7 | -77.8 | 169.5 | 0 | 0 | 0 | 114.8 | N18 | N18-L20 PolarHBondContact O-N 3.44Š|
| 21 | F | 38.2 | Very low | 37.3 | Very low | 175 Ų | 175 | 113.7 Ų | 113.7 | 77% | 0.768 | 58% | 0.581 | S | S | * | * | trans | -144.4 | 90.7 | 177.3 | -74.8 | -83.1 | 0 | 0 | 0 | 110.2 | ||||
| 22 | D | 30.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 115.1 Ų | 115.1 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -108.4 | 111.5 | 159.4 | -162.8 | 3.4 | 0 | 0 | 0 | 107.1 | ||||
| 23 | M | 36.8 | Very low | 37.1 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 64% | 0.64 | 61% | 0.61 | S | S | * | * | trans | -135.2 | 100.2 | -178.1 | -155.7 | 175.2 | 68 | 0 | 0 | 109.1 | L25 | M23-L25 HydrophobicContact CE-CD1 3.57Å; M23-L25 HydrophobicContact CE-CG 4.4Å; M23-L25 HydrophobicContact CG-CG 4.46Å; M23-L25 HydrophobicContact SD-CD1 4.43Å | ||
| 24 | S | 36.4 | Very low | 37 | Very low | 49 Ų | 49 | 124 Ų | 124 | 34% | 0.343 | 63% | 0.628 | S | S | . | * | trans | -93.9 | 113.1 | 171.1 | 86.5 | 0 | 0 | 0 | 0 | 108.9 | R11 | R11-S24 PolarHBondContact NH1-OG 3.49Å; R11-S24 PolarHBondContact NH2-OG 3.4Å | ||
| 25 | L | 37.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | trans | -106.3 | 124.9 | 175.3 | -79.3 | 163.6 | 0 | 0 | 0 | 109.7 | M23 D29 | M23-L25 HydrophobicContact CE-CD1 3.57Å; M23-L25 HydrophobicContact CE-CG 4.4Å; M23-L25 HydrophobicContact CG-CG 4.46Å; M23-L25 HydrophobicContact SD-CD1 4.43Å; L25-D29 HydrophobicContact CD2-CB 4.15Å | ||
| 26 | S | 36.3 | Very low | 37.1 | Very low | 30 Ų | 30 | 125.7 Ų | 125.7 | 21% | 0.21 | 65% | 0.649 | C | S | . | * | trans | -91.4 | 158.4 | 171.2 | 81.6 | 0 | 0 | 0 | 0 | 110.7 | T28 D29 | S26-T28 PolarHBondContact O-N 3.41Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-D29 WeakPolarHBondContact CA-OD2 3.41Å; S26-D29 WeakPolarHBondContact CB-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.13Å; S26-D29 PolarHBondContact O-N 3.48Å; S26-D29 VanDerWaalsContact O-N 3.08Å; S26-D29 VanDerWaalsContact OG-CG 3.31Å; S26-D29 PolarHBondContact OG-OD2 3.36Å | ||
| 27 | R | 35.2 | Very low | 36.8 | Very low | 200 Ų | 200 | 127 Ų | 127 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -18.4 | -178.4 | -159.4 | 172.5 | -178.8 | 148.4 | -1 | 113.2 | ||
| 28 | T | 36.4 | Very low | 36.8 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -27.5 | 177.8 | -28.2 | 0 | 0 | 0 | 0 | 112.1 | S26 L30 Y31 | S26-T28 PolarHBondContact O-N 3.41Å; S26-T28 VanDerWaalsContact O-N 3.1Å; T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 3.37Å; T28-Y31 PolarHBondContact O-N 3.37Å |
| 29 | D | 40.4 | Very low | 36.9 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 42% | 0.417 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -22.3 | -180 | -55.9 | -45.2 | 0 | 0 | 0 | 112.4 | L25 S26 Y31 | L25-D29 HydrophobicContact CD2-CB 4.15Å; S26-D29 WeakPolarHBondContact CA-OD2 3.41Å; S26-D29 WeakPolarHBondContact CB-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.13Å; S26-D29 PolarHBondContact O-N 3.48Å; S26-D29 VanDerWaalsContact O-N 3.08Å; S26-D29 VanDerWaalsContact OG-CG 3.31Å; S26-D29 PolarHBondContact OG-OD2 3.36Å; D29-Y31 VanDerWaalsContact C-N 3.35Å |
| 30 | L | 38 | Very low | 36.7 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -20.4 | 176.2 | -90 | 153.9 | 0 | 0 | 0 | 113.9 | T28 | T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 3.37Å |
| 31 | Y | 35.6 | Very low | 36.5 | Very low | 205 Ų | 205 | 126.6 Ų | 126.6 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -13.6 | -176.5 | -95.3 | -81 | 0 | 0 | 0 | 114.4 | T28 D29 | T28-Y31 PolarHBondContact O-N 3.37Å; D29-Y31 VanDerWaalsContact C-N 3.35Å |
| 32 | N | 34.6 | Very low | 36.3 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | trans | -116.3 | 35.7 | 178.8 | -76.6 | -22.4 | 0 | 0 | 0 | 112.6 | Q34 | N32-Q34 PolarHBondContact O-N 3.05Š| ||
| 33 | F | 35 | Very low | 36.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | trans | -72.2 | 99.2 | 176.6 | -144.6 | -90.8 | 0 | 0 | 0 | 109.8 | L38 | F33-L38 HydrophobicContact CE1-CD1 3.97Å; F33-L38 HydrophobicContact CE1-CG 4.22Å; F33-L38 HydrophobicContact CZ-CD1 4.46Å | ||
| 34 | Q | 37.7 | Very low | 36.9 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | trans | -76 | 141.1 | 169 | -87.2 | -176.7 | -45.8 | 0 | 0 | 110 | N32 D36 | N32-Q34 PolarHBondContact O-N 3.05Å; Q34-D36 PolarHBondContact O-N 3.28Å; Q34-D36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | P | 40.6 | Very low | 37.7 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 0.4 | -170.8 | -14.8 | 30.3 | 0 | 0 | 0 | 115.7 | ||
| 36 | D | 36.8 | Very low | 38.1 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -11.2 | -168.5 | -69.7 | -39.5 | 0 | 0 | 0 | 114.5 | Q34 | Q34-D36 PolarHBondContact O-N 3.28Å; Q34-D36 VanDerWaalsContact O-N 3.08Å |
| 37 | D | 35.3 | Very low | 38.5 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -92.4 | -2 | -176.3 | -67.7 | -35 | 0 | 0 | 0 | 114.5 | K39 | D37-K39 PolarHBondContact O-N 3.47Š|
| 38 | L | 39.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 60% | 0.602 | 69% | 0.688 | S | S | * | * | trans | -98.5 | 79.2 | 168.1 | -70.5 | 172.6 | 0 | 0 | 0 | 109.9 | F33 P40 | F33-L38 HydrophobicContact CE1-CD1 3.97Å; F33-L38 HydrophobicContact CE1-CG 4.22Å; F33-L38 HydrophobicContact CZ-CD1 4.46Å; L38-P40 WeakPolarHBondContact O-CD 3.35Å | ||
| 39 | K | 38.1 | Very low | 40.1 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | trans | -85.9 | 95.6 | 155.1 | -80.3 | -176.4 | -178 | 173.3 | 0 | 110.2 | D37 | D37-K39 PolarHBondContact O-N 3.47Š| ||
| 40 | P | 34.1 | Very low | 40.7 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | trans | -115.2 | 148.9 | 136.1 | 31.4 | -20.5 | 0 | 0 | 0 | 109.7 | L38 R42 | L38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-R42 PolarHBondContact O-N 2.99Å | ||
| 41 | A | 33.4 | Very low | 41.4 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -53.1 | 122.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 42 | R | 33.6 | Very low | 42.3 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 78.9 | 129.6 | 167.4 | -50.1 | -173.4 | -166.3 | -156.4 | 3.7 | 116.8 | P40 R44 | P40-R42 PolarHBondContact O-N 2.99Å; R42-R44 PolarHBondContact O-N 3.38Å |
| 43 | P | 37.1 | Very low | 43.4 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 118.8 | -177.4 | 31.8 | -31.3 | 0 | 0 | 0 | 111 | ||
| 44 | R | 42.8 | Very low | 44.3 | Very low | 207 Ų | 207 | 124.9 Ų | 124.9 | 78% | 0.781 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 126.5 | 151.8 | -78.5 | -172.8 | 174.8 | -173.9 | -1.4 | 107.2 | R42 | R42-R44 PolarHBondContact O-N 3.38Š|
| 45 | R | 52.6 | Low | 45.2 | Very low | 215 Ų | 215 | 120.2 Ų | 120.2 | 81% | 0.811 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 147.8 | -169.8 | -66.9 | -178.1 | 176.1 | -143.1 | -0.6 | 112.6 | W47 C48 | R45-W47 PolarHBondContact O-N 3.46Å; R45-C48 PolarHBondContact O-N 3.09Å |
| 46 | Q | 46.8 | Very low | 45.8 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 62% | 0.621 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -40.9 | -32.7 | -176.4 | -162.4 | 69.1 | 18 | 0 | 0 | 115.5 | L49 N50 | Q46-L49 PolarHBondContact O-N 3.38Å; Q46-N50 VanDerWaalsContact O-CG 3.29Å; Q46-N50 PolarHBondContact O-N 3.42Å; Q46-N50 PolarHBondContact O-ND2 3.22Å |
| 47 | W | 45.4 | Very low | 46.8 | Very low | 183 Ų | 183 | 117.5 Ų | 117.5 | 69% | 0.693 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.9 | -44.2 | -179.2 | -115.3 | 78.4 | 0 | 0 | 0 | 113.7 | R45 L49 N50 V51 | R45-W47 PolarHBondContact O-N 3.46Å; W47-L49 VanDerWaalsContact C-N 3.26Å; W47-L49 PolarHBondContact O-N 3.48Å; W47-N50 PolarHBondContact O-N 3.32Å; W47-V51 HydrophobicContact CE3-CG2 4.26Å; W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 3.25Å |
| 48 | C | 50.4 | Low | 47.7 | Very low | 20 Ų | 20 | 115.6 Ų | 115.6 | 14% | 0.135 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -67.5 | -30.3 | 175.1 | -81.7 | 0 | 0 | 0 | 0 | 111.2 | R45 V51 I52 C131 | R45-C48 PolarHBondContact O-N 3.09Å; C48-V51 PolarHBondContact O-N 3.42Å; C48-I52 WeakPolarHBondContact O-CB 3.26Å; C48-I52 WeakPolarHBondContact O-CD1 3.37Å; C48-I52 WeakPolarHBondContact O-CG1 3.24Å; C48-I52 PolarHBondContact O-N 2.94Å; C48-C131 WeakPolarHBondContact CB-SG 3.37Å; C48-C131 WeakPolarHBondContact SG-CB 3.46Å; C48-C131 CovalentContact SG-SG 2.08Å; C48-C131 PolarHBondContact SG-SG 3.28Å |
| 49 | L | 54.4 | Low | 48.5 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 42% | 0.419 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -45.9 | 173.2 | -161.4 | 82.9 | 0 | 0 | 0 | 111 | Q46 W47 V51 I52 I53 | Q46-L49 PolarHBondContact O-N 3.38Å; W47-L49 VanDerWaalsContact C-N 3.26Å; W47-L49 PolarHBondContact O-N 3.48Å; L49-V51 PolarHBondContact O-N 3.39Å; L49-I52 PolarHBondContact O-N 3.01Å; L49-I53 HydrophobicContact CD2-CD1 4.34Å; L49-I53 HydrophobicContact CG-CD1 4.13Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.33Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.08Å |
| 50 | N | 52.6 | Low | 49.4 | Very low | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 176.5 | -70.1 | -20.7 | 0 | 0 | 0 | 112.5 | Q46 W47 I53 V54 | Q46-N50 VanDerWaalsContact O-CG 3.29Å; Q46-N50 PolarHBondContact O-N 3.42Å; Q46-N50 PolarHBondContact O-ND2 3.22Å; W47-N50 PolarHBondContact O-N 3.32Å; N50-I53 PolarHBondContact O-N 3.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.35Å; N50-V54 PolarHBondContact O-N 2.89Å |
| 51 | V | 52.8 | Low | 50.6 | Low | 48 Ų | 48 | 104.1 Ų | 104.1 | 29% | 0.291 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | W47 C48 L49 I53 V54 Y55 V127 | W47-V51 HydrophobicContact CE3-CG2 4.26Å; W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 3.25Å; C48-V51 PolarHBondContact O-N 3.42Å; L49-V51 PolarHBondContact O-N 3.39Å; V51-I53 VanDerWaalsContact C-N 3.34Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-Y55 WeakPolarHBondContact O-CB 3.36Å; V51-Y55 PolarHBondContact O-N 3.07Å; V51-V127 HydrophobicContact CG1-CG1 3.76Å; V51-V127 HydrophobicContact CG1-CG2 4.3Å |
| 52 | I | 54.6 | Low | 51.7 | Low | 79 Ų | 79 | 101.6 Ų | 101.6 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.9 | -69.9 | 165.7 | 0 | 0 | 0 | 110.5 | C48 L49 Y55 L56 | C48-I52 WeakPolarHBondContact O-CB 3.26Å; C48-I52 WeakPolarHBondContact O-CD1 3.37Å; C48-I52 WeakPolarHBondContact O-CG1 3.24Å; C48-I52 PolarHBondContact O-N 2.94Å; L49-I52 PolarHBondContact O-N 3.01Å; I52-Y55 PolarHBondContact O-N 3.42Å; I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.31Å; I52-L56 VanDerWaalsContact O-CG 3.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.94Å |
| 53 | I | 56.4 | Low | 52.6 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 177 | -70.1 | 163.5 | 0 | 0 | 0 | 110.8 | L49 N50 V51 Y55 L56 V57 | L49-I53 HydrophobicContact CD2-CD1 4.34Å; L49-I53 HydrophobicContact CG-CD1 4.13Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.33Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.08Å; N50-I53 PolarHBondContact O-N 3.4Å; V51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.17Å; I53-L56 PolarHBondContact O-N 3.49Å; I53-V57 HydrophobicContact CG2-CG2 4.44Å; I53-V57 VanDerWaalsContact O-CG2 3.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 2.93Å |
| 54 | V | 55.8 | Low | 53.5 | Low | 88 Ų | 88 | 90.7 Ų | 90.7 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | N50 V51 V57 L58 | N50-V54 WeakPolarHBondContact O-CG2 3.35Å; N50-V54 PolarHBondContact O-N 2.89Å; V51-V54 PolarHBondContact O-N 3.39Å; V54-V57 PolarHBondContact O-N 2.68Å; V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.29Å |
| 55 | Y | 55.5 | Low | 54.1 | Low | 43 Ų | 43 | 86.1 Ų | 86.1 | 17% | 0.169 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.6 | 177 | -95.4 | 0 | 0 | 0 | 112.3 | V51 I52 I53 L58 Q59 L120 D124 | V51-Y55 WeakPolarHBondContact O-CB 3.36Å; V51-Y55 PolarHBondContact O-N 3.07Å; I52-Y55 PolarHBondContact O-N 3.42Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.17Å; Y55-L58 PolarHBondContact O-N 3.07Å; Y55-Q59 WeakPolarHBondContact O-CB 3.06Å; Y55-Q59 PolarHBondContact O-N 2.91Å; Y55-L120 HydrophobicContact CE2-CD1 4.34Å; Y55-L120 HydrophobicContact CE2-CG 4.22Å; Y55-D124 HydrophobicContact CE2-CB 4.21Å |
| 56 | L | 53.3 | Low | 54 | Low | 96 Ų | 96 | 78.1 Ų | 78.1 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 178.1 | -69 | 172.3 | 0 | 0 | 0 | 112.4 | I52 I53 Q59 T60 | I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.31Å; I52-L56 VanDerWaalsContact O-CG 3.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.94Å; I53-L56 PolarHBondContact O-N 3.49Å; L56-Q59 PolarHBondContact O-N 3.24Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 2.67Å; L56-T60 PolarHBondContact O-OG1 3.28Å |
| 57 | V | 58.5 | Low | 54.3 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 174.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | I53 V54 Q59 T60 G61 | I53-V57 HydrophobicContact CG2-CG2 4.44Å; I53-V57 VanDerWaalsContact O-CG2 3.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 2.93Å; V54-V57 PolarHBondContact O-N 2.68Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.38Å; V57-T60 WeakPolarHBondContact CA-OG1 3.3Å; V57-T60 PolarHBondContact O-OG1 3.1Å; V57-G61 PolarHBondContact O-N 3.08Å |
| 58 | L | 53.6 | Low | 54.7 | Low | 104 Ų | 104 | 75.1 Ų | 75.1 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 175.2 | -71.4 | 170.1 | 0 | 0 | 0 | 111.6 | V54 Y55 G61 L62 | V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.29Å; Y55-L58 PolarHBondContact O-N 3.07Å; L58-G61 PolarHBondContact O-N 2.92Å; L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.49Å |
| 59 | Q | 57.5 | Low | 54.7 | Low | 52 Ų | 52 | 77.9 Ų | 77.9 | 24% | 0.243 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 179.3 | -175.6 | 65.1 | -16.8 | 0 | 0 | 112.9 | Y55 L56 V57 L62 N63 L120 | Y55-Q59 WeakPolarHBondContact O-CB 3.06Å; Y55-Q59 PolarHBondContact O-N 2.91Å; L56-Q59 PolarHBondContact O-N 3.24Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.38Å; Q59-L62 PolarHBondContact O-N 3.22Å; Q59-N63 PolarHBondContact O-N 3.15Å; Q59-N63 PolarHBondContact O-ND2 3.42Å; Q59-L120 VanDerWaalsContact OE1-CD1 3.25Å |
| 60 | T | 56.3 | Low | 54.5 | Low | 86 Ų | 86 | 78.6 Ų | 78.6 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | L56 V57 N63 A64 | L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 2.67Å; L56-T60 PolarHBondContact O-OG1 3.28Å; V57-T60 WeakPolarHBondContact CA-OG1 3.3Å; V57-T60 PolarHBondContact O-OG1 3.1Å; T60-N63 PolarHBondContact O-N 3.48Å; T60-A64 WeakPolarHBondContact O-CB 3.25Å; T60-A64 PolarHBondContact O-N 3.35Å |
| 61 | G | 58.4 | Low | 54.3 | Low | 41 Ų | 41 | 81.1 Ų | 81.1 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V57 L58 A64 F65 | V57-G61 PolarHBondContact O-N 3.08Å; L58-G61 PolarHBondContact O-N 2.92Å; G61-A64 PolarHBondContact O-N 2.93Å; G61-F65 WeakPolarHBondContact O-CB 3.45Å; G61-F65 PolarHBondContact O-N 3.37Å |
| 62 | L | 56.6 | Low | 54.2 | Low | 44 Ų | 44 | 81.2 Ų | 81.2 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.4 | -161.2 | 83.2 | 0 | 0 | 0 | 111.8 | L58 Q59 A64 F65 L66 L116 | L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.49Å; Q59-L62 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.47Å; L62-F65 PolarHBondContact O-N 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.42Å; L62-L116 HydrophobicContact CD1-CD2 3.88Å |
| 63 | N | 53.1 | Low | 53.8 | Low | 75 Ų | 75 | 80.3 Ų | 80.3 | 40% | 0.401 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.5 | -72.4 | -28.4 | 0 | 0 | 0 | 111.5 | Q59 T60 L66 I67 | Q59-N63 PolarHBondContact O-N 3.15Å; Q59-N63 PolarHBondContact O-ND2 3.42Å; T60-N63 PolarHBondContact O-N 3.48Å; N63-L66 PolarHBondContact O-N 2.85Å; N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 WeakPolarHBondContact O-CD1 3.4Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.46Å |
| 64 | A | 55.2 | Low | 53.1 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T60 G61 L62 I67 Y68 | T60-A64 WeakPolarHBondContact O-CB 3.25Å; T60-A64 PolarHBondContact O-N 3.35Å; G61-A64 PolarHBondContact O-N 2.93Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.47Å; A64-I67 PolarHBondContact O-N 2.79Å; A64-Y68 WeakPolarHBondContact O-CB 3.42Å; A64-Y68 PolarHBondContact O-N 3.16Å |
| 65 | F | 55.7 | Low | 52.5 | Low | 111 Ų | 111 | 80.5 Ų | 80.5 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.8 | 178.5 | -99.7 | 0 | 0 | 0 | 112.6 | G61 L62 Y68 K69 | G61-F65 WeakPolarHBondContact O-CB 3.45Å; G61-F65 PolarHBondContact O-N 3.37Å; L62-F65 PolarHBondContact O-N 3.23Å; F65-Y68 PolarHBondContact O-N 3.19Å; F65-K69 HydrophobicContact CE1-CD 4.46Å; F65-K69 HydrophobicContact CE1-CG 4.28Å; F65-K69 HydrophobicContact CZ-CD 4.47Å; F65-K69 HydrophobicContact CZ-CG 4.21Å; F65-K69 PolarHBondContact O-N 3.14Å |
| 66 | L | 51.2 | Low | 51.9 | Low | 47 Ų | 47 | 81.2 Ų | 81.2 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.7 | -71.9 | 172.8 | 0 | 0 | 0 | 111.4 | L62 N63 K69 V70 T113 | L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.42Å; N63-L66 PolarHBondContact O-N 2.85Å; L66-K69 PolarHBondContact O-N 2.8Å; L66-V70 VanDerWaalsContact O-CG2 3.32Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.24Å; L66-T113 HydrophobicContact CD1-CG2 4.28Å |
| 67 | I | 53.3 | Low | 51.4 | Low | 99 Ų | 99 | 80 Ų | 80 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.8 | -68.1 | 164.6 | 0 | 0 | 0 | 110.3 | N63 A64 K69 V70 F71 | N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 WeakPolarHBondContact O-CD1 3.4Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.46Å; A64-I67 PolarHBondContact O-N 2.79Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 3.49Å; I67-V70 PolarHBondContact O-N 2.85Å; I67-F71 HydrophobicContact CG2-CD2 3.74Å; I67-F71 HydrophobicContact CG2-CE2 3.91Å; I67-F71 WeakPolarHBondContact O-CD2 3.47Å; I67-F71 PolarHBondContact O-N 3.16Å |
| 68 | Y | 53.9 | Low | 50.7 | Low | 155 Ų | 155 | 80 Ų | 80 | 61% | 0.608 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 176.5 | 177.4 | -98.3 | 0 | 0 | 0 | 112.6 | A64 F65 F71 T72 | A64-Y68 WeakPolarHBondContact O-CB 3.42Å; A64-Y68 PolarHBondContact O-N 3.16Å; F65-Y68 PolarHBondContact O-N 3.19Å; Y68-F71 PolarHBondContact O-N 3.18Å; Y68-T72 HydrophobicContact CD1-CG2 4.25Å; Y68-T72 HydrophobicContact CD2-CG2 4.34Å; Y68-T72 HydrophobicContact CE1-CG2 3.78Å; Y68-T72 HydrophobicContact CE2-CG2 3.88Å; Y68-T72 WeakPolarHBondContact O-CB 3.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.31Å; Y68-T72 PolarHBondContact O-N 3.19Å; Y68-T72 PolarHBondContact O-OG1 2.68Å |
| 69 | K | 49.1 | Very low | 50.3 | Low | 78 Ų | 78 | 80.1 Ų | 80.1 | 34% | 0.339 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.4 | -95.2 | -137.1 | -179.7 | 178.9 | 0 | 112.4 | F65 L66 I67 F71 T72 L73 | F65-K69 HydrophobicContact CE1-CD 4.46Å; F65-K69 HydrophobicContact CE1-CG 4.28Å; F65-K69 HydrophobicContact CZ-CD 4.47Å; F65-K69 HydrophobicContact CZ-CG 4.21Å; F65-K69 PolarHBondContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 2.8Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 3.49Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.14Å; K69-T72 VanDerWaalsContact CA-OG1 3.3Å; K69-T72 WeakPolarHBondContact CA-OG1 3.24Å; K69-T72 PolarHBondContact O-N 3.44Å; K69-T72 PolarHBondContact O-OG1 3.04Å; K69-T72 VanDerWaalsContact O-OG1 3.06Å; K69-L73 WeakPolarHBondContact O-CB 3.4Å; K69-L73 VanDerWaalsContact O-CG 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.4Å; K69-L73 PolarHBondContact O-N 3.2Å |
| 70 | V | 51.6 | Low | 49.6 | Very low | 95 Ų | 95 | 86 Ų | 86 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L66 I67 L73 D74 | L66-V70 VanDerWaalsContact O-CG2 3.32Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.24Å; I67-V70 PolarHBondContact O-N 2.85Å; V70-L73 PolarHBondContact O-N 3.35Å; V70-D74 PolarHBondContact O-N 2.8Å |
| 71 | F | 48.3 | Very low | 49 | Very low | 128 Ų | 128 | 85 Ų | 85 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.1 | -35.6 | 177.7 | -91.7 | -80.1 | 0 | 0 | 0 | 114 | I67 Y68 K69 D74 S75 | I67-F71 HydrophobicContact CG2-CD2 3.74Å; I67-F71 HydrophobicContact CG2-CE2 3.91Å; I67-F71 WeakPolarHBondContact O-CD2 3.47Å; I67-F71 PolarHBondContact O-N 3.16Å; Y68-F71 PolarHBondContact O-N 3.18Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.14Å; F71-D74 PolarHBondContact O-N 2.67Å; F71-S75 WeakPolarHBondContact O-CB 3.39Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.83Å |
| 72 | T | 49.3 | Very low | 48.3 | Very low | 49 Ų | 49 | 87.9 Ų | 87.9 | 30% | 0.301 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.2 | -29.2 | 176.8 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | Y68 K69 S75 S76 | Y68-T72 HydrophobicContact CD1-CG2 4.25Å; Y68-T72 HydrophobicContact CD2-CG2 4.34Å; Y68-T72 HydrophobicContact CE1-CG2 3.78Å; Y68-T72 HydrophobicContact CE2-CG2 3.88Å; Y68-T72 WeakPolarHBondContact O-CB 3.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.31Å; Y68-T72 PolarHBondContact O-N 3.19Å; Y68-T72 PolarHBondContact O-OG1 2.68Å; K69-T72 VanDerWaalsContact CA-OG1 3.3Å; K69-T72 WeakPolarHBondContact CA-OG1 3.24Å; K69-T72 PolarHBondContact O-N 3.44Å; K69-T72 PolarHBondContact O-OG1 3.04Å; K69-T72 VanDerWaalsContact O-OG1 3.06Å; T72-S75 PolarHBondContact O-N 2.93Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 2.77Å |
| 73 | L | 47.4 | Very low | 47.3 | Very low | 60 Ų | 60 | 95.2 Ų | 95.2 | 31% | 0.314 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 169.5 | -71 | 175.2 | 0 | 0 | 0 | 112.3 | K69 V70 S75 S76 S77 L105 N109 | K69-L73 WeakPolarHBondContact O-CB 3.4Å; K69-L73 VanDerWaalsContact O-CG 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.4Å; K69-L73 PolarHBondContact O-N 3.2Å; V70-L73 PolarHBondContact O-N 3.35Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.8Å; L73-S76 WeakPolarHBondContact CA-OG 3.34Å; L73-S76 PolarHBondContact O-N 2.84Å; L73-S76 PolarHBondContact O-OG 3.18Å; L73-S77 PolarHBondContact O-N 2.68Å; L73-L105 HydrophobicContact CD1-CD2 3.62Å; L73-L105 HydrophobicContact CD2-CD2 3.25Å; L73-L105 HydrophobicContact CG-CD2 4.02Å; L73-N109 VanDerWaalsContact CD1-ND2 3.25Å; L73-N109 WeakPolarHBondContact CD1-ND2 3.36Å |
| 74 | D | 42.4 | Very low | 46.5 | Very low | 110 Ų | 110 | 101.2 Ų | 101.2 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -40.4 | 173.6 | -153.5 | 17.7 | 0 | 0 | 0 | 110.8 | V70 F71 S76 S77 | V70-D74 PolarHBondContact O-N 2.8Å; F71-D74 PolarHBondContact O-N 2.67Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 PolarHBondContact O-N 2.96Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.43Å; D74-S77 PolarHBondContact O-OG 3.2Å |
| 75 | S | 42.7 | Very low | 45.4 | Very low | 68 Ų | 68 | 107.6 Ų | 107.6 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.4 | -25 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | F71 T72 L73 S78 | F71-S75 WeakPolarHBondContact O-CB 3.39Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.83Å; T72-S75 PolarHBondContact O-N 2.93Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.8Å; S75-S78 PolarHBondContact O-OG 2.89Å |
| 76 | S | 41.8 | Very low | 44.4 | Very low | 58 Ų | 58 | 108.8 Ų | 108.8 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -87.9 | -13.9 | 176.8 | 34 | 0 | 0 | 0 | 0 | 113.2 | T72 L73 D74 S78 T79 | T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 2.77Å; L73-S76 WeakPolarHBondContact CA-OG 3.34Å; L73-S76 PolarHBondContact O-N 2.84Å; L73-S76 PolarHBondContact O-OG 3.18Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 PolarHBondContact O-N 2.96Å; S76-S78 VanDerWaalsContact C-N 3.28Å; S76-T79 CarbonylContact O-C 3.56Å; S76-T79 PolarHBondContact O-N 3.2Å |
| 77 | S | 43.2 | Very low | 43.6 | Very low | 69 Ų | 69 | 112.1 Ų | 112.1 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.5 | -26.3 | 165.3 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | L73 D74 | L73-S77 PolarHBondContact O-N 2.68Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.43Å; D74-S77 PolarHBondContact O-OG 3.2Å |
| 78 | S | 43.6 | Very low | 42.9 | Very low | 92 Ų | 92 | 115.1 Ų | 115.1 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -5.5 | 175.1 | 38.7 | 0 | 0 | 0 | 0 | 115.1 | S75 S76 | S75-S78 PolarHBondContact O-OG 2.89Å; S76-S78 VanDerWaalsContact C-N 3.28Å |
| 79 | T | 44.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | trans | -138.4 | 67.3 | 174.5 | 54.7 | 0 | 0 | 0 | 0 | 111 | S76 G81 | S76-T79 CarbonylContact O-C 3.56Å; S76-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 2.74Å | ||
| 80 | L | 43.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | -71.8 | 81.1 | 160.7 | -107.1 | 114.2 | 0 | 0 | 0 | 109 | ||||
| 81 | G | 44 | Very low | 40.2 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | trans | -145.9 | 83.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | T79 | T79-G81 PolarHBondContact O-N 2.74Š| ||
| 82 | A | 44.3 | Very low | 39.7 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | trans | 64.8 | 96.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 83 | Q | 34.4 | Very low | 39.2 | Very low | 198 Ų | 198 | 126 Ų | 126 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -147 | 126.1 | 133.8 | -115.7 | 176.8 | -5.9 | 0 | 0 | 111.6 | Q85 | Q83-Q85 PolarHBondContact O-N 2.83Š| ||
| 84 | K | 36 | Very low | 39 | Very low | 200 Ų | 200 | 126.6 Ų | 126.6 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | -74.4 | 113.3 | -167 | -162.8 | 175.3 | -174.1 | -179.1 | 0 | 109.9 | T86 | K84-T86 PolarHBondContact O-N 3.47Š| ||
| 85 | Q | 32.4 | Very low | 39 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 122.1 | 168.5 | -80.4 | 180 | -29.8 | 0 | 0 | 109.8 | Q83 | Q83-Q85 PolarHBondContact O-N 2.83Š| ||
| 86 | T | 35.9 | Very low | 39.1 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 97.4 | 162 | 53.5 | 0 | 0 | 0 | 0 | 108.3 | K84 | K84-T86 PolarHBondContact O-N 3.47Š| ||
| 87 | S | 32.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -160.7 | 132.6 | 150.2 | -160.9 | 0 | 0 | 0 | 0 | 111.1 | H89 | S87-H89 PolarHBondContact O-N 2.98Š| ||
| 88 | N | 40.4 | Very low | 39.8 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -65.5 | 106.2 | -176 | -73.8 | -32.5 | 0 | 0 | 0 | 112.3 | ||
| 89 | H | 33.1 | Very low | 39.9 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 167.3 | 115.8 | 130.4 | -111.8 | 36.3 | 0 | 0 | 0 | 109.2 | S87 | S87-H89 PolarHBondContact O-N 2.98Š| ||
| 90 | I | 30.4 | Very low | 40.1 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -107.2 | 120 | 172.3 | -61.1 | 171.8 | 0 | 0 | 0 | 107 | ||||
| 91 | P | 33.1 | Very low | 40.5 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -80.3 | 131.8 | 149.3 | 11.3 | 6.2 | 0 | 0 | 0 | 108.6 | ||||
| 92 | Q | 38.7 | Very low | 40.5 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -69.2 | 134 | 179.5 | -66 | -172.2 | -5.3 | 0 | 0 | 111.4 | ||||
| 93 | G | 39.4 | Very low | 40.6 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 131.2 | 104.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 94 | G | 42.2 | Very low | 41.5 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 71% | 0.706 | S | S | * | * | trans | 98 | 121.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 95 | E | 41.9 | Very low | 41.9 | Very low | 192 Ų | 192 | 117.4 Ų | 117.4 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.9 | 166.3 | -74.5 | -175.7 | 131.6 | 0 | 0 | 108.7 | S97 | E95-S97 PolarHBondContact O-N 2.86Š|
| 96 | P | 45 | Very low | 42.7 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 58% | 0.584 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 122.5 | 176.4 | 25.9 | -29.6 | 0 | 0 | 0 | 107.5 | D100 | P96-D100 HydrophobicContact CB-CB 4.37Š|
| 97 | S | 51.7 | Low | 43.3 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 51% | 0.51 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 148.6 | 170.4 | 78.5 | 0 | 0 | 0 | 0 | 108.9 | E95 D99 D100 | E95-S97 PolarHBondContact O-N 2.86Å; S97-D99 PolarHBondContact O-N 2.79Å; S97-D100 PolarHBondContact O-N 3.14Å |
| 98 | G | 49.3 | Very low | 44 | Very low | 57 Ų | 57 | 112.5 Ų | 112.5 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.1 | -21 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L102 | G98-L102 PolarHBondContact O-N 3.12Å |
| 99 | D | 45.1 | Very low | 44.4 | Very low | 107 Ų | 107 | 106.6 Ų | 106.6 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.5 | -38.2 | 178.1 | -147 | 12.8 | 0 | 0 | 0 | 113.2 | S97 T101 L102 Q103 | S97-D99 PolarHBondContact O-N 2.79Å; D99-T101 VanDerWaalsContact C-N 3.34Å; D99-T101 PolarHBondContact O-N 3.38Å; D99-L102 PolarHBondContact O-N 2.87Å; D99-Q103 WeakPolarHBondContact O-CB 3.2Å; D99-Q103 WeakPolarHBondContact O-CG 3.32Å; D99-Q103 PolarHBondContact O-N 2.91Å |
| 100 | D | 48.6 | Very low | 45.1 | Very low | 100 Ų | 100 | 100 Ų | 100 | 54% | 0.535 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.1 | -33 | 178.3 | -96.6 | -23.5 | 0 | 0 | 0 | 112.4 | P96 S97 T104 | P96-D100 HydrophobicContact CB-CB 4.37Å; S97-D100 PolarHBondContact O-N 3.14Å; D100-T104 WeakPolarHBondContact O-CB 3.5Å; D100-T104 PolarHBondContact O-N 3.05Å; D100-T104 PolarHBondContact O-OG1 3.24Å |
| 101 | T | 51.7 | Low | 45.9 | Very low | 70 Ų | 70 | 97.2 Ų | 97.2 | 43% | 0.429 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.9 | -41.2 | 176.2 | -45.4 | 0 | 0 | 0 | 0 | 110.3 | D99 T104 L105 | D99-T101 VanDerWaalsContact C-N 3.34Å; D99-T101 PolarHBondContact O-N 3.38Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-L105 HydrophobicContact CG2-CD1 4.22Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 PolarHBondContact O-N 3.49Å |
| 102 | L | 44.6 | Very low | 46.6 | Very low | 103 Ų | 103 | 96.7 Ų | 96.7 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -45.6 | 174.4 | -118.3 | 126.9 | 0 | 0 | 0 | 111.9 | G98 D99 T104 L105 V106 | G98-L102 PolarHBondContact O-N 3.12Å; D99-L102 PolarHBondContact O-N 2.87Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 3.19Å; L102-L105 PolarHBondContact O-N 3.11Å; L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.39Å |
| 103 | Q | 47.1 | Very low | 46.9 | Very low | 121 Ų | 121 | 89.1 Ų | 89.1 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -42.3 | 175.8 | -73.2 | -91.2 | -1.6 | 0 | 0 | 111.7 | D99 V106 R107 | D99-Q103 WeakPolarHBondContact O-CB 3.2Å; D99-Q103 WeakPolarHBondContact O-CG 3.32Å; D99-Q103 PolarHBondContact O-N 2.91Å; Q103-V106 PolarHBondContact O-N 3.33Å; Q103-R107 VanDerWaalsContact O-CB 3.27Å; Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 PolarHBondContact O-N 3.46Å |
| 104 | T | 52.3 | Low | 47.3 | Very low | 66 Ų | 66 | 91 Ų | 91 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 112 | D100 T101 L102 R107 N108 | D100-T104 WeakPolarHBondContact O-CB 3.5Å; D100-T104 PolarHBondContact O-N 3.05Å; D100-T104 PolarHBondContact O-OG1 3.24Å; T101-T104 PolarHBondContact O-N 3.39Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 3.19Å; T104-R107 PolarHBondContact O-N 3.46Å; T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 VanDerWaalsContact O-CG 3.27Å; T104-N108 PolarHBondContact O-N 3.24Å |
| 105 | L | 45.4 | Very low | 47.7 | Very low | 72 Ų | 72 | 91.3 Ų | 91.3 | 38% | 0.377 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 175 | -105.9 | 120.2 | 0 | 0 | 0 | 113 | L73 T101 L102 R107 N108 N109 | L73-L105 HydrophobicContact CD1-CD2 3.62Å; L73-L105 HydrophobicContact CD2-CD2 3.25Å; L73-L105 HydrophobicContact CG-CD2 4.02Å; T101-L105 HydrophobicContact CG2-CD1 4.22Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 3.11Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-N108 PolarHBondContact O-N 3.07Å; L105-N109 WeakPolarHBondContact O-CB 3.33Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-ND2 3.02Å |
| 106 | V | 48.1 | Very low | 48 | Very low | 89 Ų | 89 | 85.3 Ų | 85.3 | 54% | 0.539 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | L102 Q103 S110 | L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.39Å; Q103-V106 PolarHBondContact O-N 3.33Å; V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 2.87Å |
| 107 | R | 48.6 | Very low | 48.2 | Very low | 164 Ų | 164 | 89.6 Ų | 89.6 | 62% | 0.619 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 177 | -165.7 | 179 | 71.9 | 162.6 | 1.5 | 112.5 | Q103 T104 L105 S110 E111 | Q103-R107 VanDerWaalsContact O-CB 3.27Å; Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 PolarHBondContact O-N 3.46Å; T104-R107 PolarHBondContact O-N 3.46Å; L105-R107 VanDerWaalsContact C-N 3.34Å; R107-S110 WeakPolarHBondContact O-CB 3.13Å; R107-S110 PolarHBondContact O-N 3.39Å; R107-E111 PolarHBondContact O-N 2.75Å; R107-E111 VanDerWaalsContact O-N 3.17Å |
| 108 | N | 48.1 | Very low | 48.3 | Very low | 91 Ų | 91 | 88 Ų | 88 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 177.6 | -70.6 | -11.1 | 0 | 0 | 0 | 112.1 | T104 L105 S110 E111 E112 | T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 VanDerWaalsContact O-CG 3.27Å; T104-N108 PolarHBondContact O-N 3.24Å; L105-N108 PolarHBondContact O-N 3.07Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.04Å; N108-E111 PolarHBondContact O-N 3.2Å; N108-E112 PolarHBondContact O-N 3.14Å; N108-E112 VanDerWaalsContact O-N 3.16Å |
| 109 | N | 48.8 | Very low | 48.4 | Very low | 38 Ų | 38 | 91.2 Ų | 91.2 | 20% | 0.203 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 171.3 | -85.5 | -38.2 | 0 | 0 | 0 | 111.5 | L73 L105 T113 | L73-N109 VanDerWaalsContact CD1-ND2 3.25Å; L73-N109 WeakPolarHBondContact CD1-ND2 3.36Å; L105-N109 WeakPolarHBondContact O-CB 3.33Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-ND2 3.02Å; N109-T113 WeakPolarHBondContact O-CB 3.31Å; N109-T113 PolarHBondContact O-N 3.39Å; N109-T113 PolarHBondContact O-OG1 3.42Å |
| 110 | S | 47.4 | Very low | 48.5 | Very low | 47 Ų | 47 | 87.6 Ų | 87.6 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.1 | 158.2 | 0 | 0 | 0 | 0 | 112.5 | V106 R107 N108 K114 | V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 2.87Å; R107-S110 WeakPolarHBondContact O-CB 3.13Å; R107-S110 PolarHBondContact O-N 3.39Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.04Å; S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.22Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3Å |
| 111 | E | 47.3 | Very low | 48.6 | Very low | 96 Ų | 96 | 91.6 Ų | 91.6 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.1 | -38.9 | -179.8 | -68.4 | -56.8 | 127.8 | 0 | 0 | 113 | R107 N108 K114 T115 | R107-E111 PolarHBondContact O-N 2.75Å; R107-E111 VanDerWaalsContact O-N 3.17Å; N108-E111 PolarHBondContact O-N 3.2Å; E111-K114 PolarHBondContact O-N 2.85Å; E111-K114 IonicContact OE1-NZ 3.46Å; E111-K114 PolarHBondContact OE1-NZ 3.1Å; E111-T115 PolarHBondContact O-N 2.79Å; E111-T115 PolarHBondContact O-OG1 2.89Å |
| 112 | E | 46.7 | Very low | 48.7 | Very low | 110 Ų | 110 | 90.1 Ų | 90.1 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 172 | -72.9 | -174.1 | 164.3 | 0 | 0 | 111.7 | N108 T115 L116 | N108-E112 PolarHBondContact O-N 3.14Å; N108-E112 VanDerWaalsContact O-N 3.16Å; E112-T115 PolarHBondContact O-N 2.83Å; E112-L116 PolarHBondContact O-N 2.74Å |
| 113 | T | 46.7 | Very low | 49 | Very low | 32 Ų | 32 | 88.7 Ų | 88.7 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.6 | -33 | 177.6 | -50.8 | 0 | 0 | 0 | 0 | 112 | L66 N109 R117 | L66-T113 HydrophobicContact CD1-CG2 4.28Å; N109-T113 WeakPolarHBondContact O-CB 3.31Å; N109-T113 PolarHBondContact O-N 3.39Å; N109-T113 PolarHBondContact O-OG1 3.42Å; T113-R117 WeakPolarHBondContact O-CB 3.49Å; T113-R117 PolarHBondContact O-N 2.88Å |
| 114 | K | 48 | Very low | 49.2 | Very low | 119 Ų | 119 | 84.7 Ų | 84.7 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 171.6 | -78.7 | 172.4 | -170 | 173 | 0 | 111.6 | S110 E111 R117 G118 | S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.22Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3Å; E111-K114 PolarHBondContact O-N 2.85Å; E111-K114 IonicContact OE1-NZ 3.46Å; E111-K114 PolarHBondContact OE1-NZ 3.1Å; K114-R117 PolarHBondContact O-N 3.21Å; K114-G118 PolarHBondContact O-N 2.89Å |
| 115 | T | 50.5 | Low | 49.3 | Very low | 81 Ų | 81 | 83.8 Ų | 83.8 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | E111 E112 G118 Q119 | E111-T115 PolarHBondContact O-N 2.79Å; E111-T115 PolarHBondContact O-OG1 2.89Å; E112-T115 PolarHBondContact O-N 2.83Å; T115-G118 PolarHBondContact O-N 2.84Å; T115-Q119 WeakPolarHBondContact O-CG 3.42Å; T115-Q119 PolarHBondContact O-N 3.02Å |
| 116 | L | 46.3 | Very low | 49.6 | Very low | 65 Ų | 65 | 85.7 Ų | 85.7 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 175.4 | -90.4 | 149.3 | 0 | 0 | 0 | 112.9 | L62 E112 G118 Q119 L120 | L62-L116 HydrophobicContact CD1-CD2 3.88Å; E112-L116 PolarHBondContact O-N 2.74Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 3.19Å; L116-Q119 PolarHBondContact O-N 2.91Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.94Å |
| 117 | R | 50.7 | Low | 49.9 | Very low | 181 Ų | 181 | 82.8 Ų | 82.8 | 68% | 0.683 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.4 | -36.7 | 174.9 | -168 | 179.3 | -62.1 | -173 | 0.6 | 111.7 | T113 K114 W121 | T113-R117 WeakPolarHBondContact O-CB 3.49Å; T113-R117 PolarHBondContact O-N 2.88Å; K114-R117 PolarHBondContact O-N 3.21Å; R117-W121 WeakPolarHBondContact O-CB 3.31Å; R117-W121 PolarHBondContact O-N 3.22Å |
| 118 | G | 54 | Low | 50.2 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K114 T115 L116 L120 W121 A122 | K114-G118 PolarHBondContact O-N 2.89Å; T115-G118 PolarHBondContact O-N 2.84Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 3.19Å; G118-L120 VanDerWaalsContact C-N 3.34Å; G118-L120 PolarHBondContact O-N 2.04Å; G118-W121 PolarHBondContact O-N 2.72Å; G118-A122 WeakPolarHBondContact O-CB 2.99Å; G118-A122 PolarHBondContact O-N 3.07Å |
| 119 | Q | 50 | Low | 50.6 | Low | 124 Ų | 124 | 80.8 Ų | 80.8 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.1 | -39.8 | 175.5 | -74.9 | 177.3 | -18.9 | 0 | 0 | 112.1 | T115 L116 A122 L123 | T115-Q119 WeakPolarHBondContact O-CG 3.42Å; T115-Q119 PolarHBondContact O-N 3.02Å; L116-Q119 PolarHBondContact O-N 2.91Å; Q119-A122 PolarHBondContact O-N 3.34Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 3.19Å |
| 120 | L | 47.5 | Very low | 50.6 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 177.8 | -166.6 | 99.9 | 0 | 0 | 0 | 112.6 | Y55 Q59 L116 G118 L123 D124 | Y55-L120 HydrophobicContact CE2-CD1 4.34Å; Y55-L120 HydrophobicContact CE2-CG 4.22Å; Q59-L120 VanDerWaalsContact OE1-CD1 3.25Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.94Å; G118-L120 VanDerWaalsContact C-N 3.34Å; G118-L120 PolarHBondContact O-N 2.04Å; L120-L123 PolarHBondContact O-N 3.34Å; L120-D124 WeakPolarHBondContact O-CB 3.4Å; L120-D124 PolarHBondContact O-N 2.83Å |
| 121 | W | 51.5 | Low | 50.8 | Low | 184 Ų | 184 | 83.3 Ų | 83.3 | 70% | 0.697 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 172.8 | -174.5 | 80.3 | 0 | 0 | 0 | 111.7 | R117 G118 L123 D124 S125 | R117-W121 WeakPolarHBondContact O-CB 3.31Å; R117-W121 PolarHBondContact O-N 3.22Å; G118-W121 PolarHBondContact O-N 2.72Å; W121-L123 VanDerWaalsContact C-N 3.33Å; W121-D124 PolarHBondContact O-N 3.46Å; W121-S125 PolarHBondContact O-N 3.05Å |
| 122 | A | 53.8 | Low | 51.1 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | G118 Q119 S125 Q126 | G118-A122 WeakPolarHBondContact O-CB 2.99Å; G118-A122 PolarHBondContact O-N 3.07Å; Q119-A122 PolarHBondContact O-N 3.34Å; A122-S125 PolarHBondContact O-N 2.93Å; A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 VanDerWaalsContact O-CG 3.28Å; A122-Q126 WeakPolarHBondContact O-CG 3.05Å; A122-Q126 PolarHBondContact O-N 3.24Å |
| 123 | L | 49.5 | Very low | 51 | Low | 73 Ų | 73 | 82 Ų | 82 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.4 | -159.5 | 77.6 | 0 | 0 | 0 | 112.1 | Q119 L120 W121 S125 Q126 V127 | Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 3.19Å; L120-L123 PolarHBondContact O-N 3.34Å; W121-L123 VanDerWaalsContact C-N 3.33Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; L123-Q126 PolarHBondContact O-N 3Å; L123-V127 WeakPolarHBondContact O-CB 3.47Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.07Å |
| 124 | D | 51.7 | Low | 51.1 | Low | 36 Ų | 36 | 85.5 Ų | 85.5 | 19% | 0.193 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 173 | 176.5 | 65.2 | 0 | 0 | 0 | 111.4 | Y55 L120 W121 V127 K128 | Y55-D124 HydrophobicContact CE2-CB 4.21Å; L120-D124 WeakPolarHBondContact O-CB 3.4Å; L120-D124 PolarHBondContact O-N 2.83Å; W121-D124 PolarHBondContact O-N 3.46Å; D124-V127 PolarHBondContact O-N 3.11Å; D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-K128 WeakPolarHBondContact OD1-CE 3.02Å; D124-K128 IonicContact OD1-NZ 2.74Å; D124-K128 PolarHBondContact OD1-NZ 3.44Å; D124-K128 VanDerWaalsContact OD2-CE 3.28Å; D124-K128 WeakPolarHBondContact OD2-CE 3.37Å; D124-K128 IonicContact OD2-NZ 3.49Å; D124-K128 PolarHBondContact OD2-NZ 2.92Å |
| 125 | S | 54.6 | Low | 51.3 | Low | 47 Ų | 47 | 81.2 Ų | 81.2 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | W121 A122 L123 K128 N129 | W121-S125 PolarHBondContact O-N 3.05Å; A122-S125 PolarHBondContact O-N 2.93Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; S125-K128 PolarHBondContact O-N 2.99Å; S125-N129 WeakPolarHBondContact O-CB 3.38Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.12Å |
| 126 | Q | 52 | Low | 51 | Low | 112 Ų | 112 | 82.7 Ų | 82.7 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 176.3 | -75.8 | 176 | 11.8 | 0 | 0 | 112.1 | A122 L123 N129 L130 | A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 VanDerWaalsContact O-CG 3.28Å; A122-Q126 WeakPolarHBondContact O-CG 3.05Å; A122-Q126 PolarHBondContact O-N 3.24Å; L123-Q126 PolarHBondContact O-N 3Å; Q126-N129 PolarHBondContact O-N 2.97Å; Q126-L130 WeakPolarHBondContact O-CB 3.45Å; Q126-L130 WeakPolarHBondContact O-CD1 3.35Å; Q126-L130 WeakPolarHBondContact O-CG 3.36Å; Q126-L130 PolarHBondContact O-N 2.93Å |
| 127 | V | 53.8 | Low | 50.9 | Low | 29 Ų | 29 | 84.4 Ų | 84.4 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | V51 L123 D124 N129 L130 C131 | V51-V127 HydrophobicContact CG1-CG1 3.76Å; V51-V127 HydrophobicContact CG1-CG2 4.3Å; L123-V127 WeakPolarHBondContact O-CB 3.47Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.07Å; D124-V127 PolarHBondContact O-N 3.11Å; V127-N129 VanDerWaalsContact C-N 3.33Å; V127-L130 PolarHBondContact O-N 2.62Å; V127-C131 WeakPolarHBondContact O-CB 3.41Å; V127-C131 PolarHBondContact O-N 2.77Å |
| 128 | K | 54.9 | Low | 50.8 | Low | 124 Ų | 124 | 77.7 Ų | 77.7 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.3 | -77.3 | 169.7 | 179.3 | 167.2 | 0 | 111.9 | D124 S125 A132 | D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-K128 WeakPolarHBondContact OD1-CE 3.02Å; D124-K128 IonicContact OD1-NZ 2.74Å; D124-K128 PolarHBondContact OD1-NZ 3.44Å; D124-K128 VanDerWaalsContact OD2-CE 3.28Å; D124-K128 WeakPolarHBondContact OD2-CE 3.37Å; D124-K128 IonicContact OD2-NZ 3.49Å; D124-K128 PolarHBondContact OD2-NZ 2.92Å; S125-K128 PolarHBondContact O-N 2.99Å; K128-A132 VanDerWaalsContact O-CB 3.24Å; K128-A132 WeakPolarHBondContact O-CB 3.5Å; K128-A132 PolarHBondContact O-N 2.92Å; K128-A132 VanDerWaalsContact O-N 3.12Å |
| 129 | N | 56.5 | Low | 50.6 | Low | 88 Ų | 88 | 83 Ų | 83 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.3 | -42.9 | 176.9 | -70.2 | -11 | 0 | 0 | 0 | 112.1 | S125 Q126 V127 A132 E133 | S125-N129 WeakPolarHBondContact O-CB 3.38Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.12Å; Q126-N129 PolarHBondContact O-N 2.97Å; V127-N129 VanDerWaalsContact C-N 3.33Å; N129-A132 CarbonylContact O-C 3.58Å; N129-A132 WeakPolarHBondContact O-CA 3.24Å; N129-A132 WeakPolarHBondContact O-CB 3.27Å; N129-A132 PolarHBondContact O-N 3.44Å; N129-E133 WeakPolarHBondContact O-CB 3.27Å; N129-E133 PolarHBondContact O-N 3.42Å |
| 130 | L | 48.5 | Very low | 50.2 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 176 | -82.5 | 157.5 | 0 | 0 | 0 | 112.2 | Q126 V127 A132 E134 | Q126-L130 WeakPolarHBondContact O-CB 3.45Å; Q126-L130 WeakPolarHBondContact O-CD1 3.35Å; Q126-L130 WeakPolarHBondContact O-CG 3.36Å; Q126-L130 PolarHBondContact O-N 2.93Å; V127-L130 PolarHBondContact O-N 2.62Å; L130-A132 PolarHBondContact O-N 3.33Å; L130-E134 WeakPolarHBondContact O-CB 3.41Å; L130-E134 WeakPolarHBondContact O-CG 3.26Å; L130-E134 PolarHBondContact O-N 3.36Å |
| 131 | C | 52.6 | Low | 50.3 | Low | 34 Ų | 34 | 89.6 Ų | 89.6 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70 | -17.2 | 174.4 | -85 | 0 | 0 | 0 | 0 | 112.9 | C48 V127 | C48-C131 WeakPolarHBondContact CB-SG 3.37Å; C48-C131 WeakPolarHBondContact SG-CB 3.46Å; C48-C131 CovalentContact SG-SG 2.08Å; C48-C131 PolarHBondContact SG-SG 3.28Å; V127-C131 WeakPolarHBondContact O-CB 3.41Å; V127-C131 PolarHBondContact O-N 2.77Å |
| 132 | A | 52.6 | Low | 50.3 | Low | 55 Ų | 55 | 83.6 Ų | 83.6 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -86.5 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K128 N129 L130 G135 Q136 | K128-A132 VanDerWaalsContact O-CB 3.24Å; K128-A132 WeakPolarHBondContact O-CB 3.5Å; K128-A132 PolarHBondContact O-N 2.92Å; K128-A132 VanDerWaalsContact O-N 3.12Å; N129-A132 CarbonylContact O-C 3.58Å; N129-A132 WeakPolarHBondContact O-CA 3.24Å; N129-A132 WeakPolarHBondContact O-CB 3.27Å; N129-A132 PolarHBondContact O-N 3.44Å; L130-A132 PolarHBondContact O-N 3.33Å; A132-G135 PolarHBondContact O-N 2.95Å; A132-Q136 PolarHBondContact O-N 2.08Å |
| 133 | E | 45.8 | Very low | 50.1 | Low | 123 Ų | 123 | 85.3 Ų | 85.3 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.1 | -34.2 | 176 | -75.2 | -177.7 | 172.7 | 0 | 0 | 111.9 | N129 G135 Q136 L137 | N129-E133 WeakPolarHBondContact O-CB 3.27Å; N129-E133 PolarHBondContact O-N 3.42Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.39Å; E133-Q136 CarbonylContact O-C 3.43Å; E133-Q136 WeakPolarHBondContact O-CA 3.43Å; E133-Q136 VanDerWaalsContact O-CB 3.3Å; E133-Q136 WeakPolarHBondContact O-CB 3.19Å; E133-Q136 PolarHBondContact O-N 3.46Å; E133-L137 PolarHBondContact O-N 2.96Å |
| 134 | E | 47.5 | Very low | 50.1 | Low | 107 Ų | 107 | 87.4 Ų | 87.4 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68 | -26.8 | 171.1 | -79 | -149.2 | 153.4 | 0 | 0 | 112.9 | L130 Q136 L137 G138 | L130-E134 WeakPolarHBondContact O-CB 3.41Å; L130-E134 WeakPolarHBondContact O-CG 3.26Å; L130-E134 PolarHBondContact O-N 3.36Å; E134-Q136 PolarHBondContact O-N 3.41Å; E134-L137 PolarHBondContact O-N 3.32Å; E134-G138 PolarHBondContact O-N 2.98Å |
| 135 | G | 52.9 | Low | 50.3 | Low | 29 Ų | 29 | 92.4 Ų | 92.4 | 30% | 0.299 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A132 E133 R139 | A132-G135 PolarHBondContact O-N 2.95Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.39Å; G135-R139 WeakPolarHBondContact O-CB 3.14Å; G135-R139 VanDerWaalsContact O-CG 3.26Å; G135-R139 WeakPolarHBondContact O-CG 3.46Å; G135-R139 PolarHBondContact O-N 3.24Å; G135-R139 PolarHBondContact O-NE 2.76Å |
| 136 | Q | 45.1 | Very low | 50 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.5 | -41.8 | 172.1 | -62.8 | -179.2 | -23.8 | 0 | 0 | 111.7 | A132 E133 E134 G138 R139 M140 | A132-Q136 PolarHBondContact O-N 2.08Å; E133-Q136 CarbonylContact O-C 3.43Å; E133-Q136 WeakPolarHBondContact O-CA 3.43Å; E133-Q136 VanDerWaalsContact O-CB 3.3Å; E133-Q136 WeakPolarHBondContact O-CB 3.19Å; E133-Q136 PolarHBondContact O-N 3.46Å; E134-Q136 PolarHBondContact O-N 3.41Å; Q136-G138 PolarHBondContact O-N 3.42Å; Q136-R139 PolarHBondContact O-N 2.77Å; Q136-M140 WeakPolarHBondContact O-CB 3.42Å; Q136-M140 VanDerWaalsContact O-CG 3.25Å; Q136-M140 WeakPolarHBondContact O-CG 3.19Å; Q136-M140 PolarHBondContact O-N 3.27Å |
| 137 | L | 42.9 | Very low | 50 | Low | 101 Ų | 101 | 95.8 Ų | 95.8 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 177 | -164.8 | 72.1 | 0 | 0 | 0 | 112.7 | E133 E134 M140 R141 | E133-L137 PolarHBondContact O-N 2.96Å; E134-L137 PolarHBondContact O-N 3.32Å; L137-M140 HydrophobicContact CB-CE 4.38Å; L137-M140 HydrophobicContact CD1-CE 3.9Å; L137-R141 VanDerWaalsContact O-CB 3.25Å; L137-R141 WeakPolarHBondContact O-CB 3.37Å; L137-R141 PolarHBondContact O-N 3.21Å |
| 138 | G | 49.3 | Very low | 50.1 | Low | 41 Ų | 41 | 98.4 Ų | 98.4 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E134 Q136 S142 | E134-G138 PolarHBondContact O-N 2.98Å; Q136-G138 PolarHBondContact O-N 3.42Å; G138-S142 WeakPolarHBondContact O-CB 3.25Å; G138-S142 PolarHBondContact O-N 3.38Å |
| 139 | R | 50.5 | Low | 50.2 | Low | 150 Ų | 150 | 95.9 Ų | 95.9 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -54.8 | 169.5 | -82.1 | -176.1 | -74.8 | -116.5 | 0.5 | 110.6 | G135 Q136 R141 S142 D143 | G135-R139 WeakPolarHBondContact O-CB 3.14Å; G135-R139 VanDerWaalsContact O-CG 3.26Å; G135-R139 WeakPolarHBondContact O-CG 3.46Å; G135-R139 PolarHBondContact O-N 3.24Å; G135-R139 PolarHBondContact O-NE 2.76Å; Q136-R139 PolarHBondContact O-N 2.77Å; R139-R141 VanDerWaalsContact C-N 3.25Å; R139-R141 PolarHBondContact O-N 3.31Å; R139-R141 VanDerWaalsContact O-N 3.14Å; R139-S142 CarbonylContact O-C 3.57Å; R139-S142 WeakPolarHBondContact O-CA 3.36Å; R139-S142 VanDerWaalsContact O-CB 3.32Å; R139-S142 WeakPolarHBondContact O-CB 3.37Å; R139-S142 PolarHBondContact O-N 3.47Å; R139-D143 VanDerWaalsContact C-OD2 3.3Å; R139-D143 WeakPolarHBondContact O-CB 3.49Å; R139-D143 PolarHBondContact O-N 2.94Å; R139-D143 VanDerWaalsContact O-OD2 3.1Å |
| 140 | M | 41.1 | Very low | 50.3 | Low | 110 Ų | 110 | 95.3 Ų | 95.3 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -54.4 | -37.7 | 176.2 | -72.8 | -172.1 | -65.6 | 0 | 0 | 113 | Q136 L137 L144 | Q136-M140 WeakPolarHBondContact O-CB 3.42Å; Q136-M140 VanDerWaalsContact O-CG 3.25Å; Q136-M140 WeakPolarHBondContact O-CG 3.19Å; Q136-M140 PolarHBondContact O-N 3.27Å; L137-M140 HydrophobicContact CB-CE 4.38Å; L137-M140 HydrophobicContact CD1-CE 3.9Å; M140-L144 WeakPolarHBondContact O-CB 3.47Å; M140-L144 PolarHBondContact O-N 3.38Å |
| 141 | R | 49.6 | Very low | 50.6 | Low | 183 Ų | 183 | 92.5 Ų | 92.5 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.9 | -29.5 | 176.6 | -162.3 | 172.5 | -169.5 | 168.4 | 3 | 112.8 | L137 R139 K145 | L137-R141 VanDerWaalsContact O-CB 3.25Å; L137-R141 WeakPolarHBondContact O-CB 3.37Å; L137-R141 PolarHBondContact O-N 3.21Å; R139-R141 VanDerWaalsContact C-N 3.25Å; R139-R141 PolarHBondContact O-N 3.31Å; R139-R141 VanDerWaalsContact O-N 3.14Å; R141-K145 WeakPolarHBondContact O-CB 3.34Å; R141-K145 VanDerWaalsContact O-CG 3.3Å; R141-K145 WeakPolarHBondContact O-CG 3.42Å; R141-K145 PolarHBondContact O-N 3.19Å; R141-K145 VanDerWaalsContact O-N 3.1Å |
| 142 | S | 51 | Low | 50.7 | Low | 59 Ų | 59 | 97.3 Ų | 97.3 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.5 | -41.7 | 171.5 | -166.6 | 0 | 0 | 0 | 0 | 111 | G138 R139 K145 M146 | G138-S142 WeakPolarHBondContact O-CB 3.25Å; G138-S142 PolarHBondContact O-N 3.38Å; R139-S142 CarbonylContact O-C 3.57Å; R139-S142 WeakPolarHBondContact O-CA 3.36Å; R139-S142 VanDerWaalsContact O-CB 3.32Å; R139-S142 WeakPolarHBondContact O-CB 3.37Å; R139-S142 PolarHBondContact O-N 3.47Å; S142-K145 CarbonylContact O-C 3.6Å; S142-K145 WeakPolarHBondContact O-CB 3.29Å; S142-K145 PolarHBondContact O-N 2.83Å; S142-M146 PolarHBondContact O-N 3.29Å |
| 143 | D | 50.9 | Low | 50.6 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 177.1 | -58.1 | -23.4 | 0 | 0 | 0 | 110 | R139 K145 M146 L147 | R139-D143 VanDerWaalsContact C-OD2 3.3Å; R139-D143 WeakPolarHBondContact O-CB 3.49Å; R139-D143 PolarHBondContact O-N 2.94Å; R139-D143 VanDerWaalsContact O-OD2 3.1Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.93Å; D143-M146 CarbonylContact O-C 3.52Å; D143-M146 PolarHBondContact O-N 3.39Å; D143-L147 VanDerWaalsContact O-CB 3.31Å; D143-L147 WeakPolarHBondContact O-CB 3.34Å; D143-L147 WeakPolarHBondContact O-CG 3.2Å; D143-L147 PolarHBondContact O-N 2.81Å |
| 144 | L | 49.3 | Very low | 50.8 | Low | 118 Ų | 118 | 98 Ų | 98 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -34.7 | 172.7 | -167.4 | 70.6 | 0 | 0 | 0 | 112.1 | M140 N148 | M140-L144 WeakPolarHBondContact O-CB 3.47Å; M140-L144 PolarHBondContact O-N 3.38Å; L144-N148 VanDerWaalsContact O-CB 3.25Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.81Å |
| 145 | K | 54.8 | Low | 51.1 | Low | 141 Ų | 141 | 98.5 Ų | 98.5 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.4 | -40.8 | 171.9 | -82 | 179.7 | -179.7 | -173 | 0 | 111.9 | R141 S142 D143 N148 S149 | R141-K145 WeakPolarHBondContact O-CB 3.34Å; R141-K145 VanDerWaalsContact O-CG 3.3Å; R141-K145 WeakPolarHBondContact O-CG 3.42Å; R141-K145 PolarHBondContact O-N 3.19Å; R141-K145 VanDerWaalsContact O-N 3.1Å; S142-K145 CarbonylContact O-C 3.6Å; S142-K145 WeakPolarHBondContact O-CB 3.29Å; S142-K145 PolarHBondContact O-N 2.83Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.93Å; K145-N148 PolarHBondContact O-N 2.94Å; K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.88Å; K145-S149 PolarHBondContact O-OG 3.25Å |
| 146 | M | 49.6 | Very low | 51 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 174.5 | -94.4 | -165 | -91.4 | 0 | 0 | 110.7 | S142 D143 N148 S149 S150 | S142-M146 PolarHBondContact O-N 3.29Å; D143-M146 CarbonylContact O-C 3.52Å; D143-M146 PolarHBondContact O-N 3.39Å; M146-N148 PolarHBondContact O-N 2.71Å; M146-S149 PolarHBondContact O-N 3.02Å; M146-S149 VanDerWaalsContact O-N 3.14Å; M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.16Å; M146-S150 PolarHBondContact O-OG 2.94Å |
| 147 | L | 51 | Low | 51.5 | Low | 115 Ų | 115 | 102.2 Ų | 102.2 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.5 | -45.1 | 174.7 | -78.9 | 163.2 | 0 | 0 | 0 | 112.1 | D143 S149 S150 A151 | D143-L147 VanDerWaalsContact O-CB 3.31Å; D143-L147 WeakPolarHBondContact O-CB 3.34Å; D143-L147 WeakPolarHBondContact O-CG 3.2Å; D143-L147 PolarHBondContact O-N 2.81Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.35Å; L147-S150 PolarHBondContact O-N 2.75Å; L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.42Å; L147-A151 PolarHBondContact O-N 3.45Å |
| 148 | N | 55 | Low | 51.8 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -29.8 | 177.7 | -167.3 | 21.1 | 0 | 0 | 0 | 112.8 | L144 K145 M146 R152 | L144-N148 VanDerWaalsContact O-CB 3.25Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.81Å; K145-N148 PolarHBondContact O-N 2.94Å; M146-N148 PolarHBondContact O-N 2.71Å; N148-R152 PolarHBondContact ND2-NH2 3.02Å; N148-R152 VanDerWaalsContact ND2-NH2 3.19Å; N148-R152 PolarHBondContact O-N 2.87Å |
| 149 | S | 56.9 | Low | 52 | Low | 70 Ų | 70 | 103.9 Ų | 103.9 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.3 | -40.6 | 174.6 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | K145 M146 L147 R152 N153 | K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.88Å; K145-S149 PolarHBondContact O-OG 3.25Å; M146-S149 PolarHBondContact O-N 3.02Å; M146-S149 VanDerWaalsContact O-N 3.14Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.35Å; S149-R152 PolarHBondContact O-N 2.82Å; S149-N153 WeakPolarHBondContact O-CB 3.29Å; S149-N153 PolarHBondContact O-N 3.28Å |
| 150 | S | 59.1 | Low | 52 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 174 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | M146 L147 N153 L154 | M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.16Å; M146-S150 PolarHBondContact O-OG 2.94Å; L147-S150 PolarHBondContact O-N 2.75Å; S150-N153 PolarHBondContact O-N 3.38Å; S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 3.04Å |
| 151 | A | 55.1 | Low | 52.3 | Low | 44 Ų | 44 | 103.2 Ų | 103.2 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L147 N153 L154 E155 | L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.42Å; L147-A151 PolarHBondContact O-N 3.45Å; A151-N153 PolarHBondContact O-N 2.02Å; A151-L154 CarbonylContact O-C 3.5Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3.08Å; A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.3Å |
| 152 | R | 55.2 | Low | 52 | Low | 136 Ų | 136 | 103.2 Ų | 103.2 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 173.9 | -80.4 | -174.6 | -102.8 | 174.9 | -9.5 | 113 | N148 S149 L154 E155 D156 | N148-R152 PolarHBondContact ND2-NH2 3.02Å; N148-R152 VanDerWaalsContact ND2-NH2 3.19Å; N148-R152 PolarHBondContact O-N 2.87Å; S149-R152 PolarHBondContact O-N 2.82Å; R152-L154 VanDerWaalsContact C-N 3.27Å; R152-L154 PolarHBondContact O-N 3.46Å; R152-E155 PolarHBondContact O-N 3.32Å; R152-D156 PolarHBondContact O-N 3.18Å |
| 153 | N | 50.2 | Low | 51.8 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 175.2 | -156.4 | -56.4 | 0 | 0 | 0 | 111.5 | S149 S150 A151 K157 | S149-N153 WeakPolarHBondContact O-CB 3.29Å; S149-N153 PolarHBondContact O-N 3.28Å; S150-N153 PolarHBondContact O-N 3.38Å; A151-N153 PolarHBondContact O-N 2.02Å; N153-K157 WeakPolarHBondContact O-CB 2.95Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.49Å; N153-K157 PolarHBondContact O-N 3.27Å; N153-K157 VanDerWaalsContact OD1-CE 3.26Å; N153-K157 WeakPolarHBondContact OD1-CE 3.44Å |
| 154 | L | 49.5 | Very low | 51.4 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.4 | -39.9 | 173.2 | -166.9 | 71.1 | 0 | 0 | 0 | 111.6 | S150 A151 R152 K157 L158 | S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 3.04Å; A151-L154 CarbonylContact O-C 3.5Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3.08Å; R152-L154 VanDerWaalsContact C-N 3.27Å; R152-L154 PolarHBondContact O-N 3.46Å; L154-K157 PolarHBondContact O-N 2.9Å; L154-L158 HydrophobicContact CG-CD1 4.23Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CD1 3.4Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.18Å |
| 155 | E | 54 | Low | 51 | Low | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -44.7 | 172.5 | -74.4 | 175.6 | 165.6 | 0 | 0 | 111.6 | A151 R152 K157 L158 I159 | A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.3Å; R152-E155 PolarHBondContact O-N 3.32Å; E155-K157 PolarHBondContact O-N 3.23Å; E155-L158 CarbonylContact O-C 3.39Å; E155-L158 WeakPolarHBondContact O-CB 3.26Å; E155-L158 PolarHBondContact O-N 3.17Å; E155-L158 VanDerWaalsContact O-N 3.16Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.09Å; E155-I159 PolarHBondContact O-N 2.83Å |
| 156 | D | 52.1 | Low | 50.6 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | 174.9 | -74.2 | -24.3 | 0 | 0 | 0 | 111.8 | R152 I159 N160 | R152-D156 PolarHBondContact O-N 3.18Å; D156-I159 PolarHBondContact O-N 3.33Å; D156-N160 WeakPolarHBondContact O-CB 3.48Å; D156-N160 PolarHBondContact O-N 2.7Å; D156-N160 PolarHBondContact O-ND2 3.36Å; D156-N160 VanDerWaalsContact O-ND2 3.07Å |
| 157 | K | 53.6 | Low | 50.2 | Low | 124 Ų | 124 | 103.2 Ų | 103.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.5 | -36.9 | 172.5 | -78.1 | 173.6 | -179.6 | 174.6 | 0 | 112.1 | N153 L154 E155 N160 L161 | N153-K157 WeakPolarHBondContact O-CB 2.95Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.49Å; N153-K157 PolarHBondContact O-N 3.27Å; N153-K157 VanDerWaalsContact OD1-CE 3.26Å; N153-K157 WeakPolarHBondContact OD1-CE 3.44Å; L154-K157 PolarHBondContact O-N 2.9Å; E155-K157 PolarHBondContact O-N 3.23Å; K157-N160 CarbonylContact O-C 3.21Å; K157-N160 PolarHBondContact O-N 2.75Å; K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 WeakPolarHBondContact O-CD1 3.4Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 2.97Å |
| 158 | L | 50.1 | Low | 49.6 | Very low | 89 Ų | 89 | 103.4 Ų | 103.4 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.1 | -34.5 | 175.4 | -78.6 | 162.8 | 0 | 0 | 0 | 111.9 | L154 E155 L161 K162 | L154-L158 HydrophobicContact CG-CD1 4.23Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CD1 3.4Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.18Å; E155-L158 CarbonylContact O-C 3.39Å; E155-L158 WeakPolarHBondContact O-CB 3.26Å; E155-L158 PolarHBondContact O-N 3.17Å; E155-L158 VanDerWaalsContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-K162 WeakPolarHBondContact O-CG 3.47Å; L158-K162 PolarHBondContact O-N 3.19Å; L158-K162 VanDerWaalsContact O-N 3.16Å |
| 159 | I | 53.7 | Low | 49.2 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 45% | 0.451 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.9 | -43.2 | 172.6 | -69.1 | 164.2 | 0 | 0 | 0 | 110.5 | E155 D156 L161 K162 Q163 | E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.09Å; E155-I159 PolarHBondContact O-N 2.83Å; D156-I159 PolarHBondContact O-N 3.33Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.35Å; I159-K162 WeakPolarHBondContact O-CB 3.24Å; I159-K162 PolarHBondContact O-N 3.39Å; I159-Q163 PolarHBondContact O-N 3.4Å; I159-Q163 VanDerWaalsContact O-N 3.17Å |
| 160 | N | 50 | Low | 48.6 | Very low | 108 Ų | 108 | 105.5 Ų | 105.5 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.1 | -20.5 | 175.1 | -71.4 | -38.5 | 0 | 0 | 0 | 113.7 | D156 K157 Q163 | D156-N160 WeakPolarHBondContact O-CB 3.48Å; D156-N160 PolarHBondContact O-N 2.7Å; D156-N160 PolarHBondContact O-ND2 3.36Å; D156-N160 VanDerWaalsContact O-ND2 3.07Å; K157-N160 CarbonylContact O-C 3.21Å; K157-N160 PolarHBondContact O-N 2.75Å; N160-Q163 CarbonylContact O-C 3.49Å |
| 161 | L | 48.3 | Very low | 47.7 | Very low | 137 Ų | 137 | 113.4 Ų | 113.4 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75 | -29.1 | 168.9 | -88.9 | 153.9 | 0 | 0 | 0 | 111.7 | K157 L158 I159 | K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 WeakPolarHBondContact O-CD1 3.4Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 2.97Å; L158-L161 PolarHBondContact O-N 3.48Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.35Å |
| 162 | K | 43.6 | Very low | 47.6 | Very low | 183 Ų | 183 | 119.1 Ų | 119.1 | 80% | 0.796 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.2 | -23.8 | 173.5 | -72.7 | 178.6 | -179.6 | -178.7 | 0 | 112.8 | L158 I159 | L158-K162 WeakPolarHBondContact O-CG 3.47Å; L158-K162 PolarHBondContact O-N 3.19Å; L158-K162 VanDerWaalsContact O-N 3.16Å; I159-K162 WeakPolarHBondContact O-CB 3.24Å; I159-K162 PolarHBondContact O-N 3.39Å |
| 163 | Q | 46.8 | Very low | 46.9 | Very low | 141 Ų | 141 | 116 Ų | 116 | 66% | 0.659 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -114.4 | 90.3 | 174.5 | -63.3 | -177.7 | 37.2 | 0 | 0 | 108.8 | I159 N160 | I159-Q163 PolarHBondContact O-N 3.4Å; I159-Q163 VanDerWaalsContact O-N 3.17Å; N160-Q163 CarbonylContact O-C 3.49Å |
| 164 | G | 40.7 | Very low | 46.5 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 155.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 165 | P | 41.5 | Very low | 46.3 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 146 | -176.9 | 22.2 | -32.6 | 0 | 0 | 0 | 111 | G167 | P165-G167 PolarHBondContact O-N 2.95Å; P165-G167 VanDerWaalsContact O-N 3.09Å |
| 166 | P | 46 | Very low | 45.9 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 84% | 0.844 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 122.8 | 176.9 | -25 | 32.8 | 0 | 0 | 0 | 109.8 | ||
| 167 | G | 42 | Very low | 45.4 | Very low | 61 Ų | 61 | 123 Ų | 123 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P165 | P165-G167 PolarHBondContact O-N 2.95Å; P165-G167 VanDerWaalsContact O-N 3.09Å |
| 168 | P | 37.9 | Very low | 45.3 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 146.1 | 174.6 | 24 | -32.5 | 0 | 0 | 0 | 109.7 | G170 | P168-G170 PolarHBondContact O-N 3.41Š|
| 169 | P | 47.1 | Very low | 45.2 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 131.7 | 175.8 | -26.1 | 33.2 | 0 | 0 | 0 | 110.3 | R171 | P169-R171 PolarHBondContact O-N 3.07Š|
| 170 | G | 43.6 | Very low | 44.7 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 139.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P168 D172 | P168-G170 PolarHBondContact O-N 3.41Å; G170-D172 PolarHBondContact O-N 3.48Å |
| 171 | R | 41.2 | Very low | 45 | Very low | 244 Ų | 244 | 125.3 Ų | 125.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.2 | 175.9 | -52.5 | -177.7 | -177.2 | -166.3 | -0.4 | 108.1 | P169 G173 | P169-R171 PolarHBondContact O-N 3.07Å; R171-G173 PolarHBondContact O-N 2.93Å |
| 172 | D | 53.4 | Low | 45 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 127.5 | 174.6 | -67.8 | -35.5 | 0 | 0 | 0 | 109.4 | G170 | G170-D172 PolarHBondContact O-N 3.48Š|
| 173 | G | 40.4 | Very low | 45.2 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R171 S175 | R171-G173 PolarHBondContact O-N 2.93Å; G173-S175 PolarHBondContact O-N 3.35Å |
| 174 | L | 40.5 | Very low | 45.3 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 119.2 | 175.8 | -70.2 | 170.5 | 0 | 0 | 0 | 109.2 | G176 | L174-G176 PolarHBondContact O-N 3.5Š|
| 175 | S | 45.9 | Very low | 45.6 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 126.5 | 175.1 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | G173 | G173-S175 PolarHBondContact O-N 3.35Š|
| 176 | G | 45.8 | Very low | 45.6 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L174 | L174-G176 PolarHBondContact O-N 3.5Š|
| 177 | Q | 40.5 | Very low | 45.4 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.9 | 178.2 | -80.1 | -173.9 | -27.4 | 0 | 0 | 110.3 | G179 | Q177-G179 PolarHBondContact O-N 2.93Š|
| 178 | P | 52 | Low | 45.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 132.7 | 174.5 | -22.8 | 32.3 | 0 | 0 | 0 | 110.7 | ||
| 179 | G | 48.2 | Very low | 45.7 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 139.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q177 | Q177-G179 PolarHBondContact O-N 2.93Š|
| 180 | T | 43.8 | Very low | 45.5 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133.2 | 177 | 46.6 | 0 | 0 | 0 | 0 | 110.4 | G182 | T180-G182 PolarHBondContact O-N 2.95Š|
| 181 | P | 55.2 | Low | 45.4 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.2 | 175.6 | -24.7 | 33.9 | 0 | 0 | 0 | 111.5 | ||
| 182 | G | 48.8 | Very low | 45.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T180 R184 | T180-G182 PolarHBondContact O-N 2.95Å; G182-R184 PolarHBondContact O-N 3.47Å |
| 183 | D | 47 | Very low | 44.7 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136 | -178.6 | -69 | -40.9 | 0 | 0 | 0 | 112.2 | G185 | D183-G185 PolarHBondContact O-N 3.33Š|
| 184 | R | 50.4 | Low | 44.4 | Very low | 245 Ų | 245 | 129.3 Ų | 129.3 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.6 | 178.4 | -171.8 | 175.5 | -176 | 143.7 | 0.4 | 109.4 | G182 | G182-R184 PolarHBondContact O-N 3.47Š|
| 185 | G | 46.9 | Very low | 44.2 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D183 | D183-G185 PolarHBondContact O-N 3.33Š|
| 186 | L | 41.2 | Very low | 44.4 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.5 | -179.5 | -66.9 | 172.1 | 0 | 0 | 0 | 111 | G188 | L186-G188 PolarHBondContact O-N 3.05Š|
| 187 | K | 41.8 | Very low | 43.9 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 81% | 0.809 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.3 | 177.3 | -178.1 | -178.3 | 178.3 | -174.1 | 0 | 109.4 | ||
| 188 | G | 45.3 | Very low | 44.1 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L186 | L186-G188 PolarHBondContact O-N 3.05Š|
| 189 | D | 41.3 | Very low | 43.4 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 149.1 | -177.4 | -67.3 | -45.8 | 0 | 0 | 0 | 112.9 | G191 | D189-G191 PolarHBondContact O-N 3.12Š|
| 190 | I | 41.8 | Very low | 43.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 122 | -176.3 | -64.7 | 166.9 | 0 | 0 | 0 | 109.4 | ||
| 191 | G | 42 | Very low | 42.8 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 140.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D189 | D189-G191 PolarHBondContact O-N 3.12Š|
| 192 | D | 35.9 | Very low | 42 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.2 | -175.3 | -68.2 | -45.7 | 0 | 0 | 0 | 114 | ||
| 193 | A | 44.2 | Very low | 41.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 194 | G | 33.1 | Very low | 41.1 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -145.2 | 155.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 195 | P | 37.4 | Very low | 40.8 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 93% | 0.929 | 81% | 0.81 | S | S | * | * | trans | -82.3 | 157.1 | -144.5 | 31.7 | -35.6 | 0 | 0 | 0 | 116.2 | ||||
| 196 | Q | 49.2 | Very low | 40.7 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -68.3 | 146.4 | -165.7 | -171.3 | 179.3 | -6.6 | 0 | 0 | 115.4 | ||||
| 197 | G | 35.2 | Very low | 40.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 128 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 198 | L | 45.7 | Very low | 40.5 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -71.1 | 127.7 | -168.1 | -63.9 | 165.9 | 0 | 0 | 0 | 112.5 | ||||
| 199 | K | 37.8 | Very low | 40.3 | Very low | 207 Ų | 207 | 129.9 Ų | 129.9 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -117 | 124 | 166.1 | -170.6 | 173.1 | -179.8 | 178.8 | 0 | 109.1 | ||||
| 200 | G | 42.6 | Very low | 40.2 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 167.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 201 | D | 37.2 | Very low | 40.3 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128.1 | -161 | -54.9 | -44.8 | 0 | 0 | 0 | 114.1 | ||
| 202 | N | 37.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 130.3 | 153.6 | -73.6 | 3.3 | 0 | 0 | 0 | 107.6 | ||
| 203 | G | 40.4 | Very low | 40.3 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 148.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 204 | Q | 36.1 | Very low | 40.2 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132 | -178.5 | -73 | -174.9 | -71 | 0 | 0 | 111.8 | G206 | Q204-G206 PolarHBondContact O-N 2.95Š|
| 205 | P | 44.6 | Very low | 40.5 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.2 | 160.9 | -20.8 | 32.4 | 0 | 0 | 0 | 110.1 | ||
| 206 | G | 43.5 | Very low | 40.5 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q204 S208 | Q204-G206 PolarHBondContact O-N 2.95Å; G206-S208 PolarHBondContact O-N 2.8Å |
| 207 | Q | 37.3 | Very low | 40.2 | Very low | 197 Ų | 197 | 126.4 Ų | 126.4 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.7 | -178 | -70.2 | -179.9 | 0.2 | 0 | 0 | 111.4 | G209 | Q207-G209 PolarHBondContact O-N 2.78Š|
| 208 | S | 41.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 130.7 | 170 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | G206 | G206-S208 PolarHBondContact O-N 2.8Š|
| 209 | G | 41.7 | Very low | 40 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q207 | Q207-G209 PolarHBondContact O-N 2.78Š|
| 210 | A | 38.3 | Very low | 40.2 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G212 | A210-G212 PolarHBondContact O-N 2.93Š|
| 211 | P | 45.5 | Very low | 40.1 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.8 | 173.7 | -22.8 | 32.8 | 0 | 0 | 0 | 111.6 | ||
| 212 | G | 39.8 | Very low | 40.1 | Very low | 63 Ų | 63 | 117 Ų | 117 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 154.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A210 | A210-G212 PolarHBondContact O-N 2.93Š|
| 213 | P | 37.3 | Very low | 40.4 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139 | -177.2 | 24.9 | -32.9 | 0 | 0 | 0 | 111.7 | G215 | P213-G215 PolarHBondContact O-N 2.91Š|
| 214 | R | 42.8 | Very low | 40.4 | Very low | 247 Ų | 247 | 115.5 Ų | 115.5 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.9 | 175.5 | -177.5 | 177.8 | 177.7 | -178.9 | -0.1 | 109.8 | ||
| 215 | G | 39.7 | Very low | 40.5 | Very low | 54 Ų | 54 | 114.4 Ų | 114.4 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 154 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P213 | P213-G215 PolarHBondContact O-N 2.91Š|
| 216 | P | 36.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.9 | -178 | 25 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 217 | P | 43.2 | Very low | 40.6 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.6 | 174.2 | -21.6 | 32.2 | 0 | 0 | 0 | 111.7 | ||
| 218 | G | 38.6 | Very low | 41.1 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 155.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 219 | P | 38.3 | Very low | 41.3 | Very low | 134 Ų | 134 | 112.8 Ų | 112.8 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.7 | -178.3 | 24.6 | -32.5 | 0 | 0 | 0 | 111.7 | ||
| 220 | A | 42.8 | Very low | 41.1 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 221 | G | 40.7 | Very low | 41.4 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 222 | A | 35.8 | Very low | 41.6 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | G224 | A222-G224 PolarHBondContact O-N 2.96Š|
| 223 | P | 43.8 | Very low | 41.6 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.8 | 175.6 | -19.6 | 31.5 | 0 | 0 | 0 | 111.6 | ||
| 224 | G | 41.8 | Very low | 42 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 139.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A222 | A222-G224 PolarHBondContact O-N 2.96Š|
| 225 | N | 37.8 | Very low | 42.1 | Very low | 171 Ų | 171 | 117.9 Ų | 117.9 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.6 | 174.6 | -72.8 | -29.6 | 0 | 0 | 0 | 111.2 | ||
| 226 | Q | 44.9 | Very low | 42 | Very low | 204 Ų | 204 | 119.8 Ų | 119.8 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.5 | -173 | -71 | 174.6 | -26.8 | 0 | 0 | 113.1 | ||
| 227 | G | 44.5 | Very low | 42.4 | Very low | 57 Ų | 57 | 119.9 Ų | 119.9 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | trans | -165.9 | 147 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G229 | G227-G229 PolarHBondContact O-N 3.13Š| ||
| 228 | P | 48.4 | Very low | 42.2 | Very low | 149 Ų | 149 | 117.2 Ų | 117.2 | 97% | 0.968 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -77.6 | 94 | -173 | 30.8 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 229 | G | 45 | Very low | 42.1 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -165.8 | 127.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G227 | G227-G229 PolarHBondContact O-N 3.13Š| ||
| 230 | A | 37.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 19.6 | 118.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | G232 | A230-G232 PolarHBondContact O-N 2.63Å; A230-G232 VanDerWaalsContact O-N 3.13Å | ||
| 231 | K | 45.4 | Very low | 42.1 | Very low | 210 Ų | 210 | 115.9 Ų | 115.9 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -49.6 | 114.7 | 166.5 | -176 | 179.2 | -177.3 | 179.3 | 0 | 110.5 | ||||
| 232 | G | 49.7 | Very low | 41.8 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A230 | A230-G232 PolarHBondContact O-N 2.63Å; A230-G232 VanDerWaalsContact O-N 3.13Å |
| 233 | E | 40.1 | Very low | 42.2 | Very low | 198 Ų | 198 | 121.9 Ų | 121.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 139.8 | -178 | -65.5 | -177.9 | 152.2 | 0 | 0 | 112 | G235 | E233-G235 PolarHBondContact O-N 3.37Š|
| 234 | K | 45 | Very low | 42 | Very low | 205 Ų | 205 | 118.7 Ų | 118.7 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 123.1 | 176.4 | -176.3 | -179.5 | -179.6 | -178.6 | 0 | 109 | ||
| 235 | G | 45.9 | Very low | 41.8 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 142.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E233 | E233-G235 PolarHBondContact O-N 3.37Š|
| 236 | A | 36.8 | Very low | 42.1 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 237 | P | 43.8 | Very low | 42 | Very low | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 138.1 | 173.9 | -19.7 | 30.9 | 0 | 0 | 0 | 111.4 | ||
| 238 | G | 39.8 | Very low | 41.5 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 239 | G | 36.1 | Very low | 41.5 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 160.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 240 | P | 41.8 | Very low | 41.4 | Very low | 135 Ų | 135 | 121 Ų | 121 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.7 | 177 | -18 | 30.1 | 0 | 0 | 0 | 111.6 | ||
| 241 | G | 40.1 | Very low | 41.5 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 242 | L | 34.5 | Very low | 41.5 | Very low | 170 Ų | 170 | 118 Ų | 118 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140.6 | 179.4 | -67.3 | 169.8 | 0 | 0 | 0 | 111.2 | ||
| 243 | P | 43.9 | Very low | 41 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 138.4 | 173.5 | -22.5 | 32.8 | 0 | 0 | 0 | 111.5 | ||
| 244 | G | 38.6 | Very low | 40.9 | Very low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65 | 158.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 245 | P | 38 | Very low | 40.9 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.9 | 179.5 | 24.8 | -32.8 | 0 | 0 | 0 | 111.5 | G247 | P245-G247 PolarHBondContact O-N 3.07Š|
| 246 | K | 45.1 | Very low | 40.7 | Very low | 208 Ų | 208 | 119 Ų | 119 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 128.6 | 177.4 | -174.8 | 177 | -179.9 | 177.8 | 0 | 109.5 | ||
| 247 | G | 41.9 | Very low | 40.6 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 152.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P245 | P245-G247 PolarHBondContact O-N 3.07Š|
| 248 | D | 34.3 | Very low | 40.6 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.4 | -177.5 | -64.9 | -42.9 | 0 | 0 | 0 | 112.4 | ||
| 249 | P | 47.9 | Very low | 40.5 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.6 | 175.9 | -19.3 | 31.6 | 0 | 0 | 0 | 112.6 | ||
| 250 | G | 42.5 | Very low | 40.3 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 148.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 251 | T | 39.4 | Very low | 40.3 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.5 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 252 | A | 45.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 136.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 253 | G | 40.6 | Very low | 40.2 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 144.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 254 | Q | 37.3 | Very low | 40 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 148.7 | 179 | -67.1 | -175.2 | 8.7 | 0 | 0 | 112.9 | ||
| 255 | K | 45.2 | Very low | 40.1 | Very low | 212 Ų | 212 | 125.6 Ų | 125.6 | 92% | 0.922 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 125.7 | -178.2 | -169.2 | -179.6 | -169.5 | 178.1 | 0 | 111.9 | ||
| 256 | G | 42 | Very low | 40 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 149.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 257 | S | 34.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 153.1 | -170.7 | 46.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 258 | S | 44 | Very low | 39.7 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 92% | 0.923 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 156.2 | -177.8 | -60.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 259 | G | 37.9 | Very low | 39.9 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 167.4 | 152.8 | 157 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 260 | S | 31.2 | Very low | 39.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | cis | -158.8 | 156.1 | -8.3 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 261 | Q | 42.5 | Very low | 40.1 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -102.5 | 155.5 | -163.5 | -173.3 | -176.1 | -26 | 0 | 0 | 115.3 | ||||
| 262 | G | 37.4 | Very low | 40.1 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 83% | 0.832 | S | S | * | * | trans | 176.8 | 145.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 263 | T | 34.1 | Very low | 40.1 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | cis | -147.1 | 158.3 | 1.5 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 264 | T | 39.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -79.2 | 142.5 | -161.6 | -50.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 265 | G | 41.2 | Very low | 40.5 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -117.4 | 142.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | L | 36 | Very low | 40.8 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135.3 | -159.5 | -68.7 | 167.4 | 0 | 0 | 0 | 115.7 | ||
| 267 | Q | 37 | Very low | 40.9 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 117.2 | -171.5 | -175.2 | 176.9 | 18 | 0 | 0 | 111.7 | ||
| 268 | G | 44.9 | Very low | 41.3 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 129.9 | 155 | 0 | 0 | 0 | 0 | 0 | 109 | K270 | G268-K270 PolarHBondContact O-N 2.92Š|
| 269 | Q | 38 | Very low | 41.4 | Very low | 191 Ų | 191 | 127 Ų | 127 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.2 | -178 | -69.7 | -176.2 | 3.1 | 0 | 0 | 110.6 | G271 | Q269-G271 PolarHBondContact O-N 2.73Š|
| 270 | K | 44.5 | Very low | 41.7 | Very low | 191 Ų | 191 | 126.5 Ų | 126.5 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 118.2 | 171.3 | -172.2 | -177.3 | -172 | -174.7 | 0 | 107.5 | G268 | G268-K270 PolarHBondContact O-N 2.92Š|
| 271 | G | 50.6 | Low | 42.1 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q269 | Q269-G271 PolarHBondContact O-N 2.73Š|
| 272 | D | 39.4 | Very low | 42.1 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140.6 | -179.3 | -66 | -41.6 | 0 | 0 | 0 | 111.7 | G274 | D272-G274 PolarHBondContact O-N 3.42Š|
| 273 | S | 45.2 | Very low | 42.1 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.9 | 175.2 | -54.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 274 | G | 47 | Very low | 42.3 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 153 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D272 | D272-G274 PolarHBondContact O-N 3.42Š|
| 275 | P | 39.5 | Very low | 42.6 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.2 | -179.1 | 24.5 | -32.6 | 0 | 0 | 0 | 111.1 | G277 | P275-G277 PolarHBondContact O-N 3.26Š|
| 276 | P | 50.7 | Low | 42.4 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.9 | 173.6 | -22.2 | 32.1 | 0 | 0 | 0 | 111 | ||
| 277 | G | 44.8 | Very low | 42.5 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 151.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P275 Q279 | P275-G277 PolarHBondContact O-N 3.26Å; G277-Q279 PolarHBondContact O-N 3.25Å |
| 278 | P | 41.9 | Very low | 42.6 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.9 | -178.3 | 25.2 | -32.8 | 0 | 0 | 0 | 111 | G280 | P278-G280 PolarHBondContact O-N 3.48Š|
| 279 | Q | 45.5 | Very low | 42.4 | Very low | 194 Ų | 194 | 120.2 Ų | 120.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128.6 | 178.8 | -168.4 | 164.8 | -18.4 | 0 | 0 | 110.1 | G277 | G277-Q279 PolarHBondContact O-N 3.25Š|
| 280 | G | 45.5 | Very low | 42.3 | Very low | 68 Ų | 68 | 118.9 Ų | 118.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P278 | P278-G280 PolarHBondContact O-N 3.48Š|
| 281 | A | 39 | Very low | 41.9 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G283 | A281-G283 PolarHBondContact O-N 2.74Š|
| 282 | L | 41.6 | Very low | 41.3 | Very low | 173 Ų | 173 | 119 Ų | 119 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.8 | 174.6 | -163.5 | 74.3 | 0 | 0 | 0 | 109.6 | ||
| 283 | G | 39 | Very low | 41.2 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 56% | 0.557 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 155.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A281 | A281-G283 PolarHBondContact O-N 2.74Š|
| 284 | P | 37.5 | Very low | 40.9 | Very low | 125 Ų | 125 | 117 Ų | 117 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.6 | -179.3 | 25.9 | -32.6 | 0 | 0 | 0 | 111.5 | ||
| 285 | P | 45.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 116.9 Ų | 116.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.2 | 174.4 | -22.7 | 33.1 | 0 | 0 | 0 | 111.8 | ||
| 286 | G | 37.5 | Very low | 40.1 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 147.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 287 | A | 38 | Very low | 39.8 | Very low | 104 Ų | 104 | 117 Ų | 117 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60 | 140.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | G289 | A287-G289 PolarHBondContact O-N 2.73Š|
| 288 | K | 38.9 | Very low | 39.2 | Very low | 199 Ų | 199 | 117.4 Ų | 117.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123.2 | 175.6 | -172.5 | -179.6 | -179.3 | -176.9 | 0 | 109.1 | ||
| 289 | G | 40.7 | Very low | 38.9 | Very low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | A287 | A287-G289 PolarHBondContact O-N 2.73Š|
| 290 | D | 35.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 115.2 Ų | 115.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 144.9 | 179.5 | -65.2 | -38.9 | 0 | 0 | 0 | 112.1 | G292 | D290-G292 PolarHBondContact O-N 2.84Š|
| 291 | Q | 36.8 | Very low | 38 | Very low | 198 Ų | 198 | 115.2 Ų | 115.2 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.9 | -180 | -148.5 | 173.6 | 4.5 | 0 | 0 | 109.5 | ||
| 292 | G | 38.6 | Very low | 37.9 | Very low | 58 Ų | 58 | 119.8 Ų | 119.8 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 156.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D290 | D290-G292 PolarHBondContact O-N 2.84Š|
| 293 | P | 36.8 | Very low | 38.2 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.5 | -179 | 25.2 | -33.3 | 0 | 0 | 0 | 111.7 | G295 | P293-G295 PolarHBondContact O-N 2.97Š|
| 294 | A | 39.2 | Very low | 38 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 295 | G | 32.9 | Very low | 37.9 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 156.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P293 | P293-G295 PolarHBondContact O-N 2.97Š|
| 296 | P | 36.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 148.2 | 176.6 | 26.1 | -32.7 | 0 | 0 | 0 | 111.3 | G298 | P296-G298 PolarHBondContact O-N 2.74Š|
| 297 | P | 44 | Very low | 38.3 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.6 | 175.5 | -24.9 | 34.1 | 0 | 0 | 0 | 112 | ||
| 298 | G | 32.7 | Very low | 39.4 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P296 | P296-G298 PolarHBondContact O-N 2.74Š|
| 299 | A | 36.5 | Very low | 41.8 | Very low | 104 Ų | 104 | 122 Ų | 122 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G301 | A299-G301 PolarHBondContact O-N 3.14Š|
| 300 | K | 38.8 | Very low | 44.5 | Very low | 178 Ų | 178 | 119 Ų | 119 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116 | 177.5 | -174.8 | -179.7 | 178.6 | -173.8 | 0 | 109.5 | ||
| 301 | G | 33.3 | Very low | 47.4 | Very low | 69 Ų | 69 | 115.9 Ų | 115.9 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A299 | A299-G301 PolarHBondContact O-N 3.14Š|
| 302 | E | 36.1 | Very low | 50.3 | Low | 198 Ų | 198 | 106.9 Ų | 106.9 | 93% | 0.925 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.4 | 169.1 | -66.7 | 176.8 | 150.5 | 0 | 0 | 109.3 | G304 | E302-G304 PolarHBondContact O-N 3.48Š|
| 303 | R | 47.3 | Very low | 53.1 | Low | 224 Ų | 224 | 106.2 Ų | 106.2 | 85% | 0.845 | 64% | 0.638 | S | S | * | * | trans | -80.3 | 105.2 | 176.8 | -178.7 | -175.6 | -65.9 | 166.9 | -0.5 | 108 | ||||
| 304 | G | 34.7 | Very low | 55.9 | Low | 53 Ų | 53 | 104.4 Ų | 104.4 | 55% | 0.546 | 63% | 0.627 | S | S | . | * | trans | -61.9 | 143 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E302 Q306 | E302-G304 PolarHBondContact O-N 3.48Å; G304-Q306 PolarHBondContact O-N 3.49Å | ||
| 305 | D | 36.3 | Very low | 58.4 | Low | 169 Ų | 169 | 104.8 Ų | 104.8 | 90% | 0.904 | 62% | 0.623 | S | S | * | * | trans | -4.9 | 76.8 | 157.3 | -50.5 | -30.9 | 0 | 0 | 0 | 116.1 | ||||
| 306 | Q | 38.6 | Very low | 61.2 | Low | 158 Ų | 158 | 104.1 Ų | 104.1 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | trans | -69.6 | 142.8 | 141.4 | -61.1 | -73.8 | -57.5 | 0 | 0 | 105.5 | G304 A308 | G304-Q306 PolarHBondContact O-N 3.49Å; Q306-A308 VanDerWaalsContact C-N 3.28Å; Q306-A308 PolarHBondContact O-N 2.76Å | ||
| 307 | E | 53 | Low | 64.1 | Low | 169 Ų | 169 | 100.6 Ų | 100.6 | 79% | 0.79 | 59% | 0.594 | S | S | * | * | trans | -54.4 | 96.5 | 171.6 | -77.1 | -172.1 | 141.4 | 0 | 0 | 108.9 | N309 | E307-N309 PolarHBondContact O-N 3.16Å; E307-N309 VanDerWaalsContact O-N 3.14Å | ||
| 308 | A | 61.4 | Low | 66.7 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | trans | -68.1 | 119.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q306 V310 W329 | Q306-A308 VanDerWaalsContact C-N 3.28Å; Q306-A308 PolarHBondContact O-N 2.76Å; A308-V310 WeakPolarHBondContact CB-O 3.27Å; A308-V310 PolarHBondContact O-N 3.19Å; A308-V310 VanDerWaalsContact O-N 3.12Å; A308-W329 WeakPolarHBondContact O-CH2 3.42Å | ||
| 309 | N | 89.5 | Confident | 69.8 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -73.3 | 5.2 | 174.9 | -67.1 | -34.9 | 0 | 0 | 0 | 112.1 | E307 V323 K324 | E307-N309 PolarHBondContact O-N 3.16Å; E307-N309 VanDerWaalsContact O-N 3.14Å; N309-V323 CarbonylContact O-C 3.37Å; N309-V323 VanDerWaalsContact O-CA 3.24Å; N309-V323 WeakPolarHBondContact O-CA 3.49Å; N309-V323 VanDerWaalsContact O-CG1 3.31Å; N309-V323 WeakPolarHBondContact O-CG1 3.38Å; N309-K324 PolarHBondContact O-N 3.1Å |
| 310 | V | 95.7 | Very high | 72.8 | Confident | 3 Ų | 3 | 92.6 Ų | 92.6 | 2% | 0.018 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.3 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | A308 V321 E322 V323 I345 M348 L349 I381 | A308-V310 WeakPolarHBondContact CB-O 3.27Å; A308-V310 PolarHBondContact O-N 3.19Å; A308-V310 VanDerWaalsContact O-N 3.12Å; V310-V321 HydrophobicContact CG1-CG1 4.31Å; V310-E322 CarbonylContact C-O 3.52Å; V310-E322 WeakPolarHBondContact CA-O 3.35Å; V310-V323 HydrophobicContact CG2-CG1 4.45Å; V310-V323 HydrophobicContact CG2-CG2 4.29Å; V310-I345 HydrophobicContact CG1-CD1 3.75Å; V310-I345 HydrophobicContact CG1-CG2 3.95Å; V310-I345 HydrophobicContact CG2-CD1 4.14Å; V310-M348 HydrophobicContact CB-CE 4.43Å; V310-M348 HydrophobicContact CG2-CE 3.47Å; V310-M348 VanDerWaalsContact CG2-CE 3.47Å; V310-M348 HydrophobicContact CG2-SD 3.85Å; V310-L349 HydrophobicContact CG1-CD1 4.38Å; V310-L349 HydrophobicContact CG1-CD2 4.32Å; V310-L349 HydrophobicContact CG1-CG 4.31Å; V310-L349 WeakPolarHBondContact O-CD2 3.43Å; V310-I381 HydrophobicContact CG2-CG2 3.97Å |
| 311 | R | 96.5 | Very high | 75.6 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159.6 | 171.1 | 71.6 | -176.4 | -177.9 | -177.6 | 0.1 | 111.1 | V313 E322 W329 | R311-V313 HydrophobicContact CG-CG2 4.22Å; R311-E322 HydrophobicContact CG-CB 3.88Å; R311-E322 IonicContact CZ-OE2 3.21Å; R311-E322 PolarHBondContact N-O 3.19Å; R311-E322 IonicContact NE-OE2 2.89Å; R311-E322 PolarHBondContact NE-OE2 3.38Å; R311-E322 IonicContact NH2-OE2 2.68Å; R311-E322 PolarHBondContact NH2-OE2 2.98Å; R311-E322 PolarHBondContact O-N 2.93Å; R311-W329 HydrophobicContact CB-CH2 3.93Å; R311-W329 HydrophobicContact CB-CZ3 4.04Å; R311-W329 HydrophobicContact CG-CE3 3.95Å; R311-W329 HydrophobicContact CG-CH2 3.81Å; R311-W329 HydrophobicContact CG-CZ2 4.42Å; R311-W329 HydrophobicContact CG-CZ3 3.55Å |
| 312 | L | 97.9 | Very high | 78.7 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 5% | 0.052 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.5 | 166.4 | -57.5 | -175.2 | 0 | 0 | 0 | 110.5 | P314 S315 R320 V321 I345 L349 V402 | L312-P314 CarbonylContact C-O 3.59Å; L312-P314 CarbonylContact O-C 3.56Å; L312-S315 WeakPolarHBondContact O-CA 3.41Å; L312-S315 PolarHBondContact O-N 3.28Å; L312-R320 CarbonylContact C-O 3.58Å; L312-R320 VanDerWaalsContact CA-O 3.29Å; L312-R320 WeakPolarHBondContact CA-O 3.49Å; L312-V321 HydrophobicContact CD2-CG2 4.06Å; L312-I345 HydrophobicContact CD2-CG2 4.32Å; L312-L349 HydrophobicContact CD1-CD1 3.92Å; L312-L349 HydrophobicContact CD2-CD1 3.79Å; L312-L349 HydrophobicContact CG-CD1 3.54Å; L312-V402 HydrophobicContact CD1-CG1 4.19Å; L312-V402 HydrophobicContact CD2-CG1 3.68Å |
| 313 | V | 97.8 | Very high | 81.6 | Confident | 44 Ų | 44 | 72 Ų | 72 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.6 | 173 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | R311 R320 E322 | R311-V313 HydrophobicContact CG-CG2 4.22Å; V313-R320 PolarHBondContact N-O 3.41Å; V313-R320 WeakPolarHBondContact O-CB 3.48Å; V313-R320 PolarHBondContact O-N 2.83Å; V313-E322 VanDerWaalsContact CG2-CD 3.5Å; V313-E322 HydrophobicContact CG2-CG 4.21Å; V313-E322 WeakPolarHBondContact CG2-OE2 3.19Å |
| 314 | P | 95.8 | Very high | 83.8 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | S | Bend | cis | -62.3 | 161.5 | -9.8 | 31 | -36.1 | 0 | 0 | 0 | 111.8 | L312 | L312-P314 CarbonylContact C-O 3.59Å; L312-P314 CarbonylContact O-C 3.56Å |
| 315 | S | 90.8 | Very high | 86.4 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 78% | 0.776 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -66 | 147.7 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | L312 | L312-S315 WeakPolarHBondContact O-CA 3.41Å; L312-S315 PolarHBondContact O-N 3.28Å |
| 316 | G | 93.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 146.2 | -149.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 317 | S | 96.7 | Very high | 91.2 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -94.1 | -3.4 | 172.4 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | Q403 C404 | S317-Q403 CarbonylContact O-C 3.54Å; S317-Q403 WeakPolarHBondContact O-CA 3.44Å; S317-Q403 PolarHBondContact O-NE2 2.66Å; S317-Q403 VanDerWaalsContact O-NE2 3.07Å; S317-Q403 PolarHBondContact OG-NE2 3.35Å; S317-C404 PolarHBondContact O-N 3.49Å |
| 318 | R | 97.9 | Very high | 93 | Very high | 106 Ų | 106 | 51.6 Ų | 51.6 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 131.3 | 178.1 | -164.5 | -175.2 | 170.5 | 85.7 | 0.9 | 110.5 | D356 F358 V402 Q403 | R318-D356 IonicContact NH1-OD2 2.83Å; R318-F358 HydrophobicContact CG-CE1 3.71Å; R318-F358 HydrophobicContact CG-CZ 3.85Å; R318-F358 VanDerWaalsContact CZ-CD1 3.48Å; R318-F358 VanDerWaalsContact NH2-CG 3.34Å; R318-V402 VanDerWaalsContact CA-O 3.31Å; R318-V402 WeakPolarHBondContact CA-O 3.49Å; R318-Q403 VanDerWaalsContact CD-OE1 3.22Å; R318-Q403 HydrophobicContact CG-CB 4.34Å; R318-Q403 VanDerWaalsContact CG-OE1 3.28Å |
| 319 | G | 98.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G401 V402 | G319-G401 WeakPolarHBondContact O-CA 3.3Å; G319-V402 PolarHBondContact N-O 2.88Å; G319-V402 VanDerWaalsContact N-O 3.16Å; G319-V402 PolarHBondContact O-N 3.22Å |
| 320 | R | 98.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 136.4 | 169.4 | -176.5 | 174 | 58.3 | -106.3 | -2.3 | 109.5 | L312 V313 E322 A360 P361 D399 A400 | L312-R320 CarbonylContact C-O 3.58Å; L312-R320 VanDerWaalsContact CA-O 3.29Å; L312-R320 WeakPolarHBondContact CA-O 3.49Å; V313-R320 PolarHBondContact N-O 3.41Å; V313-R320 WeakPolarHBondContact O-CB 3.48Å; V313-R320 PolarHBondContact O-N 2.83Å; R320-E322 IonicContact CZ-OE1 3.68Å; R320-E322 IonicContact NE-OE1 2.96Å; R320-E322 PolarHBondContact NE-OE1 3.46Å; R320-E322 IonicContact NH2-OE1 3.19Å; R320-E322 PolarHBondContact NH2-OE1 2.97Å; R320-A360 HydrophobicContact CB-CB 3.61Å; R320-A360 HydrophobicContact CG-CB 3.84Å; R320-P361 PolarHBondContact NH1-O 2.95Å; R320-D399 HydrophobicContact CG-CB 4.19Å; R320-A400 WeakPolarHBondContact CA-O 3.49Å |
| 321 | V | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V310 L312 V323 V332 F337 I345 A400 V402 | V310-V321 HydrophobicContact CG1-CG1 4.31Å; L312-V321 HydrophobicContact CD2-CG2 4.06Å; V321-V323 HydrophobicContact CG1-CG2 4.23Å; V321-V332 HydrophobicContact CB-CG2 4.4Å; V321-V332 HydrophobicContact CG1-CG2 3.96Å; V321-F337 HydrophobicContact CG2-CZ 4.19Å; V321-I345 HydrophobicContact CG1-CD1 3.63Å; V321-I345 HydrophobicContact CG1-CG1 4.06Å; V321-I345 HydrophobicContact CG1-CG2 4.14Å; V321-I345 HydrophobicContact CG2-CG2 4.08Å; V321-A400 PolarHBondContact N-O 3.45Å; V321-V402 HydrophobicContact CG2-CB 4.28Å; V321-V402 HydrophobicContact CG2-CG1 3.94Å |
| 322 | E | 98.3 | Very high | 95.3 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.9 | 169.6 | -70.6 | -179.2 | -169.5 | 0 | 0 | 110 | V310 R311 V313 R320 W329 G330 T331 | V310-E322 CarbonylContact C-O 3.52Å; V310-E322 WeakPolarHBondContact CA-O 3.35Å; R311-E322 HydrophobicContact CG-CB 3.88Å; R311-E322 IonicContact CZ-OE2 3.21Å; R311-E322 PolarHBondContact N-O 3.19Å; R311-E322 IonicContact NE-OE2 2.89Å; R311-E322 PolarHBondContact NE-OE2 3.38Å; R311-E322 IonicContact NH2-OE2 2.68Å; R311-E322 PolarHBondContact NH2-OE2 2.98Å; R311-E322 PolarHBondContact O-N 2.93Å; V313-E322 VanDerWaalsContact CG2-CD 3.5Å; V313-E322 HydrophobicContact CG2-CG 4.21Å; V313-E322 WeakPolarHBondContact CG2-OE2 3.19Å; R320-E322 IonicContact CZ-OE1 3.68Å; R320-E322 IonicContact NE-OE1 2.96Å; R320-E322 PolarHBondContact NE-OE1 3.46Å; R320-E322 IonicContact NH2-OE1 3.19Å; R320-E322 PolarHBondContact NH2-OE1 2.97Å; E322-W329 HydrophobicContact CB-CE3 4.07Å; E322-W329 WeakPolarHBondContact O-CZ3 3.38Å; E322-G330 CarbonylContact C-O 3.22Å; E322-G330 WeakPolarHBondContact CA-O 3.04Å; E322-T331 HydrophobicContact CG-CG2 4.14Å |
| 323 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.9 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | N309 V310 V321 V325 G330 V332 L369 I381 M382 | N309-V323 CarbonylContact O-C 3.37Å; N309-V323 VanDerWaalsContact O-CA 3.24Å; N309-V323 WeakPolarHBondContact O-CA 3.49Å; N309-V323 VanDerWaalsContact O-CG1 3.31Å; N309-V323 WeakPolarHBondContact O-CG1 3.38Å; V310-V323 HydrophobicContact CG2-CG1 4.45Å; V310-V323 HydrophobicContact CG2-CG2 4.29Å; V321-V323 HydrophobicContact CG1-CG2 4.23Å; V323-V325 HydrophobicContact CG1-CG2 4.49Å; V323-G330 PolarHBondContact N-O 3.39Å; V323-G330 PolarHBondContact O-N 3.4Å; V323-V332 HydrophobicContact CG2-CG2 3.62Å; V323-L369 HydrophobicContact CG2-CD1 4.31Å; V323-I381 HydrophobicContact CG1-CG2 4.09Å; V323-I381 HydrophobicContact CG2-CG2 4.29Å; V323-M382 HydrophobicContact CG1-CE 3.59Å |
| 324 | K | 93.9 | Very high | 95.3 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 27% | 0.265 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.9 | -179.5 | -161.2 | -178.1 | -171.1 | -173.8 | 0 | 110.1 | N309 G327 A328 W329 | N309-K324 PolarHBondContact O-N 3.1Å; K324-G327 WeakPolarHBondContact CE-O 3.11Å; K324-A328 WeakPolarHBondContact CA-O 3.37Å; K324-W329 HydrophobicContact CB-CD2 4.01Å; K324-W329 HydrophobicContact CB-CE3 3.84Å; K324-W329 HydrophobicContact CB-CH2 3.98Å; K324-W329 HydrophobicContact CB-CZ2 4.15Å; K324-W329 HydrophobicContact CB-CZ3 3.82Å; K324-W329 HydrophobicContact CD-CZ2 4.01Å; K324-W329 HydrophobicContact CG-CD2 4.2Å; K324-W329 HydrophobicContact CG-CZ2 4.39Å |
| 325 | V | 89.3 | Confident | 95.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126 | 178.1 | -176 | 0 | 0 | 0 | 0 | 109.3 | V323 G327 A328 W368 M382 V389 | V323-V325 HydrophobicContact CG1-CG2 4.49Å; V325-G327 PolarHBondContact O-N 3.42Å; V325-G327 VanDerWaalsContact O-N 3.14Å; V325-A328 PolarHBondContact N-O 2.87Å; V325-A328 PolarHBondContact O-N 2.93Å; V325-W368 HydrophobicContact CB-CD2 3.86Å; V325-W368 HydrophobicContact CB-CE3 4.18Å; V325-W368 HydrophobicContact CB-CG 4.24Å; V325-W368 HydrophobicContact CB-CH2 4.45Å; V325-W368 HydrophobicContact CB-CZ2 4.16Å; V325-W368 HydrophobicContact CB-CZ3 4.43Å; V325-W368 HydrophobicContact CG1-CE3 4.38Å; V325-W368 HydrophobicContact CG1-CZ3 4.42Å; V325-W368 HydrophobicContact CG2-CB 4.07Å; V325-W368 HydrophobicContact CG2-CD2 3.77Å; V325-W368 HydrophobicContact CG2-CE3 4.28Å; V325-W368 HydrophobicContact CG2-CG 3.63Å; V325-M382 HydrophobicContact CG2-CE 3.37Å; V325-V389 HydrophobicContact CG1-CG1 3.73Å; V325-V389 HydrophobicContact CG2-CG1 4.26Å |
| 326 | N | 86.9 | Confident | 95.6 | Very high | 165 Ų | 165 | 41.6 Ų | 41.6 | 88% | 0.882 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.7 | -179.3 | -61.5 | -45 | 0 | 0 | 0 | 113.4 | A328 | N326-A328 VanDerWaalsContact C-N 3.33Å; N326-A328 PolarHBondContact O-N 3.26Å |
| 327 | G | 88.5 | Confident | 95.9 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 60% | 0.598 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -8.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K324 V325 | K324-G327 WeakPolarHBondContact CE-O 3.11Å; V325-G327 PolarHBondContact O-N 3.42Å; V325-G327 VanDerWaalsContact O-N 3.14Å |
| 328 | A | 91.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 39 Ų | 39 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K324 V325 N326 W368 | K324-A328 WeakPolarHBondContact CA-O 3.37Å; V325-A328 PolarHBondContact N-O 2.87Å; V325-A328 PolarHBondContact O-N 2.93Å; N326-A328 VanDerWaalsContact C-N 3.33Å; N326-A328 PolarHBondContact O-N 3.26Å; A328-W368 HydrophobicContact CB-CZ2 4.1Å; A328-W368 PolarHBondContact O-NE1 3.42Å |
| 329 | W | 96.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 148.2 | 173.8 | -69.6 | 103.4 | 0 | 0 | 0 | 111.3 | A308 R311 E322 K324 | A308-W329 WeakPolarHBondContact O-CH2 3.42Å; R311-W329 HydrophobicContact CB-CH2 3.93Å; R311-W329 HydrophobicContact CB-CZ3 4.04Å; R311-W329 HydrophobicContact CG-CE3 3.95Å; R311-W329 HydrophobicContact CG-CH2 3.81Å; R311-W329 HydrophobicContact CG-CZ2 4.42Å; R311-W329 HydrophobicContact CG-CZ3 3.55Å; E322-W329 HydrophobicContact CB-CE3 4.07Å; E322-W329 WeakPolarHBondContact O-CZ3 3.38Å; K324-W329 HydrophobicContact CB-CD2 4.01Å; K324-W329 HydrophobicContact CB-CE3 3.84Å; K324-W329 HydrophobicContact CB-CH2 3.98Å; K324-W329 HydrophobicContact CB-CZ2 4.15Å; K324-W329 HydrophobicContact CB-CZ3 3.82Å; K324-W329 HydrophobicContact CD-CZ2 4.01Å; K324-W329 HydrophobicContact CG-CD2 4.2Å; K324-W329 HydrophobicContact CG-CZ2 4.39Å |
| 330 | G | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E322 V323 K366 W368 | E322-G330 CarbonylContact C-O 3.22Å; E322-G330 WeakPolarHBondContact CA-O 3.04Å; V323-G330 PolarHBondContact N-O 3.39Å; V323-G330 PolarHBondContact O-N 3.4Å; G330-K366 CarbonylContact C-O 3.51Å; G330-K366 WeakPolarHBondContact CA-O 3.38Å; G330-W368 VanDerWaalsContact N-NE1 3.16Å |
| 331 | T | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 176.7 | -171.5 | 59 | 0 | 0 | 0 | 0 | 111.7 | E322 K366 I367 W368 H396 D399 | E322-T331 HydrophobicContact CG-CG2 4.14Å; T331-K366 PolarHBondContact N-O 3.49Å; T331-I367 WeakPolarHBondContact OG1-CG1 3.49Å; T331-W368 PolarHBondContact O-N 2.92Å; T331-H396 PolarHBondContact OG1-CE1 3.27Å; T331-H396 PolarHBondContact OG1-ND1 3.42Å; T331-D399 VanDerWaalsContact CB-CG 3.5Å; T331-D399 WeakPolarHBondContact CB-OD1 3.21Å; T331-D399 WeakPolarHBondContact CG2-OD2 3.47Å; T331-D399 PolarHBondContact OG1-OD1 3.37Å |
| 332 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.9 | 178 | 178 | 0 | 0 | 0 | 0 | 106.9 | V321 V323 F337 L369 L372 D399 A400 | V321-V332 HydrophobicContact CB-CG2 4.4Å; V321-V332 HydrophobicContact CG1-CG2 3.96Å; V323-V332 HydrophobicContact CG2-CG2 3.62Å; V332-F337 HydrophobicContact CG1-CD2 3.93Å; V332-F337 HydrophobicContact CG1-CE2 3.97Å; V332-L369 WeakPolarHBondContact CA-O 3.33Å; V332-L369 HydrophobicContact CG1-CB 4.1Å; V332-L369 HydrophobicContact CG2-CB 4.26Å; V332-L369 HydrophobicContact CG2-CD1 4.42Å; V332-L372 HydrophobicContact CG1-CD1 3.48Å; V332-L372 VanDerWaalsContact CG1-CD1 3.48Å; V332-D399 CarbonylContact O-C 3.6Å; V332-D399 WeakPolarHBondContact O-CA 3.43Å; V332-A400 HydrophobicContact CB-CB 4.32Å; V332-A400 HydrophobicContact CG1-CB 4.27Å; V332-A400 WeakPolarHBondContact O-CB 3.37Å; V332-A400 PolarHBondContact O-N 3.45Å |
| 333 | C | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 148.6 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | D335 I367 L369 D370 C394 E398 | C333-D335 PolarHBondContact SG-N 3.46Å; C333-I367 HydrophobicContact CB-CG2 4.16Å; C333-L369 PolarHBondContact N-O 2.9Å; C333-D370 HydrophobicContact CB-CB 4.02Å; C333-D370 WeakPolarHBondContact CB-OD1 3.49Å; C333-C394 HydrophobicContact CB-CB 3.7Å; C333-C394 WeakPolarHBondContact CB-SG 3.36Å; C333-C394 WeakPolarHBondContact SG-CB 3.3Å; C333-C394 CovalentContact SG-SG 2.02Å; C333-C394 PolarHBondContact SG-SG 2.91Å; C333-E398 CarbonylContact C-O 3.5Å; C333-E398 WeakPolarHBondContact CA-O 3.17Å |
| 334 | D | 98.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | trans | -86.6 | -5.6 | 178.5 | 73.9 | -9.8 | 0 | 0 | 0 | 114.2 | N336 F337 T359 E398 A400 | D334-N336 PolarHBondContact O-N 3.25Å; D334-N336 VanDerWaalsContact O-N 3.16Å; D334-F337 HydrophobicContact CB-CB 4.43Å; D334-F337 WeakPolarHBondContact O-CB 3.27Å; D334-F337 PolarHBondContact O-N 2.9Å; D334-T359 WeakPolarHBondContact OD2-CB 3.46Å; D334-T359 WeakPolarHBondContact OD2-CG2 3.38Å; D334-T359 PolarHBondContact OD2-OG1 2.89Å; D334-E398 WeakPolarHBondContact CB-O 3.37Å; D334-E398 PolarHBondContact N-O 2.92Å; D334-E398 WeakPolarHBondContact OD1-CB 3.37Å; D334-A400 HydrophobicContact CB-CB 4.03Å | ||
| 335 | D | 97.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 118.9 | 170.2 | -90.1 | -1.5 | 0 | 0 | 0 | 110.4 | C333 F337 D371 | C333-D335 PolarHBondContact SG-N 3.46Å; D335-F337 PolarHBondContact O-N 2.83Å; D335-D371 PolarHBondContact O-N 2.71Å |
| 336 | N | 95.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 37.6 Ų | 37.6 | 58% | 0.578 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 13.9 | -173 | -67.2 | -45.4 | 0 | 0 | 0 | 115.5 | D334 G338 D371 | D334-N336 PolarHBondContact O-N 3.25Å; D334-N336 VanDerWaalsContact O-N 3.16Å; N336-G338 PolarHBondContact O-N 3.41Å; N336-G338 VanDerWaalsContact O-N 3.16Å; N336-D371 PolarHBondContact ND2-OD1 3.28Å |
| 337 | F | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | trans | -75.9 | 104.7 | 178.9 | -169.8 | -89.6 | 0 | 0 | 0 | 111.2 | V321 V332 D334 D335 D341 T357 L372 A400 | V321-F337 HydrophobicContact CG2-CZ 4.19Å; V332-F337 HydrophobicContact CG1-CD2 3.93Å; V332-F337 HydrophobicContact CG1-CE2 3.97Å; D334-F337 HydrophobicContact CB-CB 4.43Å; D334-F337 WeakPolarHBondContact O-CB 3.27Å; D334-F337 PolarHBondContact O-N 2.9Å; D335-F337 PolarHBondContact O-N 2.83Å; F337-D341 HydrophobicContact CD2-CB 3.95Å; F337-D341 HydrophobicContact CE2-CB 3.77Å; F337-D341 HydrophobicContact CG-CB 4.49Å; F337-D341 HydrophobicContact CZ-CB 4.19Å; F337-T357 HydrophobicContact CD1-CG2 3.94Å; F337-T357 HydrophobicContact CE1-CG2 3.63Å; F337-L372 HydrophobicContact CD2-CD1 3.97Å; F337-L372 HydrophobicContact CE2-CD1 3.99Å; F337-A400 HydrophobicContact CB-CB 4.22Å; F337-A400 HydrophobicContact CD1-CB 3.72Å; F337-A400 HydrophobicContact CD2-CB 3.81Å; F337-A400 HydrophobicContact CE1-CB 3.96Å; F337-A400 HydrophobicContact CE2-CB 4.07Å; F337-A400 HydrophobicContact CG-CB 3.64Å; F337-A400 HydrophobicContact CZ-CB 4.14Å | ||
| 338 | G | 96.4 | Very high | 97 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | trans | -112 | 179.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N336 P340 D341 G342 T357 | N336-G338 PolarHBondContact O-N 3.41Å; N336-G338 VanDerWaalsContact O-N 3.16Å; G338-P340 VanDerWaalsContact C-N 3.33Å; G338-D341 WeakPolarHBondContact CA-OD2 3.34Å; G338-D341 PolarHBondContact N-OD2 2.99Å; G338-D341 WeakPolarHBondContact O-CB 3.49Å; G338-D341 PolarHBondContact O-N 3.5Å; G338-D341 VanDerWaalsContact O-N 3.1Å; G338-G342 PolarHBondContact O-N 2.74Å; G338-T357 WeakPolarHBondContact O-CG2 3.41Å | ||
| 339 | T | 96.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 39% | 0.387 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.4 | -30.7 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | D341 G342 K343 T357 | T339-D341 VanDerWaalsContact C-N 3.35Å; T339-G342 PolarHBondContact O-N 2.78Å; T339-K343 VanDerWaalsContact O-CG 3.28Å; T339-K343 WeakPolarHBondContact O-CG 3.05Å; T339-K343 PolarHBondContact O-N 2.78Å; T339-T357 HydrophobicContact CG2-CG2 4.47Å |
| 340 | P | 97.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 32.9 Ų | 32.9 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 170.5 | -25.4 | 37.2 | 0 | 0 | 0 | 113.1 | G338 K343 V344 C374 | G338-P340 VanDerWaalsContact C-N 3.33Å; P340-K343 WeakPolarHBondContact O-CB 3.47Å; P340-K343 PolarHBondContact O-N 2.56Å; P340-V344 PolarHBondContact O-N 2.02Å; P340-C374 HydrophobicContact CB-CB 4.46Å; P340-C374 VanDerWaalsContact CB-O 3.25Å; P340-C374 WeakPolarHBondContact CB-O 3.5Å |
| 341 | D | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 177.6 | -43.1 | -68.3 | 0 | 0 | 0 | 110.4 | F337 G338 T339 K343 V344 I345 L372 C374 | F337-D341 HydrophobicContact CD2-CB 3.95Å; F337-D341 HydrophobicContact CE2-CB 3.77Å; F337-D341 HydrophobicContact CG-CB 4.49Å; F337-D341 HydrophobicContact CZ-CB 4.19Å; G338-D341 WeakPolarHBondContact CA-OD2 3.34Å; G338-D341 PolarHBondContact N-OD2 2.99Å; G338-D341 WeakPolarHBondContact O-CB 3.49Å; G338-D341 PolarHBondContact O-N 3.5Å; G338-D341 VanDerWaalsContact O-N 3.1Å; T339-D341 VanDerWaalsContact C-N 3.35Å; D341-K343 VanDerWaalsContact C-N 3.28Å; D341-K343 PolarHBondContact O-N 3.41Å; D341-V344 PolarHBondContact O-N 2.98Å; D341-I345 WeakPolarHBondContact O-CG1 3.34Å; D341-I345 PolarHBondContact O-N 3.33Å; D341-I345 VanDerWaalsContact O-N 3.12Å; D341-L372 HydrophobicContact CB-CB 4.31Å; D341-L372 WeakPolarHBondContact OD1-CB 3.15Å; D341-C374 HydrophobicContact CB-CB 4.4Å; D341-C374 WeakPolarHBondContact OD1-CB 3.17Å; D341-C374 PolarHBondContact OD1-N 3.31Å; D341-C374 PolarHBondContact OD1-SG 3.5Å |
| 342 | G | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.9 | -39.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G338 T339 V344 I345 C346 | G338-G342 PolarHBondContact O-N 2.74Å; T339-G342 PolarHBondContact O-N 2.78Å; G342-V344 VanDerWaalsContact C-N 3.35Å; G342-V344 PolarHBondContact O-N 2.88Å; G342-I345 PolarHBondContact O-N 2.88Å; G342-C346 WeakPolarHBondContact O-CB 3.37Å; G342-C346 PolarHBondContact O-N 2.94Å; G342-C346 PolarHBondContact O-SG 2.66Å; G342-C346 VanDerWaalsContact O-SG 3.34Å |
| 343 | K | 98 | Very high | 96.7 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 178.5 | -78.9 | 170.6 | -174.5 | 174.2 | 0 | 112.1 | T339 P340 D341 R347 T353 A354 | T339-K343 VanDerWaalsContact O-CG 3.28Å; T339-K343 WeakPolarHBondContact O-CG 3.05Å; T339-K343 PolarHBondContact O-N 2.78Å; P340-K343 WeakPolarHBondContact O-CB 3.47Å; P340-K343 PolarHBondContact O-N 2.56Å; D341-K343 VanDerWaalsContact C-N 3.28Å; D341-K343 PolarHBondContact O-N 3.41Å; K343-R347 VanDerWaalsContact O-CB 3.24Å; K343-R347 WeakPolarHBondContact O-CB 3.37Å; K343-R347 PolarHBondContact O-N 3.27Å; K343-T353 WeakPolarHBondContact CG-OG1 3.48Å; K343-A354 HydrophobicContact CG-CB 4.32Å |
| 344 | V | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 176 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | P340 D341 G342 C346 R347 M348 C374 E378 I381 | P340-V344 PolarHBondContact O-N 2.02Å; D341-V344 PolarHBondContact O-N 2.98Å; G342-V344 VanDerWaalsContact C-N 3.35Å; G342-V344 PolarHBondContact O-N 2.88Å; V344-C346 PolarHBondContact O-N 2.69Å; V344-R347 PolarHBondContact O-N 3.48Å; V344-M348 HydrophobicContact CG1-CG 4.48Å; V344-M348 HydrophobicContact CG1-SD 4.09Å; V344-M348 VanDerWaalsContact O-CG 3.31Å; V344-M348 WeakPolarHBondContact O-CG 3.17Å; V344-M348 PolarHBondContact O-N 3.37Å; V344-C374 HydrophobicContact CG2-CB 4.04Å; V344-E378 HydrophobicContact CG1-CB 4.27Å; V344-E378 WeakPolarHBondContact CG1-O 3.25Å; V344-E378 HydrophobicContact CG2-CB 3.98Å; V344-I381 HydrophobicContact CB-CD1 4.48Å; V344-I381 HydrophobicContact CG1-CB 4.44Å; V344-I381 HydrophobicContact CG1-CD1 4.28Å |
| 345 | I | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.1 | -52.4 | 177.8 | -66.5 | -64.9 | 0 | 0 | 0 | 112.1 | V310 L312 V321 D341 G342 R347 M348 L349 I381 V402 | V310-I345 HydrophobicContact CG1-CD1 3.75Å; V310-I345 HydrophobicContact CG1-CG2 3.95Å; V310-I345 HydrophobicContact CG2-CD1 4.14Å; L312-I345 HydrophobicContact CD2-CG2 4.32Å; V321-I345 HydrophobicContact CG1-CD1 3.63Å; V321-I345 HydrophobicContact CG1-CG1 4.06Å; V321-I345 HydrophobicContact CG1-CG2 4.14Å; V321-I345 HydrophobicContact CG2-CG2 4.08Å; D341-I345 WeakPolarHBondContact O-CG1 3.34Å; D341-I345 PolarHBondContact O-N 3.33Å; D341-I345 VanDerWaalsContact O-N 3.12Å; G342-I345 PolarHBondContact O-N 2.88Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.16Å; I345-M348 WeakPolarHBondContact O-CB 3.28Å; I345-M348 PolarHBondContact O-N 3.02Å; I345-L349 HydrophobicContact CG2-CD1 3.83Å; I345-L349 WeakPolarHBondContact O-CG 3.44Å; I345-L349 PolarHBondContact O-N 3.46Å; I345-I381 HydrophobicContact CD1-CB 3.86Å; I345-I381 HydrophobicContact CD1-CD1 3.71Å; I345-I381 HydrophobicContact CD1-CG1 3.67Å; I345-I381 HydrophobicContact CD1-CG2 4.35Å; I345-I381 HydrophobicContact CG1-CD1 3.92Å; I345-I381 HydrophobicContact CG1-CG1 4.43Å; I345-V402 HydrophobicContact CG2-CG1 3.94Å |
| 346 | C | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | -178.7 | -73 | 0 | 0 | 0 | 0 | 111.8 | G342 V344 L349 G350 F351 T353 A354 V402 C404 | G342-C346 WeakPolarHBondContact O-CB 3.37Å; G342-C346 PolarHBondContact O-N 2.94Å; G342-C346 PolarHBondContact O-SG 2.66Å; G342-C346 VanDerWaalsContact O-SG 3.34Å; V344-C346 PolarHBondContact O-N 2.69Å; C346-L349 CarbonylContact O-C 3.57Å; C346-L349 PolarHBondContact O-N 3.48Å; C346-G350 PolarHBondContact O-N 3.42Å; C346-F351 HydrophobicContact CB-CB 4.06Å; C346-F351 WeakPolarHBondContact O-CA 3.39Å; C346-F351 WeakPolarHBondContact O-CB 3.38Å; C346-F351 PolarHBondContact O-N 3.33Å; C346-T353 WeakPolarHBondContact CB-O 3.45Å; C346-A354 HydrophobicContact CB-CB 4.49Å; C346-V402 VanDerWaalsContact SG-CG2 3.52Å; C346-C404 WeakPolarHBondContact CA-SG 3.36Å; C346-C404 HydrophobicContact CB-CB 3.72Å; C346-C404 WeakPolarHBondContact CB-SG 3.38Å; C346-C404 WeakPolarHBondContact SG-CA 3.47Å; C346-C404 WeakPolarHBondContact SG-CB 3.1Å; C346-C404 CovalentContact SG-SG 2.04Å; C346-C404 PolarHBondContact SG-SG 3.03Å |
| 347 | R | 95.8 | Very high | 96.8 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 176.6 | -172.4 | 170.7 | 65.3 | 177.8 | 5.6 | 112.8 | K343 V344 I345 L349 G350 F351 A377 E378 | K343-R347 VanDerWaalsContact O-CB 3.24Å; K343-R347 WeakPolarHBondContact O-CB 3.37Å; K343-R347 PolarHBondContact O-N 3.27Å; V344-R347 PolarHBondContact O-N 3.48Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.16Å; R347-L349 PolarHBondContact O-N 3.41Å; R347-G350 PolarHBondContact O-N 2.95Å; R347-G350 VanDerWaalsContact O-N 3.11Å; R347-F351 WeakPolarHBondContact CA-O 3.29Å; R347-A377 PolarHBondContact NH2-O 2.98Å; R347-E378 PolarHBondContact NH2-O 3.06Å |
| 348 | M | 94.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 172.1 | -70.3 | 175 | 79.6 | 0 | 0 | 111.5 | V310 V344 I345 G350 L379 D380 I381 | V310-M348 HydrophobicContact CB-CE 4.43Å; V310-M348 HydrophobicContact CG2-CE 3.47Å; V310-M348 VanDerWaalsContact CG2-CE 3.47Å; V310-M348 HydrophobicContact CG2-SD 3.85Å; V344-M348 HydrophobicContact CG1-CG 4.48Å; V344-M348 HydrophobicContact CG1-SD 4.09Å; V344-M348 VanDerWaalsContact O-CG 3.31Å; V344-M348 WeakPolarHBondContact O-CG 3.17Å; V344-M348 PolarHBondContact O-N 3.37Å; I345-M348 WeakPolarHBondContact O-CB 3.28Å; I345-M348 PolarHBondContact O-N 3.02Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.06Å; M348-L379 WeakPolarHBondContact CG-O 3.18Å; M348-D380 HydrophobicContact CE-CB 4.27Å; M348-I381 HydrophobicContact CE-CG2 4.32Å; M348-I381 HydrophobicContact SD-CB 3.92Å; M348-I381 HydrophobicContact SD-CG2 4.19Å; M348-I381 PolarHBondContact SD-N 2.89Å |
| 349 | L | 94.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.3 | 177 | -65 | 165.9 | 0 | 0 | 0 | 114.1 | V310 L312 I345 C346 R347 F351 | V310-L349 HydrophobicContact CG1-CD1 4.38Å; V310-L349 HydrophobicContact CG1-CD2 4.32Å; V310-L349 HydrophobicContact CG1-CG 4.31Å; V310-L349 WeakPolarHBondContact O-CD2 3.43Å; L312-L349 HydrophobicContact CD1-CD1 3.92Å; L312-L349 HydrophobicContact CD2-CD1 3.79Å; L312-L349 HydrophobicContact CG-CD1 3.54Å; I345-L349 HydrophobicContact CG2-CD1 3.83Å; I345-L349 WeakPolarHBondContact O-CG 3.44Å; I345-L349 PolarHBondContact O-N 3.46Å; C346-L349 CarbonylContact O-C 3.57Å; C346-L349 PolarHBondContact O-N 3.48Å; R347-L349 PolarHBondContact O-N 3.41Å; L349-F351 HydrophobicContact CB-CD2 3.87Å; L349-F351 HydrophobicContact CB-CE2 4.11Å |
| 350 | G | 94.7 | Very high | 96.9 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 2.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | C346 R347 M348 | C346-G350 PolarHBondContact O-N 3.42Å; R347-G350 PolarHBondContact O-N 2.95Å; R347-G350 VanDerWaalsContact O-N 3.11Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.06Å |
| 351 | F | 95.7 | Very high | 96.9 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | trans | -79.9 | 168.1 | 172.4 | -62.4 | -84.8 | 0 | 0 | 0 | 111.8 | C346 R347 L349 C404 | C346-F351 HydrophobicContact CB-CB 4.06Å; C346-F351 WeakPolarHBondContact O-CA 3.39Å; C346-F351 WeakPolarHBondContact O-CB 3.38Å; C346-F351 PolarHBondContact O-N 3.33Å; R347-F351 WeakPolarHBondContact CA-O 3.29Å; L349-F351 HydrophobicContact CB-CD2 3.87Å; L349-F351 HydrophobicContact CB-CE2 4.11Å; F351-C404 HydrophobicContact CB-CB 3.67Å; F351-C404 HydrophobicContact CD1-CB 3.77Å; F351-C404 HydrophobicContact CD2-CB 3.52Å; F351-C404 HydrophobicContact CE1-CB 4.28Å; F351-C404 HydrophobicContact CE2-CB 4.07Å; F351-C404 HydrophobicContact CG-CB 3.36Å; F351-C404 HydrophobicContact CZ-CB 4.42Å | ||
| 352 | Q | 94.1 | Very high | 96.9 | Very high | 155 Ų | 155 | 52.6 Ų | 52.6 | 72% | 0.724 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -81.8 | -40.2 | -178.4 | -60.2 | -172.3 | 24.4 | 0 | 0 | 111.9 | A405 | Q352-A405 PolarHBondContact N-O 3.18Š|
| 353 | T | 96.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 30% | 0.298 | S | S | . | . | trans | -157.7 | 168.1 | -175.5 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | K343 C346 C404 A405 | K343-T353 WeakPolarHBondContact CG-OG1 3.48Å; C346-T353 WeakPolarHBondContact CB-O 3.45Å; T353-C404 WeakPolarHBondContact O-CA 3.47Å; T353-A405 PolarHBondContact N-O 3.24Å; T353-A405 PolarHBondContact O-N 3.45Å | ||
| 354 | A | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K343 C346 V402 Q403 | K343-A354 HydrophobicContact CG-CB 4.32Å; C346-A354 HydrophobicContact CB-CB 4.49Å; A354-V402 HydrophobicContact CB-CG2 3.58Å; A354-Q403 CarbonylContact C-O 3.48Å; A354-Q403 VanDerWaalsContact CA-O 3.29Å; A354-Q403 WeakPolarHBondContact CA-O 3.31Å |
| 355 | T | 97.6 | Very high | 96.5 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -23.5 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | Q403 A405 | T355-Q403 PolarHBondContact N-O 3.46Å; T355-Q403 WeakPolarHBondContact OG1-CG 3.49Å; T355-Q403 PolarHBondContact OG1-O 2.76Å; T355-A405 HydrophobicContact CG2-CB 3.5Å |
| 356 | D | 97.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 155.9 | -176.3 | -169.3 | 30.6 | 0 | 0 | 0 | 111.5 | R318 V402 Q403 | R318-D356 IonicContact NH1-OD2 2.83Å; D356-V402 WeakPolarHBondContact O-CG2 3.43Å; D356-Q403 HydrophobicContact CB-CB 3.95Å; D356-Q403 PolarHBondContact O-N 2.98Å |
| 357 | T | 98.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145.6 | 173.4 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | F337 G338 T339 G401 V402 | F337-T357 HydrophobicContact CD1-CG2 3.94Å; F337-T357 HydrophobicContact CE1-CG2 3.63Å; G338-T357 WeakPolarHBondContact O-CG2 3.41Å; T339-T357 HydrophobicContact CG2-CG2 4.47Å; T357-G401 WeakPolarHBondContact CA-O 3.39Å; T357-V402 HydrophobicContact CG2-CG2 4.24Å |
| 358 | F | 98.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 156.4 | -173.5 | 61.6 | -85 | 0 | 0 | 0 | 111.9 | R318 A360 G401 | R318-F358 HydrophobicContact CG-CE1 3.71Å; R318-F358 HydrophobicContact CG-CZ 3.85Å; R318-F358 VanDerWaalsContact CZ-CD1 3.48Å; R318-F358 VanDerWaalsContact NH2-CG 3.34Å; F358-A360 HydrophobicContact CD2-CB 4.36Å; F358-A360 HydrophobicContact CE2-CB 3.9Å; F358-A360 PolarHBondContact O-N 3.48Å; F358-G401 PolarHBondContact N-O 2.86Å; F358-G401 WeakPolarHBondContact O-CA 3.27Å; F358-G401 PolarHBondContact O-N 3.4Å |
| 359 | T | 98.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 113.1 | 166 | -45.3 | 0 | 0 | 0 | 0 | 109.5 | D334 S397 | D334-T359 WeakPolarHBondContact OD2-CB 3.46Å; D334-T359 WeakPolarHBondContact OD2-CG2 3.38Å; D334-T359 PolarHBondContact OD2-OG1 2.89Å; T359-S397 WeakPolarHBondContact CG2-O 3.43Å |
| 360 | A | 98 | Very high | 96.9 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 161 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R320 F358 D399 | R320-A360 HydrophobicContact CB-CB 3.61Å; R320-A360 HydrophobicContact CG-CB 3.84Å; F358-A360 HydrophobicContact CD2-CB 4.36Å; F358-A360 HydrophobicContact CE2-CB 3.9Å; F358-A360 PolarHBondContact O-N 3.48Å; A360-D399 WeakPolarHBondContact CB-O 3.25Å; A360-D399 PolarHBondContact N-O 3.17Å |
| 361 | P | 97.4 | Very high | 97 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -55.6 | 142.2 | 169.2 | -24.7 | 34.5 | 0 | 0 | 0 | 111.1 | R320 G363 | R320-P361 PolarHBondContact NH1-O 2.95Å; P361-G363 PolarHBondContact O-N 3.44Å |
| 362 | P | 97.8 | Very high | 97 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 132.3 | -176.1 | -29.1 | 34.3 | 0 | 0 | 0 | 114 | H396 | P362-H396 WeakPolarHBondContact CA-O 3.33Å; P362-H396 HydrophobicContact CB-CB 3.89Å; P362-H396 WeakPolarHBondContact CB-O 3.4Å |
| 363 | G | 96.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | trans | -85.9 | -159 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P361 D399 | P361-G363 PolarHBondContact O-N 3.44Å; G363-D399 WeakPolarHBondContact CA-OD2 3.45Å; G363-D399 PolarHBondContact N-OD2 2.94Å | ||
| 364 | T | 94.5 | Very high | 97.1 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 73% | 0.73 | 28% | 0.284 | S | S | * | . | trans | -144.4 | 160.9 | 178.9 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | H396 | T364-H396 VanDerWaalsContact C-NE2 3.32Å; T364-H396 WeakPolarHBondContact CA-NE2 3.32Å | ||
| 365 | G | 94.3 | Very high | 96.9 | Very high | 66 Ų | 66 | 53 Ų | 53 | 68% | 0.68 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 92.2 | -132 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | H396 | G365-H396 PolarHBondContact N-NE2 2.83Å; G365-H396 PolarHBondContact O-NE2 3.35Å |
| 366 | K | 95.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138.1 | -174.8 | -173.9 | 148.2 | 173.5 | -176.3 | 0 | 110.5 | G330 T331 W368 | G330-K366 CarbonylContact C-O 3.51Å; G330-K366 WeakPolarHBondContact CA-O 3.38Å; T331-K366 PolarHBondContact N-O 3.49Å; K366-W368 HydrophobicContact CB-CD2 4.4Å; K366-W368 HydrophobicContact CB-CH2 4.27Å; K366-W368 HydrophobicContact CB-CZ2 4.06Å; K366-W368 HydrophobicContact CD-CD2 4.48Å; K366-W368 HydrophobicContact CD-CE3 3.84Å; K366-W368 HydrophobicContact CD-CH2 3.49Å; K366-W368 VanDerWaalsContact CD-CH2 3.49Å; K366-W368 HydrophobicContact CD-CZ2 4.15Å; K366-W368 HydrophobicContact CD-CZ3 3.33Å; K366-W368 HydrophobicContact CG-CD2 4.05Å; K366-W368 HydrophobicContact CG-CE3 3.8Å; K366-W368 HydrophobicContact CG-CH2 4Å; K366-W368 HydrophobicContact CG-CZ2 4.21Å; K366-W368 HydrophobicContact CG-CZ3 3.81Å |
| 367 | I | 97.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.9 | 164.8 | -55.2 | 173.2 | 0 | 0 | 0 | 106.5 | T331 C333 N392 C394 | T331-I367 WeakPolarHBondContact OG1-CG1 3.49Å; C333-I367 HydrophobicContact CB-CG2 4.16Å; I367-N392 HydrophobicContact CG2-CB 4.34Å; I367-N392 PolarHBondContact O-ND2 3.36Å; I367-C394 HydrophobicContact CD1-CB 3.98Å; I367-C394 WeakPolarHBondContact CD1-O 3.39Å |
| 368 | W | 97.6 | Very high | 96 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -35.6 | -173.6 | -74.3 | 132.9 | 0 | 0 | 0 | 113.7 | V325 A328 G330 T331 K366 V389 G390 | V325-W368 HydrophobicContact CB-CD2 3.86Å; V325-W368 HydrophobicContact CB-CE3 4.18Å; V325-W368 HydrophobicContact CB-CG 4.24Å; V325-W368 HydrophobicContact CB-CH2 4.45Å; V325-W368 HydrophobicContact CB-CZ2 4.16Å; V325-W368 HydrophobicContact CB-CZ3 4.43Å; V325-W368 HydrophobicContact CG1-CE3 4.38Å; V325-W368 HydrophobicContact CG1-CZ3 4.42Å; V325-W368 HydrophobicContact CG2-CB 4.07Å; V325-W368 HydrophobicContact CG2-CD2 3.77Å; V325-W368 HydrophobicContact CG2-CE3 4.28Å; V325-W368 HydrophobicContact CG2-CG 3.63Å; A328-W368 HydrophobicContact CB-CZ2 4.1Å; A328-W368 PolarHBondContact O-NE1 3.42Å; G330-W368 VanDerWaalsContact N-NE1 3.16Å; T331-W368 PolarHBondContact O-N 2.92Å; K366-W368 HydrophobicContact CB-CD2 4.4Å; K366-W368 HydrophobicContact CB-CH2 4.27Å; K366-W368 HydrophobicContact CB-CZ2 4.06Å; K366-W368 HydrophobicContact CD-CD2 4.48Å; K366-W368 HydrophobicContact CD-CE3 3.84Å; K366-W368 HydrophobicContact CD-CH2 3.49Å; K366-W368 VanDerWaalsContact CD-CH2 3.49Å; K366-W368 HydrophobicContact CD-CZ2 4.15Å; K366-W368 HydrophobicContact CD-CZ3 3.33Å; K366-W368 HydrophobicContact CG-CD2 4.05Å; K366-W368 HydrophobicContact CG-CE3 3.8Å; K366-W368 HydrophobicContact CG-CH2 4Å; K366-W368 HydrophobicContact CG-CZ2 4.21Å; K366-W368 HydrophobicContact CG-CZ3 3.81Å; W368-V389 HydrophobicContact CE3-CG1 3.82Å; W368-V389 HydrophobicContact CZ3-CG1 4.35Å; W368-V389 CarbonylContact O-C 3.51Å; W368-V389 WeakPolarHBondContact O-CA 3.33Å; W368-G390 PolarHBondContact O-N 3.2Å |
| 369 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.8 | -173.5 | -61.3 | 173.9 | 0 | 0 | 0 | 109.2 | V323 V332 C333 L372 I381 M382 V389 | V323-L369 HydrophobicContact CG2-CD1 4.31Å; V332-L369 WeakPolarHBondContact CA-O 3.33Å; V332-L369 HydrophobicContact CG1-CB 4.1Å; V332-L369 HydrophobicContact CG2-CB 4.26Å; V332-L369 HydrophobicContact CG2-CD1 4.42Å; C333-L369 PolarHBondContact N-O 2.9Å; L369-L372 HydrophobicContact CB-CD1 4.17Å; L369-L372 HydrophobicContact CB-CD2 4.49Å; L369-L372 HydrophobicContact CB-CG 4.33Å; L369-L372 HydrophobicContact CD1-CD1 4.35Å; L369-L372 HydrophobicContact CD1-CD2 4.33Å; L369-I381 HydrophobicContact CD1-CG1 3.9Å; L369-I381 HydrophobicContact CD1-CG2 4.19Å; L369-M382 HydrophobicContact CD1-CE 4.44Å; L369-M382 HydrophobicContact CD1-SD 4.2Å; L369-M382 HydrophobicContact CD2-SD 3.95Å; L369-V389 HydrophobicContact CD2-CG2 4.41Å |
| 370 | D | 97.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | trans | -155.4 | 155.9 | -176.7 | -176.2 | 15 | 0 | 0 | 0 | 107.7 | C333 L372 P387 N392 N393 | C333-D370 HydrophobicContact CB-CB 4.02Å; C333-D370 WeakPolarHBondContact CB-OD1 3.49Å; D370-L372 PolarHBondContact O-N 3.36Å; D370-P387 WeakPolarHBondContact O-CD 3.46Å; D370-N392 HydrophobicContact CB-CB 3.55Å; D370-N392 WeakPolarHBondContact OD2-CA 3.42Å; D370-N392 VanDerWaalsContact OD2-CB 3.27Å; D370-N392 WeakPolarHBondContact OD2-CB 3.36Å; D370-N393 PolarHBondContact OD2-OD1 2.87Å | ||
| 371 | D | 96.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 50.3 | 43.2 | 177.8 | -94.5 | -24.6 | 0 | 0 | 0 | 113.2 | D335 N336 K373 P387 | D335-D371 PolarHBondContact O-N 2.71Å; N336-D371 PolarHBondContact ND2-OD1 3.28Å; D371-K373 PolarHBondContact O-N 3.05Å; D371-P387 HydrophobicContact CB-CG 3.7Å |
| 372 | L | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | trans | -65.6 | 128.6 | 178.8 | -78 | 165.6 | 0 | 0 | 0 | 110.2 | V332 F337 D341 L369 D370 I381 C384 H386 | V332-L372 HydrophobicContact CG1-CD1 3.48Å; V332-L372 VanDerWaalsContact CG1-CD1 3.48Å; F337-L372 HydrophobicContact CD2-CD1 3.97Å; F337-L372 HydrophobicContact CE2-CD1 3.99Å; D341-L372 HydrophobicContact CB-CB 4.31Å; D341-L372 WeakPolarHBondContact OD1-CB 3.15Å; L369-L372 HydrophobicContact CB-CD1 4.17Å; L369-L372 HydrophobicContact CB-CD2 4.49Å; L369-L372 HydrophobicContact CB-CG 4.33Å; L369-L372 HydrophobicContact CD1-CD1 4.35Å; L369-L372 HydrophobicContact CD1-CD2 4.33Å; D370-L372 PolarHBondContact O-N 3.36Å; L372-I381 HydrophobicContact CD1-CD1 3.92Å; L372-I381 HydrophobicContact CD1-CG1 4.14Å; L372-I381 HydrophobicContact CD2-CD1 4.22Å; L372-I381 HydrophobicContact CD2-CG1 4.32Å; L372-C384 HydrophobicContact CD2-CB 3.85Å; L372-H386 HydrophobicContact CD2-CB 4.09Å | ||
| 373 | K | 95.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 51.4 Ų | 51.4 | 52% | 0.522 | 30% | 0.3 | S | S | . | . | trans | -126.4 | 50.1 | -177.9 | -68.1 | 170.7 | -171.5 | 173.7 | 0 | 110.6 | D371 P385 | D371-K373 PolarHBondContact O-N 3.05Å; K373-P385 HydrophobicContact CB-CB 4.31Å; K373-P385 PolarHBondContact N-O 3.49Å; K373-P385 WeakPolarHBondContact O-CD 3.44Å | ||
| 374 | C | 95.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | trans | -59.7 | 145.9 | 176.7 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | P340 D341 V344 G376 C384 | P340-C374 HydrophobicContact CB-CB 4.46Å; P340-C374 VanDerWaalsContact CB-O 3.25Å; P340-C374 WeakPolarHBondContact CB-O 3.5Å; D341-C374 HydrophobicContact CB-CB 4.4Å; D341-C374 WeakPolarHBondContact OD1-CB 3.17Å; D341-C374 PolarHBondContact OD1-N 3.31Å; D341-C374 PolarHBondContact OD1-SG 3.5Å; V344-C374 HydrophobicContact CG2-CB 4.04Å; C374-G376 VanDerWaalsContact C-N 3.29Å; C374-C384 HydrophobicContact CB-CB 3.96Å; C374-C384 WeakPolarHBondContact CB-SG 3.15Å; C374-C384 WeakPolarHBondContact SG-CB 3.22Å; C374-C384 CovalentContact SG-SG 2.02Å; C374-C384 PolarHBondContact SG-SG 3.3Å | ||
| 375 | T | 94.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 49 Ų | 49 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | trans | -78 | -20.4 | 164.9 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | A377 E378 | T375-A377 PolarHBondContact OG1-N 2.96Å; T375-E378 WeakPolarHBondContact CB-OE1 2.98Å; T375-E378 PolarHBondContact N-OE1 2.69Å; T375-E378 PolarHBondContact N-OE2 2.9Å; T375-E378 PolarHBondContact OG1-OE1 3.38Å; T375-E378 PolarHBondContact OG1-OE2 2.56Å | ||
| 376 | G | 91.5 | Very high | 94.1 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 94 | -1.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C374 E378 | C374-G376 VanDerWaalsContact C-N 3.29Å; G376-E378 WeakPolarHBondContact CA-OE2 3.37Å; G376-E378 PolarHBondContact N-OE2 3.27Å |
| 377 | A | 90.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 47 Ų | 47 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | trans | -98.8 | -12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R347 T375 | R347-A377 PolarHBondContact NH2-O 2.98Å; T375-A377 PolarHBondContact OG1-N 2.96Å | ||
| 378 | E | 94.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | trans | -64.7 | 136.4 | -177 | -60.5 | 80.4 | -175.8 | 0 | 0 | 112.4 | V344 R347 T375 G376 D383 | V344-E378 HydrophobicContact CG1-CB 4.27Å; V344-E378 WeakPolarHBondContact CG1-O 3.25Å; V344-E378 HydrophobicContact CG2-CB 3.98Å; R347-E378 PolarHBondContact NH2-O 3.06Å; T375-E378 WeakPolarHBondContact CB-OE1 2.98Å; T375-E378 PolarHBondContact N-OE1 2.69Å; T375-E378 PolarHBondContact N-OE2 2.9Å; T375-E378 PolarHBondContact OG1-OE1 3.38Å; T375-E378 PolarHBondContact OG1-OE2 2.56Å; G376-E378 WeakPolarHBondContact CA-OE2 3.37Å; G376-E378 PolarHBondContact N-OE2 3.27Å; E378-D383 HydrophobicContact CB-CB 4.22Å; E378-D383 HydrophobicContact CG-CB 4.29Å | ||
| 379 | L | 87.9 | Confident | 93.2 | Very high | 141 Ų | 141 | 49.4 Ų | 49.4 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -82.3 | -24.9 | -178.2 | -63.9 | 179.2 | 0 | 0 | 0 | 112.8 | M348 | M348-L379 WeakPolarHBondContact CG-O 3.18Š|
| 380 | D | 89.9 | Confident | 92.8 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -128.1 | 145.1 | 175.5 | -162.4 | -61.2 | 0 | 0 | 0 | 109.7 | M348 M382 D383 | M348-D380 HydrophobicContact CE-CB 4.27Å; D380-M382 PolarHBondContact O-N 2.92Å; D380-M382 WeakPolarHBondContact OD1-CB 3.32Å; D380-M382 PolarHBondContact OD1-N 3.42Å; D380-D383 WeakPolarHBondContact O-CB 3.33Å; D380-D383 PolarHBondContact O-N 2.87Å; D380-D383 VanDerWaalsContact O-N 3.11Å |
| 381 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.4 | -26.9 | 177.8 | -167.6 | 65 | 0 | 0 | 0 | 112.2 | V310 V323 V344 I345 M348 L369 L372 D383 C384 | V310-I381 HydrophobicContact CG2-CG2 3.97Å; V323-I381 HydrophobicContact CG1-CG2 4.09Å; V323-I381 HydrophobicContact CG2-CG2 4.29Å; V344-I381 HydrophobicContact CB-CD1 4.48Å; V344-I381 HydrophobicContact CG1-CB 4.44Å; V344-I381 HydrophobicContact CG1-CD1 4.28Å; I345-I381 HydrophobicContact CD1-CB 3.86Å; I345-I381 HydrophobicContact CD1-CD1 3.71Å; I345-I381 HydrophobicContact CD1-CG1 3.67Å; I345-I381 HydrophobicContact CD1-CG2 4.35Å; I345-I381 HydrophobicContact CG1-CD1 3.92Å; I345-I381 HydrophobicContact CG1-CG1 4.43Å; M348-I381 HydrophobicContact CE-CG2 4.32Å; M348-I381 HydrophobicContact SD-CB 3.92Å; M348-I381 HydrophobicContact SD-CG2 4.19Å; M348-I381 PolarHBondContact SD-N 2.89Å; L369-I381 HydrophobicContact CD1-CG1 3.9Å; L369-I381 HydrophobicContact CD1-CG2 4.19Å; L372-I381 HydrophobicContact CD1-CD1 3.92Å; L372-I381 HydrophobicContact CD1-CG1 4.14Å; L372-I381 HydrophobicContact CD2-CD1 4.22Å; L372-I381 HydrophobicContact CD2-CG1 4.32Å; I381-D383 PolarHBondContact O-N 3.45Å; I381-C384 WeakPolarHBondContact O-CB 3.47Å; I381-C384 PolarHBondContact O-N 2.9Å |
| 382 | M | 91.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -72 | -15.3 | 176.5 | -65 | -61.6 | -175.8 | 0 | 0 | 113.6 | V323 V325 L369 D380 C384 V389 | V323-M382 HydrophobicContact CG1-CE 3.59Å; V325-M382 HydrophobicContact CG2-CE 3.37Å; L369-M382 HydrophobicContact CD1-CE 4.44Å; L369-M382 HydrophobicContact CD1-SD 4.2Å; L369-M382 HydrophobicContact CD2-SD 3.95Å; D380-M382 PolarHBondContact O-N 2.92Å; D380-M382 WeakPolarHBondContact OD1-CB 3.32Å; D380-M382 PolarHBondContact OD1-N 3.42Å; M382-C384 VanDerWaalsContact C-N 3.31Å; M382-V389 HydrophobicContact SD-CG2 4.21Å |
| 383 | D | 90.5 | Very high | 92.5 | Very high | 110 Ų | 110 | 60.8 Ų | 60.8 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -83.5 | -12.4 | 175.6 | -64.3 | -35 | 0 | 0 | 0 | 112 | E378 D380 I381 | E378-D383 HydrophobicContact CB-CB 4.22Å; E378-D383 HydrophobicContact CG-CB 4.29Å; D380-D383 WeakPolarHBondContact O-CB 3.33Å; D380-D383 PolarHBondContact O-N 2.87Å; D380-D383 VanDerWaalsContact O-N 3.11Å; I381-D383 PolarHBondContact O-N 3.45Å |
| 384 | C | 92.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -70.8 | 138.9 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | L372 C374 I381 M382 H386 | L372-C384 HydrophobicContact CD2-CB 3.85Å; C374-C384 HydrophobicContact CB-CB 3.96Å; C374-C384 WeakPolarHBondContact CB-SG 3.15Å; C374-C384 WeakPolarHBondContact SG-CB 3.22Å; C374-C384 CovalentContact SG-SG 2.02Å; C374-C384 PolarHBondContact SG-SG 3.3Å; I381-C384 WeakPolarHBondContact O-CB 3.47Å; I381-C384 PolarHBondContact O-N 2.9Å; M382-C384 VanDerWaalsContact C-N 3.31Å; C384-H386 PolarHBondContact O-CD2 3.06Å; C384-H386 PolarHBondContact O-N 3.32Å |
| 385 | P | 94.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | trans | -56.4 | 126.6 | 172.3 | -23.1 | 32.1 | 0 | 0 | 0 | 111.3 | K373 | K373-P385 HydrophobicContact CB-CB 4.31Å; K373-P385 PolarHBondContact N-O 3.49Å; K373-P385 WeakPolarHBondContact O-CD 3.44Å | ||
| 386 | H | 94.4 | Very high | 92.9 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | trans | -154.3 | 160.7 | 178.7 | 59.8 | 57.7 | 0 | 0 | 0 | 110.4 | L372 C384 G388 | L372-H386 HydrophobicContact CD2-CB 4.09Å; C384-H386 PolarHBondContact O-CD2 3.06Å; C384-H386 PolarHBondContact O-N 3.32Å; H386-G388 WeakPolarHBondContact ND1-CA 3.28Å; H386-G388 PolarHBondContact ND1-N 3.44Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.22Å | ||
| 387 | P | 88.9 | Confident | 93.2 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -63.6 | -23 | -177.9 | -23.1 | 35.3 | 0 | 0 | 0 | 114.8 | D370 D371 V391 | D370-P387 WeakPolarHBondContact O-CD 3.46Å; D371-P387 HydrophobicContact CB-CG 3.7Å; P387-V391 HydrophobicContact CB-CB 4.47Å; P387-V391 HydrophobicContact CB-CG1 4.13Å |
| 388 | G | 89.5 | Confident | 93.6 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | trans | 139.9 | 158 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | H386 G390 V391 | H386-G388 WeakPolarHBondContact ND1-CA 3.28Å; H386-G388 PolarHBondContact ND1-N 3.44Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.22Å; G388-G390 PolarHBondContact O-N 3.4Å; G388-V391 PolarHBondContact O-N 2.97Å; G388-V391 VanDerWaalsContact O-N 3.14Å | ||
| 389 | V | 92.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 121.3 | -177.5 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | V325 W368 L369 M382 V391 | V325-V389 HydrophobicContact CG1-CG1 3.73Å; V325-V389 HydrophobicContact CG2-CG1 4.26Å; W368-V389 HydrophobicContact CE3-CG1 3.82Å; W368-V389 HydrophobicContact CZ3-CG1 4.35Å; W368-V389 CarbonylContact O-C 3.51Å; W368-V389 WeakPolarHBondContact O-CA 3.33Å; L369-V389 HydrophobicContact CD2-CG2 4.41Å; M382-V389 HydrophobicContact SD-CG2 4.21Å; V389-V391 PolarHBondContact O-N 3.16Å |
| 390 | G | 91.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 13.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W368 G388 | W368-G390 PolarHBondContact O-N 3.2Å; G388-G390 PolarHBondContact O-N 3.4Å |
| 391 | V | 93.2 | Very high | 94.7 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -96.1 | 108.9 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | P387 G388 V389 | P387-V391 HydrophobicContact CB-CB 4.47Å; P387-V391 HydrophobicContact CB-CG1 4.13Å; G388-V391 PolarHBondContact O-N 2.97Å; G388-V391 VanDerWaalsContact O-N 3.14Å; V389-V391 PolarHBondContact O-N 3.16Å | ||
| 392 | N | 95.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | trans | -158.7 | 162.5 | 178.7 | 60.1 | 86.2 | 0 | 0 | 0 | 110.4 | I367 D370 | I367-N392 HydrophobicContact CG2-CB 4.34Å; I367-N392 PolarHBondContact O-ND2 3.36Å; D370-N392 HydrophobicContact CB-CB 3.55Å; D370-N392 WeakPolarHBondContact OD2-CA 3.42Å; D370-N392 VanDerWaalsContact OD2-CB 3.27Å; D370-N392 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 393 | N | 95.3 | Very high | 95.3 | Very high | 128 Ų | 128 | 50.1 Ų | 50.1 | 68% | 0.684 | 29% | 0.286 | S | S | * | . | trans | -115.9 | 7.4 | 171.3 | 61.5 | -32.5 | 0 | 0 | 0 | 112.8 | D370 | D370-N393 PolarHBondContact OD2-OD1 2.87Š| ||
| 394 | C | 97.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.095 | 26% | 0.259 | C | S | . | . | trans | -83.3 | 163.4 | -173.7 | -53 | 0 | 0 | 0 | 0 | 114.4 | C333 I367 E398 | C333-C394 HydrophobicContact CB-CB 3.7Å; C333-C394 WeakPolarHBondContact CB-SG 3.36Å; C333-C394 WeakPolarHBondContact SG-CB 3.3Å; C333-C394 CovalentContact SG-SG 2.02Å; C333-C394 PolarHBondContact SG-SG 2.91Å; I367-C394 HydrophobicContact CD1-CB 3.98Å; I367-C394 WeakPolarHBondContact CD1-O 3.39Å; C394-E398 WeakPolarHBondContact CA-OE2 3.22Å; C394-E398 HydrophobicContact CB-CB 4.18Å | ||
| 395 | Q | 97.8 | Very high | 95.8 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | trans | -110.3 | 167.2 | 166.7 | -58.2 | -176.4 | 16.9 | 0 | 0 | 110.5 | S397 E398 | Q395-S397 PolarHBondContact O-N 2.74Å; Q395-E398 PolarHBondContact N-OE2 3.49Å; Q395-E398 WeakPolarHBondContact O-CB 3.22Å; Q395-E398 PolarHBondContact O-N 3.2Å | ||
| 396 | H | 98.3 | Very high | 95.8 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.6 | -11.6 | 177.9 | -74.5 | -56.4 | 0 | 0 | 0 | 114.2 | T331 P362 T364 G365 E398 D399 | T331-H396 PolarHBondContact OG1-CE1 3.27Å; T331-H396 PolarHBondContact OG1-ND1 3.42Å; P362-H396 WeakPolarHBondContact CA-O 3.33Å; P362-H396 HydrophobicContact CB-CB 3.89Å; P362-H396 WeakPolarHBondContact CB-O 3.4Å; T364-H396 VanDerWaalsContact C-NE2 3.32Å; T364-H396 WeakPolarHBondContact CA-NE2 3.32Å; G365-H396 PolarHBondContact N-NE2 2.83Å; G365-H396 PolarHBondContact O-NE2 3.35Å; H396-E398 PolarHBondContact O-N 2.86Å; H396-D399 IonicContact CG-OD2 3.13Å; H396-D399 IonicContact ND1-OD1 2.66Å; H396-D399 PolarHBondContact ND1-OD1 3.02Å; H396-D399 VanDerWaalsContact ND1-OD1 3.13Å; H396-D399 IonicContact ND1-OD2 3.6Å; H396-D399 PolarHBondContact ND1-OD2 2.93Å; H396-D399 PolarHBondContact O-N 3.5Å |
| 397 | S | 98 | Very high | 95.9 | Very high | 66 Ų | 66 | 47 Ų | 47 | 46% | 0.462 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -65.4 | -13.3 | 167.5 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | T359 Q395 | T359-S397 WeakPolarHBondContact CG2-O 3.43Å; Q395-S397 PolarHBondContact O-N 2.74Å |
| 398 | E | 98.5 | Very high | 96.3 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -113.7 | 22.3 | -176.3 | -63 | 164.1 | 126.1 | 0 | 0 | 110.1 | C333 D334 C394 Q395 H396 A400 | C333-E398 CarbonylContact C-O 3.5Å; C333-E398 WeakPolarHBondContact CA-O 3.17Å; D334-E398 WeakPolarHBondContact CB-O 3.37Å; D334-E398 PolarHBondContact N-O 2.92Å; D334-E398 WeakPolarHBondContact OD1-CB 3.37Å; C394-E398 WeakPolarHBondContact CA-OE2 3.22Å; C394-E398 HydrophobicContact CB-CB 4.18Å; Q395-E398 PolarHBondContact N-OE2 3.49Å; Q395-E398 WeakPolarHBondContact O-CB 3.22Å; Q395-E398 PolarHBondContact O-N 3.2Å; H396-E398 PolarHBondContact O-N 2.86Å; E398-A400 PolarHBondContact O-N 3Å |
| 399 | D | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 131.6 | 177.8 | -73.5 | -28.9 | 0 | 0 | 0 | 110.8 | R320 T331 V332 A360 G363 H396 | R320-D399 HydrophobicContact CG-CB 4.19Å; T331-D399 VanDerWaalsContact CB-CG 3.5Å; T331-D399 WeakPolarHBondContact CB-OD1 3.21Å; T331-D399 WeakPolarHBondContact CG2-OD2 3.47Å; T331-D399 PolarHBondContact OG1-OD1 3.37Å; V332-D399 CarbonylContact O-C 3.6Å; V332-D399 WeakPolarHBondContact O-CA 3.43Å; A360-D399 WeakPolarHBondContact CB-O 3.25Å; A360-D399 PolarHBondContact N-O 3.17Å; G363-D399 WeakPolarHBondContact CA-OD2 3.45Å; G363-D399 PolarHBondContact N-OD2 2.94Å; H396-D399 IonicContact CG-OD2 3.13Å; H396-D399 IonicContact ND1-OD1 2.66Å; H396-D399 PolarHBondContact ND1-OD1 3.02Å; H396-D399 VanDerWaalsContact ND1-OD1 3.13Å; H396-D399 IonicContact ND1-OD2 3.6Å; H396-D399 PolarHBondContact ND1-OD2 2.93Å; H396-D399 PolarHBondContact O-N 3.5Å |
| 400 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 145.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R320 V321 V332 D334 F337 E398 | R320-A400 WeakPolarHBondContact CA-O 3.49Å; V321-A400 PolarHBondContact N-O 3.45Å; V332-A400 HydrophobicContact CB-CB 4.32Å; V332-A400 HydrophobicContact CG1-CB 4.27Å; V332-A400 WeakPolarHBondContact O-CB 3.37Å; V332-A400 PolarHBondContact O-N 3.45Å; D334-A400 HydrophobicContact CB-CB 4.03Å; F337-A400 HydrophobicContact CB-CB 4.22Å; F337-A400 HydrophobicContact CD1-CB 3.72Å; F337-A400 HydrophobicContact CD2-CB 3.81Å; F337-A400 HydrophobicContact CE1-CB 3.96Å; F337-A400 HydrophobicContact CE2-CB 4.07Å; F337-A400 HydrophobicContact CG-CB 3.64Å; F337-A400 HydrophobicContact CZ-CB 4.14Å; E398-A400 PolarHBondContact O-N 3Å |
| 401 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | G319 T357 F358 | G319-G401 WeakPolarHBondContact O-CA 3.3Å; T357-G401 WeakPolarHBondContact CA-O 3.39Å; F358-G401 PolarHBondContact N-O 2.86Å; F358-G401 WeakPolarHBondContact O-CA 3.27Å; F358-G401 PolarHBondContact O-N 3.4Å |
| 402 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.4 | -178.9 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | L312 R318 G319 V321 I345 C346 A354 D356 T357 | L312-V402 HydrophobicContact CD1-CG1 4.19Å; L312-V402 HydrophobicContact CD2-CG1 3.68Å; R318-V402 VanDerWaalsContact CA-O 3.31Å; R318-V402 WeakPolarHBondContact CA-O 3.49Å; G319-V402 PolarHBondContact N-O 2.88Å; G319-V402 VanDerWaalsContact N-O 3.16Å; G319-V402 PolarHBondContact O-N 3.22Å; V321-V402 HydrophobicContact CG2-CB 4.28Å; V321-V402 HydrophobicContact CG2-CG1 3.94Å; I345-V402 HydrophobicContact CG2-CG1 3.94Å; C346-V402 VanDerWaalsContact SG-CG2 3.52Å; A354-V402 HydrophobicContact CB-CG2 3.58Å; D356-V402 WeakPolarHBondContact O-CG2 3.43Å; T357-V402 HydrophobicContact CG2-CG2 4.24Å |
| 403 | Q | 98.4 | Very high | 97.8 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.5 | 162.8 | 177.2 | 68.4 | 63.9 | 0 | 0 | 109.4 | S317 R318 A354 T355 D356 | S317-Q403 CarbonylContact O-C 3.54Å; S317-Q403 WeakPolarHBondContact O-CA 3.44Å; S317-Q403 PolarHBondContact O-NE2 2.66Å; S317-Q403 VanDerWaalsContact O-NE2 3.07Å; S317-Q403 PolarHBondContact OG-NE2 3.35Å; R318-Q403 VanDerWaalsContact CD-OE1 3.22Å; R318-Q403 HydrophobicContact CG-CB 4.34Å; R318-Q403 VanDerWaalsContact CG-OE1 3.28Å; A354-Q403 CarbonylContact C-O 3.48Å; A354-Q403 VanDerWaalsContact CA-O 3.29Å; A354-Q403 WeakPolarHBondContact CA-O 3.31Å; T355-Q403 PolarHBondContact N-O 3.46Å; T355-Q403 WeakPolarHBondContact OG1-CG 3.49Å; T355-Q403 PolarHBondContact OG1-O 2.76Å; D356-Q403 HydrophobicContact CB-CB 3.95Å; D356-Q403 PolarHBondContact O-N 2.98Å |
| 404 | C | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 157.8 | 176 | -52.7 | 0 | 0 | 0 | 0 | 112 | S317 C346 F351 T353 | S317-C404 PolarHBondContact O-N 3.49Å; C346-C404 WeakPolarHBondContact CA-SG 3.36Å; C346-C404 HydrophobicContact CB-CB 3.72Å; C346-C404 WeakPolarHBondContact CB-SG 3.38Å; C346-C404 WeakPolarHBondContact SG-CA 3.47Å; C346-C404 WeakPolarHBondContact SG-CB 3.1Å; C346-C404 CovalentContact SG-SG 2.04Å; C346-C404 PolarHBondContact SG-SG 3.03Å; F351-C404 HydrophobicContact CB-CB 3.67Å; F351-C404 HydrophobicContact CD1-CB 3.77Å; F351-C404 HydrophobicContact CD2-CB 3.52Å; F351-C404 HydrophobicContact CE1-CB 4.28Å; F351-C404 HydrophobicContact CE2-CB 4.07Å; F351-C404 HydrophobicContact CG-CB 3.36Å; F351-C404 HydrophobicContact CZ-CB 4.42Å; T353-C404 WeakPolarHBondContact O-CA 3.47Å |
| 405 | A | 94.8 | Very high | 98 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 65% | 0.645 | 22% | 0.223 | S | C | * | . | trans | -139.2 | 0 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q352 T353 T355 | Q352-A405 PolarHBondContact N-O 3.18Å; T353-A405 PolarHBondContact N-O 3.24Å; T353-A405 PolarHBondContact O-N 3.45Å; T355-A405 HydrophobicContact CG2-CB 3.5Å |
Retrieved 405 of 405 residues in 254.5 ms
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