| 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 | 29.3 | Very low | 29.5 | Very low | 221 Ų | 221 | 158.4 Ų | 158.4 | 100% | 1.089 | 74% | 0.742 | S | S | * | * | 0 | 101.6 | 0 | 180 | -179.1 | -179.4 | 0 | 0 | 107.1 | |||||
| 2 | Y | 29.4 | Very low | 29.5 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | cis | -128.8 | 136.3 | -10.5 | -86.1 | -103.1 | 0 | 0 | 0 | 106.7 | ||||
| 3 | L | 26.1 | Very low | 29.5 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 67% | 0.665 | 72% | 0.724 | S | S | * | * | 72.9 | 133.1 | 57.8 | -91.8 | 162.4 | 0 | 0 | 0 | 115.1 | |||||
| 4 | Y | 27.3 | Very low | 29.9 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | trans | 79.1 | 130.9 | 172.6 | -59.2 | -80.1 | 0 | 0 | 0 | 117.3 | ||||
| 5 | H | 29.9 | Very low | 30.3 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 65% | 0.648 | 73% | 0.726 | S | S | * | * | cis | -166.1 | 144.2 | -6.4 | -145.7 | -136.5 | 0 | 0 | 0 | 113.9 | ||||
| 6 | W | 28.1 | Very low | 30.6 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 48.8 | 130.6 | 141.9 | -88.1 | 50.3 | 0 | 0 | 0 | 122.3 | ||||
| 7 | T | 30.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 60% | 0.595 | 71% | 0.706 | S | S | * | * | 60.7 | 134.8 | 51.1 | 72.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 8 | M | 29.6 | Very low | 31.2 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | cis | -139.3 | -177.8 | 7.2 | -66.2 | -164 | -163.6 | 0 | 0 | 109 | ||||
| 9 | N | 32.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | cis | -179.4 | 136.5 | 44.4 | -169.1 | 12.8 | 0 | 0 | 0 | 112.8 | ||||
| 10 | N | 31.6 | Very low | 31.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | 176.7 | 110.7 | 133.9 | -106.8 | -15.8 | 0 | 0 | 0 | 115.9 | F12 | N10-F12 VanDerWaalsContact C-N 3.28Å; N10-F12 PolarHBondContact O-N 3.28Å | ||
| 11 | Q | 29.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | S | Bend | 37.8 | 0.2 | 117.9 | -82.3 | -100 | -52.7 | 0 | 0 | 124.8 | |||
| 12 | F | 29.9 | Very low | 32.5 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 88% | 0.877 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -131.5 | 30.4 | -178 | -116.7 | -92.2 | 0 | 0 | 0 | 115.1 | N10 | N10-F12 VanDerWaalsContact C-N 3.28Å; N10-F12 PolarHBondContact O-N 3.28Å |
| 13 | Q | 29.1 | Very low | 32.9 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 37% | 0.374 | 66% | 0.659 | S | S | . | * | trans | -142.5 | 36.3 | -177.3 | -108.8 | -76.2 | -36.9 | 0 | 0 | 113.4 | L555 | Q13-L555 HydrophobicContact CG-CD2 3.37Š| ||
| 14 | V | 36.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -107.1 | -13 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 15 | Y | 35.3 | Very low | 33.7 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -99.3 | -7.8 | -175.9 | -82.4 | -77.8 | 0 | 0 | 0 | 116 | ||
| 16 | L | 35.2 | Very low | 33.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 63% | 0.634 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -102.1 | -26.1 | 177.7 | -109.3 | 76 | 0 | 0 | 0 | 114.1 | ||
| 17 | T | 34.1 | Very low | 33.9 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 48% | 0.479 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -80.4 | -24.7 | -177.3 | 44 | 0 | 0 | 0 | 0 | 113.2 | F19 | T17-F19 VanDerWaalsContact C-N 3.32Å; T17-F19 PolarHBondContact O-N 3.28Å |
| 18 | S | 37.9 | Very low | 34.1 | Very low | 77 Ų | 77 | 130 Ų | 130 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.2 | -16.4 | 173.1 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | I22 | S18-I22 WeakPolarHBondContact O-CD1 3.26Å |
| 19 | F | 37.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.3 | -27.1 | 178.8 | -117.2 | -91.7 | 0 | 0 | 0 | 113.3 | T17 | T17-F19 VanDerWaalsContact C-N 3.32Å; T17-F19 PolarHBondContact O-N 3.28Å |
| 20 | V | 36.3 | Very low | 34.2 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -82.2 | -26.6 | -176 | -178 | 0 | 0 | 0 | 0 | 112.3 | ||
| 21 | W | 34.7 | Very low | 34.2 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 72% | 0.716 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -22.5 | 175.7 | -95.5 | 68.4 | 0 | 0 | 0 | 114.3 | I23 L25 | W21-I23 VanDerWaalsContact C-N 3.3Å; W21-L25 HydrophobicContact CE3-CD1 3.74Å; W21-L25 HydrophobicContact CZ3-CD1 3.67Å |
| 22 | I | 40.9 | Very low | 34.1 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -29.2 | 175.4 | -66.9 | 173.2 | 0 | 0 | 0 | 111.1 | S18 S26 | S18-I22 WeakPolarHBondContact O-CD1 3.26Å; I22-S26 PolarHBondContact O-OG 3.1Å |
| 23 | I | 38.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -18.2 | -177.1 | -63.3 | 174.5 | 0 | 0 | 0 | 112.6 | W21 | W21-I23 VanDerWaalsContact C-N 3.3Š|
| 24 | L | 35.6 | Very low | 34.3 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -2.1 | -171.9 | -75 | 168.1 | 0 | 0 | 0 | 115.6 | ||
| 25 | L | 34 | Very low | 33.9 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -122.5 | 1.8 | 176.2 | -75.6 | 174.1 | 0 | 0 | 0 | 114.9 | W21 N27 | W21-L25 HydrophobicContact CE3-CD1 3.74Å; W21-L25 HydrophobicContact CZ3-CD1 3.67Å; L25-N27 PolarHBondContact O-N 3.19Å |
| 26 | S | 33.5 | Very low | 33.7 | Very low | 59 Ų | 59 | 125.8 Ų | 125.8 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | trans | -91.6 | 92.9 | 166.7 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | I22 T28 | I22-S26 PolarHBondContact O-OG 3.1Å; S26-T28 PolarHBondContact O-N 3.46Å | ||
| 27 | N | 29.5 | Very low | 33.6 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | trans | -72.1 | 71.7 | 163.1 | -105 | -26.5 | 0 | 0 | 0 | 109.9 | L25 | L25-N27 PolarHBondContact O-N 3.19Š| ||
| 28 | T | 35.1 | Very low | 33.3 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 56% | 0.564 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -122.9 | 136.7 | 164.8 | 47.2 | 0 | 0 | 0 | 0 | 106.8 | S26 V30 | S26-T28 PolarHBondContact O-N 3.46Å; T28-V30 PolarHBondContact O-N 3.13Å |
| 29 | P | 31.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -66 | 107.4 | -172.1 | 26.6 | -33.9 | 0 | 0 | 0 | 110.7 | N31 | P29-N31 PolarHBondContact O-N 3.46Š| ||
| 30 | V | 32.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -79.1 | 45.3 | 172 | -164.6 | 0 | 0 | 0 | 0 | 110.3 | T28 | T28-V30 PolarHBondContact O-N 3.13Š| ||
| 31 | N | 30.7 | Very low | 33.9 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | trans | -113 | 90.5 | 164 | -76.5 | -0.9 | 0 | 0 | 0 | 106 | P29 | P29-N31 PolarHBondContact O-N 3.46Š| ||
| 32 | G | 27.9 | Very low | 34.6 | Very low | 42 Ų | 42 | 126.8 Ų | 126.8 | 43% | 0.433 | 67% | 0.674 | S | S | . | * | S | Bend | trans | 166 | -15.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 33 | F | 29.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 124 Ų | 124 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -109.2 | 4.1 | -177.5 | -140.6 | -97 | 0 | 0 | 0 | 114.9 | R52 | F33-R52 VanDerWaalsContact CZ-NH2 3.27Š|
| 34 | L | 32.6 | Very low | 36.8 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -131.1 | 0.3 | 175.6 | -104.5 | 157.7 | 0 | 0 | 0 | 114.2 | ||
| 35 | E | 28.9 | Very low | 38.8 | Very low | 147 Ų | 147 | 113.9 Ų | 113.9 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -109.2 | -1.1 | 178.6 | -85.2 | -176.7 | 140.5 | 0 | 0 | 114.6 | ||
| 36 | R | 30.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 109.5 Ų | 109.5 | 73% | 0.732 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 15.4 | 178.9 | -82.6 | -169.1 | 174.6 | -156.3 | -3.7 | 115.6 | ||
| 37 | L | 33.6 | Very low | 43.6 | Very low | 151 Ų | 151 | 106.7 Ų | 106.7 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 14.3 | 177.4 | -85.4 | 167.2 | 0 | 0 | 0 | 114 | ||
| 38 | Q | 27.3 | Very low | 46.2 | Very low | 166 Ų | 166 | 98.5 Ų | 98.5 | 78% | 0.776 | 54% | 0.537 | S | S | * | . | trans | -116.7 | 59.5 | -173.9 | -73.1 | -167.6 | -29.7 | 0 | 0 | 115 | ||||
| 39 | T | 36 | Very low | 48.5 | Very low | 101 Ų | 101 | 97.5 Ų | 97.5 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -138.8 | 17.4 | 160.1 | 51.3 | 0 | 0 | 0 | 0 | 114 | ||
| 40 | A | 43.3 | Very low | 50.8 | Low | 34 Ų | 34 | 93.7 Ų | 93.7 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -119.5 | 143.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T44 | A40-T44 HydrophobicContact CB-CG2 4.26Š|
| 41 | P | 45.6 | Very low | 53.1 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | trans | -58.8 | 143.1 | 175.9 | -23.8 | 35.2 | 0 | 0 | 0 | 111.5 | G43 T44 V258 Y259 | P41-G43 PolarHBondContact O-N 2.8Å; P41-T44 VanDerWaalsContact O-CB 3.23Å; P41-T44 WeakPolarHBondContact O-CB 3.22Å; P41-T44 PolarHBondContact O-N 2.86Å; P41-T44 PolarHBondContact O-OG1 3.24Å; P41-T44 VanDerWaalsContact O-OG1 3.12Å; P41-V258 HydrophobicContact CG-CG1 4.44Å; P41-Y259 WeakPolarHBondContact CD-OH 3.16Å; P41-Y259 HydrophobicContact CG-CE1 4.49Å; P41-Y259 WeakPolarHBondContact CG-OH 3.33Å | ||
| 42 | Q | 48.4 | Very low | 55.6 | Low | 206 Ų | 206 | 86.9 Ų | 86.9 | 96% | 0.963 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45 | 123.3 | -174.5 | -71.8 | -176.8 | -17.4 | 0 | 0 | 112.6 | ||
| 43 | G | 59.6 | Low | 58.1 | Low | 60 Ų | 60 | 85 Ų | 85 | 62% | 0.619 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -5.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P41 P247 | P41-G43 PolarHBondContact O-N 2.8Å; G43-P247 WeakPolarHBondContact O-CD 2.76Å |
| 44 | T | 67.9 | Low | 60.4 | Low | 24 Ų | 24 | 80.6 Ų | 80.6 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | trans | -90.7 | 133.9 | 175 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | A40 P41 Y244 L246 Y259 | A40-T44 HydrophobicContact CB-CG2 4.26Å; P41-T44 VanDerWaalsContact O-CB 3.23Å; P41-T44 WeakPolarHBondContact O-CB 3.22Å; P41-T44 PolarHBondContact O-N 2.86Å; P41-T44 PolarHBondContact O-OG1 3.24Å; P41-T44 VanDerWaalsContact O-OG1 3.12Å; T44-Y244 HydrophobicContact CG2-CD1 4.37Å; T44-L246 HydrophobicContact CG2-CD1 3.64Å; T44-L246 HydrophobicContact CG2-CD2 4.37Å; T44-L246 HydrophobicContact CG2-CG 3.71Å; T44-Y259 HydrophobicContact CG2-CE1 3.8Å; T44-Y259 PolarHBondContact OG1-OH 3.16Å; T44-Y259 VanDerWaalsContact OG1-OH 3.1Å | ||
| 45 | L | 76.3 | Confident | 62.6 | Low | 26 Ų | 26 | 78.3 Ų | 78.3 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.1 | 177.4 | 173.7 | 77.4 | 0 | 0 | 0 | 110.9 | V47 A50 L101 Y244 L245 | L45-V47 HydrophobicContact CD2-CG2 4.18Å; L45-A50 HydrophobicContact CD1-CB 4.08Å; L45-L101 HydrophobicContact CD1-CD2 3.65Å; L45-L101 HydrophobicContact CD2-CB 3.85Å; L45-L101 HydrophobicContact CD2-CD1 3.83Å; L45-L101 HydrophobicContact CD2-CD2 3.36Å; L45-L101 HydrophobicContact CD2-CG 3.84Å; L45-L101 HydrophobicContact CG-CD2 4.1Å; L45-Y244 CarbonylContact O-C 3.52Å; L45-Y244 WeakPolarHBondContact O-CA 3.23Å; L45-L245 HydrophobicContact CB-CB 4.43Å; L45-L245 HydrophobicContact CD2-CB 4.29Å; L45-L245 HydrophobicContact CD2-CD1 4.03Å; L45-L245 HydrophobicContact CD2-CG 4.5Å; L45-L245 PolarHBondContact N-O 3.39Å; L45-L245 PolarHBondContact O-N 2.79Å |
| 46 | D | 85 | Confident | 64.7 | Low | 41 Ų | 41 | 74.7 Ų | 74.7 | 22% | 0.219 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 113.8 | 160.3 | -177.4 | -20.1 | 0 | 0 | 0 | 110.2 | L48 T49 A50 Y244 | D46-L48 PolarHBondContact OD1-N 3.33Å; D46-T49 VanDerWaalsContact CG-CB 3.44Å; D46-T49 PolarHBondContact OD1-N 3.22Å; D46-T49 WeakPolarHBondContact OD2-CB 3.44Å; D46-T49 PolarHBondContact OD2-OG1 3.27Å; D46-A50 WeakPolarHBondContact O-CB 3.31Å; D46-A50 PolarHBondContact O-N 3.1Å; D46-Y244 HydrophobicContact CB-CD1 3.95Å; D46-Y244 HydrophobicContact CB-CE1 3.75Å |
| 47 | V | 83.5 | Confident | 66.1 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.6 | -35.6 | -177.5 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | L45 A50 V51 I96 V231 F243 L245 | L45-V47 HydrophobicContact CD2-CG2 4.18Å; V47-A50 PolarHBondContact O-N 3.5Å; V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 2.85Å; V47-I96 HydrophobicContact CG1-CD1 3.82Å; V47-V231 HydrophobicContact CG1-CB 4.48Å; V47-V231 HydrophobicContact CG1-CG1 3.94Å; V47-V231 HydrophobicContact CG1-CG2 3.81Å; V47-F243 HydrophobicContact CB-CB 4.14Å; V47-F243 HydrophobicContact CB-CD1 3.8Å; V47-F243 HydrophobicContact CB-CD2 4.33Å; V47-F243 HydrophobicContact CB-CE1 4.26Å; V47-F243 HydrophobicContact CB-CG 3.84Å; V47-F243 WeakPolarHBondContact CB-O 3.41Å; V47-F243 HydrophobicContact CG1-CD1 3.8Å; V47-F243 HydrophobicContact CG1-CE1 3.91Å; V47-F243 HydrophobicContact CG1-CG 4.35Å; V47-F243 HydrophobicContact CG2-CD1 4.21Å; V47-F243 HydrophobicContact CG2-CD2 3.97Å; V47-F243 HydrophobicContact CG2-CE1 4.38Å; V47-F243 HydrophobicContact CG2-CE2 4.11Å; V47-F243 HydrophobicContact CG2-CG 4.01Å; V47-F243 HydrophobicContact CG2-CZ 4.33Å; V47-F243 PolarHBondContact N-O 2.76Å; V47-L245 HydrophobicContact CG2-CB 4.43Å; V47-L245 HydrophobicContact CG2-CD1 3.87Å; V47-L245 HydrophobicContact CG2-CG 3.6Å |
| 48 | L | 85.3 | Confident | 67.9 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | -179.7 | -61.9 | -166 | 0 | 0 | 0 | 110.6 | D46 V51 R52 I53 Y86 I240 E241 F243 | D46-L48 PolarHBondContact OD1-N 3.33Å; L48-V51 WeakPolarHBondContact O-CG2 3.36Å; L48-R52 PolarHBondContact O-N 3.12Å; L48-I53 HydrophobicContact CB-CB 4.48Å; L48-I53 HydrophobicContact CB-CG2 3.8Å; L48-I53 HydrophobicContact CD2-CD1 3.91Å; L48-I53 PolarHBondContact O-N 3.04Å; L48-Y86 HydrophobicContact CD1-CD2 4.12Å; L48-Y86 HydrophobicContact CD1-CE2 4.43Å; L48-I240 HydrophobicContact CD1-CG1 4.45Å; L48-I240 HydrophobicContact CD1-CG2 4.43Å; L48-I240 HydrophobicContact CD2-CD1 4.28Å; L48-I240 HydrophobicContact CD2-CG2 4.42Å; L48-E241 VanDerWaalsContact CD1-O 3.25Å; L48-E241 WeakPolarHBondContact CD1-O 3.24Å; L48-F243 HydrophobicContact CD1-CB 4.44Å; L48-F243 HydrophobicContact CD2-CB 3.78Å; L48-F243 HydrophobicContact CD2-CD1 4.42Å; L48-F243 HydrophobicContact CG-CB 3.77Å |
| 49 | T | 83.4 | Confident | 70.3 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | D46 R52 | D46-T49 VanDerWaalsContact CG-CB 3.44Å; D46-T49 PolarHBondContact OD1-N 3.22Å; D46-T49 WeakPolarHBondContact OD2-CB 3.44Å; D46-T49 PolarHBondContact OD2-OG1 3.27Å; T49-R52 WeakPolarHBondContact O-CA 3.42Å; T49-R52 PolarHBondContact O-N 2.93Å |
| 50 | A | 80.2 | Confident | 72.5 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L45 D46 V47 I96 L101 | L45-A50 HydrophobicContact CD1-CB 4.08Å; D46-A50 WeakPolarHBondContact O-CB 3.31Å; D46-A50 PolarHBondContact O-N 3.1Å; V47-A50 PolarHBondContact O-N 3.5Å; A50-I96 HydrophobicContact CB-CD1 4.41Å; A50-L101 HydrophobicContact CB-CD2 4.07Å |
| 51 | V | 80.2 | Confident | 74.4 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.2 | 170.1 | -58.4 | 0 | 0 | 0 | 0 | 113 | V47 L48 I53 Q56 L94 I96 | V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 2.85Å; L48-V51 WeakPolarHBondContact O-CG2 3.36Å; V51-I53 HydrophobicContact CG2-CB 3.89Å; V51-Q56 PolarHBondContact O-NE2 3.45Å; V51-L94 HydrophobicContact CB-CB 4.48Å; V51-L94 HydrophobicContact CB-CD1 4.36Å; V51-L94 HydrophobicContact CG1-CB 4.09Å; V51-L94 HydrophobicContact CG2-CD1 3.97Å; V51-I96 HydrophobicContact CG1-CD1 3.55Å; V51-I96 HydrophobicContact CG1-CG1 3.56Å |
| 52 | R | 83.3 | Confident | 76 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 54.2 | -171.2 | -50.5 | -166.9 | -172.2 | -179.4 | -1.8 | 112.4 | F33 L48 T49 S54 E55 Q56 | F33-R52 VanDerWaalsContact CZ-NH2 3.27Å; L48-R52 PolarHBondContact O-N 3.12Å; T49-R52 WeakPolarHBondContact O-CA 3.42Å; T49-R52 PolarHBondContact O-N 2.93Å; R52-S54 PolarHBondContact O-N 3.14Å; R52-S54 VanDerWaalsContact O-N 3.08Å; R52-E55 HydrophobicContact CB-CB 4.02Å; R52-E55 HydrophobicContact CB-CG 4.19Å; R52-E55 VanDerWaalsContact CD-CD 3.43Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.29Å; R52-E55 IonicContact NE-OE2 3.58Å; R52-E55 IonicContact NH1-OE1 3.2Å; R52-E55 IonicContact NH1-OE2 2.63Å; R52-E55 PolarHBondContact NH1-OE2 2.9Å; R52-E55 WeakPolarHBondContact O-CA 3.22Å; R52-E55 PolarHBondContact O-N 3.06Å; R52-Q56 PolarHBondContact O-N 2.87Å |
| 53 | I | 80.7 | Confident | 77.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30 | -171 | -159.6 | 166.2 | 0 | 0 | 0 | 113.3 | L48 V51 E55 Q56 V59 Y86 V88 L232 | L48-I53 HydrophobicContact CB-CB 4.48Å; L48-I53 HydrophobicContact CB-CG2 3.8Å; L48-I53 HydrophobicContact CD2-CD1 3.91Å; L48-I53 PolarHBondContact O-N 3.04Å; V51-I53 HydrophobicContact CG2-CB 3.89Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-Q56 PolarHBondContact O-N 2.87Å; I53-V59 HydrophobicContact CG1-CG1 4.12Å; I53-V59 HydrophobicContact CG1-CG2 4.07Å; I53-Y86 HydrophobicContact CD1-CG 4.23Å; I53-Y86 HydrophobicContact CG1-CD1 4.44Å; I53-Y86 HydrophobicContact CG1-CG 4.32Å; I53-Y86 HydrophobicContact CG2-CD1 3.9Å; I53-Y86 HydrophobicContact CG2-CD2 3.78Å; I53-Y86 HydrophobicContact CG2-CE1 3.86Å; I53-Y86 HydrophobicContact CG2-CE2 3.76Å; I53-Y86 HydrophobicContact CG2-CG 3.86Å; I53-V88 HydrophobicContact CD1-CG2 3.83Å; I53-L232 HydrophobicContact CD1-CD1 4.32Å |
| 54 | S | 77.6 | Confident | 78.4 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 51% | 0.51 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -21.2 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | R52 | R52-S54 PolarHBondContact O-N 3.14Å; R52-S54 VanDerWaalsContact O-N 3.08Å |
| 55 | E | 77.2 | Confident | 79.3 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -12.2 | 172.9 | -62.2 | -179.9 | -166.2 | 0 | 0 | 112.2 | R52 I53 A57 | R52-E55 HydrophobicContact CB-CB 4.02Å; R52-E55 HydrophobicContact CB-CG 4.19Å; R52-E55 VanDerWaalsContact CD-CD 3.43Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.29Å; R52-E55 IonicContact NE-OE2 3.58Å; R52-E55 IonicContact NH1-OE1 3.2Å; R52-E55 IonicContact NH1-OE2 2.63Å; R52-E55 PolarHBondContact NH1-OE2 2.9Å; R52-E55 WeakPolarHBondContact O-CA 3.22Å; R52-E55 PolarHBondContact O-N 3.06Å; I53-E55 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.41Å |
| 56 | Q | 74.5 | Confident | 79.5 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -72.2 | 119.5 | -179.4 | -65.6 | -64.1 | -26.2 | 0 | 0 | 111 | V51 R52 I53 Y58 V59 L94 | V51-Q56 PolarHBondContact O-NE2 3.45Å; R52-Q56 PolarHBondContact O-N 2.87Å; I53-Q56 PolarHBondContact O-N 2.87Å; Q56-Y58 PolarHBondContact O-N 3.21Å; Q56-V59 HydrophobicContact CB-CG2 3.7Å; Q56-V59 PolarHBondContact O-N 3.22Å; Q56-L94 HydrophobicContact CG-CD2 4.15Å |
| 57 | A | 60.4 | Low | 78.3 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 141.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | E55 V59 | E55-A57 PolarHBondContact O-N 3.41Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.74Å |
| 58 | Y | 70.5 | Confident | 76.9 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -6.4 | 176.3 | -32.7 | -51.6 | 0 | 0 | 0 | 116.5 | Q56 Q60 P89 P324 L325 N326 | Q56-Y58 PolarHBondContact O-N 3.21Å; Y58-Q60 PolarHBondContact O-N 2.98Å; Y58-P89 WeakPolarHBondContact O-CD 3.42Å; Y58-P89 VanDerWaalsContact O-CG 3.3Å; Y58-P89 WeakPolarHBondContact O-CG 3.19Å; Y58-P324 HydrophobicContact CE1-CB 4.22Å; Y58-L325 WeakPolarHBondContact OH-CB 3.27Å; Y58-L325 PolarHBondContact OH-N 3.23Å; Y58-N326 HydrophobicContact CD1-CB 3.56Å; Y58-N326 HydrophobicContact CD2-CB 4.07Å; Y58-N326 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N326 HydrophobicContact CE1-CB 3.48Å; Y58-N326 VanDerWaalsContact CE1-CB 3.48Å; Y58-N326 HydrophobicContact CE2-CB 3.98Å; Y58-N326 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N326 HydrophobicContact CG-CB 3.86Å; Y58-N326 PolarHBondContact OH-N 2.81Å |
| 59 | V | 78.3 | Confident | 74.7 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 129.4 | 163.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | I53 Q56 A57 Y86 S87 V88 L92 | I53-V59 HydrophobicContact CG1-CG1 4.12Å; I53-V59 HydrophobicContact CG1-CG2 4.07Å; Q56-V59 HydrophobicContact CB-CG2 3.7Å; Q56-V59 PolarHBondContact O-N 3.22Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.74Å; V59-Y86 HydrophobicContact CG1-CD1 3.68Å; V59-Y86 HydrophobicContact CG1-CG 4.14Å; V59-S87 WeakPolarHBondContact CA-O 3.3Å; V59-V88 HydrophobicContact CG1-CG2 4.45Å; V59-V88 HydrophobicContact CG2-CG2 4.36Å; V59-L92 HydrophobicContact CG2-CD2 4.15Å |
| 60 | Q | 80.9 | Confident | 72.4 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.6 | 173.8 | -65 | -175.7 | -16.3 | 0 | 0 | 109.5 | Y58 Y86 S87 | Y58-Q60 PolarHBondContact O-N 2.98Å; Q60-Y86 CarbonylContact O-C 3.6Å; Q60-Y86 WeakPolarHBondContact O-CA 3.47Å; Q60-S87 PolarHBondContact N-O 2.74Å; Q60-S87 PolarHBondContact O-N 2.88Å |
| 61 | T | 84 | Confident | 70.1 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 144 | 169.9 | 49.1 | 0 | 0 | 0 | 0 | 110.9 | V84 A85 Y86 | T61-V84 HydrophobicContact CG2-CG1 3.58Å; T61-A85 CarbonylContact C-O 3.45Å; T61-A85 WeakPolarHBondContact CA-O 3.46Å; T61-Y86 HydrophobicContact CG2-CD1 3.96Å; T61-Y86 HydrophobicContact CG2-CE1 3.79Å |
| 62 | S | 79.4 | Confident | 67.9 | Low | 24 Ų | 24 | 86.8 Ų | 86.8 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.2 | 171.5 | 72.5 | 0 | 0 | 0 | 0 | 109.7 | G64 A85 F239 | S62-G64 PolarHBondContact O-N 2.92Å; S62-A85 PolarHBondContact N-O 3.16Å; S62-A85 PolarHBondContact O-N 2.99Å; S62-F239 WeakPolarHBondContact OG-CD1 3.25Å |
| 63 | P | 77.6 | Confident | 65.8 | Low | 85 Ų | 85 | 88.7 Ų | 88.7 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 137.5 | 162.1 | -22.5 | 34 | 0 | 0 | 0 | 110 | ||
| 64 | G | 80.8 | Confident | 63.4 | Low | 5 Ų | 5 | 93.7 Ų | 93.7 | 5% | 0.052 | 51% | 0.514 | C | S | . | . | trans | -71.3 | -162.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S62 C66 N83 E241 | S62-G64 PolarHBondContact O-N 2.92Å; G64-C66 VanDerWaalsContact C-N 3.33Å; G64-N83 PolarHBondContact N-O 3.22Å; G64-E241 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 65 | R | 86.8 | Confident | 61.1 | Low | 45 Ų | 45 | 96.1 Ų | 96.1 | 17% | 0.17 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -66.4 | -37.3 | 175.3 | -176.8 | 172.8 | 54.8 | 90.7 | 2.7 | 111.2 | W190 E241 S260 P261 | R65-W190 HydrophobicContact CB-CD2 4.07Å; R65-W190 HydrophobicContact CB-CG 4.12Å; R65-W190 HydrophobicContact CG-CB 4.11Å; R65-W190 HydrophobicContact CG-CD2 4.49Å; R65-W190 HydrophobicContact CG-CG 4.04Å; R65-E241 WeakPolarHBondContact CB-OE2 3.38Å; R65-E241 PolarHBondContact N-OE1 3.3Å; R65-E241 IonicContact NE-OE2 2.72Å; R65-S260 PolarHBondContact NH2-O 3.32Å; R65-S260 PolarHBondContact NH2-OG 2.87Å; R65-P261 PolarHBondContact NH1-O 3.29Å; R65-P261 PolarHBondContact NH2-O 3.43Å |
| 66 | C | 80 | Confident | 59 | Low | 20 Ų | 20 | 94.2 Ų | 94.2 | 14% | 0.135 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -94.2 | 117.6 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | G64 C263 | G64-C66 VanDerWaalsContact C-N 3.33Å; C66-C263 WeakPolarHBondContact CA-SG 3.42Å; C66-C263 HydrophobicContact CB-CB 3.84Å; C66-C263 WeakPolarHBondContact CB-SG 3.41Å; C66-C263 WeakPolarHBondContact SG-CA 3.46Å; C66-C263 WeakPolarHBondContact SG-CB 3.17Å; C66-C263 CovalentContact SG-SG 2.04Å; C66-C263 PolarHBondContact SG-SG 2.94Å |
| 67 | R | 59.9 | Low | 57 | Low | 201 Ų | 201 | 96.2 Ų | 96.2 | 76% | 0.758 | 55% | 0.548 | S | S | * | . | trans | -90.7 | 127.5 | 166.3 | -71 | -179.6 | 173.8 | 177.6 | -3.6 | 108.6 | ||||
| 68 | Q | 53.9 | Low | 55.9 | Low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | trans | -121.1 | 132.2 | 161.4 | -81.1 | -174.8 | -54.5 | 0 | 0 | 108.4 | ||||
| 69 | D | 39.7 | Very low | 54.4 | Low | 160 Ų | 160 | 99.7 Ų | 99.7 | 86% | 0.856 | 57% | 0.566 | S | S | * | * | trans | -68.1 | 133.4 | 171.8 | -79.1 | -36 | 0 | 0 | 0 | 109.9 | N71 | D69-N71 VanDerWaalsContact C-N 3.26Å; D69-N71 PolarHBondContact O-N 3.01Å | ||
| 70 | S | 35.2 | Very low | 52.6 | Low | 120 Ų | 120 | 102.4 Ų | 102.4 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 64.5 | -169.6 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 71 | N | 32.3 | Very low | 51 | Low | 155 Ų | 155 | 101.7 Ų | 101.7 | 83% | 0.829 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | -4.8 | -179.1 | -104.4 | -11.7 | 0 | 0 | 0 | 117 | D69 | D69-N71 VanDerWaalsContact C-N 3.26Å; D69-N71 PolarHBondContact O-N 3.01Å |
| 72 | D | 32.1 | Very low | 49.6 | Very low | 150 Ų | 150 | 102.4 Ų | 102.4 | 80% | 0.802 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -128.6 | 136.7 | 176.4 | -89.6 | -54 | 0 | 0 | 0 | 114.3 | ||
| 73 | L | 40.8 | Very low | 48.9 | Very low | 145 Ų | 145 | 103.5 Ų | 103.5 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | trans | 65.2 | 82.6 | 175.9 | -81.7 | 78.2 | 0 | 0 | 0 | 119.1 | T75 | L73-T75 PolarHBondContact O-N 3.29Š| ||
| 74 | A | 29.8 | Very low | 49 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 88% | 0.884 | 57% | 0.568 | S | S | * | * | trans | -74 | 60.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 75 | T | 29.8 | Very low | 49.3 | Very low | 124 Ų | 124 | 101 Ų | 101 | 76% | 0.761 | 57% | 0.565 | S | S | * | * | trans | -153.3 | 52.7 | 172.4 | 37.4 | 0 | 0 | 0 | 0 | 114.7 | L73 | L73-T75 PolarHBondContact O-N 3.29Š| ||
| 76 | S | 32.6 | Very low | 49.4 | Very low | 78 Ų | 78 | 99.8 Ų | 99.8 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | trans | -166.8 | 117.6 | 152.4 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | N78 | S76-N78 PolarHBondContact O-N 2.89Å; S76-N78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | S | 31.6 | Very low | 49.7 | Very low | 113 Ų | 113 | 99.9 Ų | 99.9 | 79% | 0.79 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -0.2 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 78 | N | 37.2 | Very low | 50.8 | Low | 109 Ų | 109 | 90.3 Ų | 90.3 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 4.7 | -168.7 | -65.1 | 0.5 | 0 | 0 | 0 | 114.5 | S76 | S76-N78 PolarHBondContact O-N 2.89Å; S76-N78 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 40.6 | Very low | 51.8 | Low | 76 Ų | 76 | 87.3 Ų | 87.3 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -100.8 | -23.2 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | E81 R82 | V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.12Å; V79-R82 PolarHBondContact O-N 3.32Å |
| 80 | A | 39.3 | Very low | 53.4 | Low | 82 Ų | 82 | 88 Ų | 88 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 81 | E | 48.4 | Very low | 55 | Low | 122 Ų | 122 | 84 Ų | 84 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.6 | 179.5 | -70.9 | -177 | 155.7 | 0 | 0 | 113.6 | V79 N83 V84 | V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.12Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-N83 PolarHBondContact O-N 3.13Å; E81-V84 PolarHBondContact O-N 3.21Å |
| 82 | R | 54.4 | Low | 56.8 | Low | 115 Ų | 115 | 77.9 Ų | 77.9 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -15.8 | -174.6 | -80.7 | -171.4 | 175.9 | -170.5 | -3 | 115.4 | V79 | V79-R82 PolarHBondContact O-N 3.32Š|
| 83 | N | 64.7 | Low | 58.8 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.8 | 176.2 | -66.1 | -18.8 | 0 | 0 | 0 | 112 | G64 E81 | G64-N83 PolarHBondContact N-O 3.22Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-N83 PolarHBondContact O-N 3.13Å |
| 84 | V | 78.4 | Confident | 60.6 | Low | 38 Ų | 38 | 66.7 Ų | 66.7 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.2 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | T61 E81 Y86 | T61-V84 HydrophobicContact CG2-CG1 3.58Å; E81-V84 PolarHBondContact O-N 3.21Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; V84-Y86 WeakPolarHBondContact O-CE2 3.32Å |
| 85 | A | 87.5 | Confident | 63 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 157.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | T61 S62 W190 F239 I240 E241 | T61-A85 CarbonylContact C-O 3.45Å; T61-A85 WeakPolarHBondContact CA-O 3.46Å; S62-A85 PolarHBondContact N-O 3.16Å; S62-A85 PolarHBondContact O-N 2.99Å; A85-W190 HydrophobicContact CB-CH2 3.53Å; A85-W190 HydrophobicContact CB-CZ2 4.08Å; A85-F239 HydrophobicContact CB-CB 4.09Å; A85-I240 CarbonylContact C-O 3.48Å; A85-I240 VanDerWaalsContact CA-O 3.31Å; A85-I240 WeakPolarHBondContact CA-O 3.49Å; A85-E241 HydrophobicContact CB-CB 4.15Å |
| 86 | Y | 89.1 | Confident | 65.3 | Low | 19 Ų | 19 | 62.3 Ų | 62.3 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.4 | -172.3 | -59 | -82.2 | 0 | 0 | 0 | 110.5 | L48 I53 V59 Q60 T61 V84 F239 I240 | L48-Y86 HydrophobicContact CD1-CD2 4.12Å; L48-Y86 HydrophobicContact CD1-CE2 4.43Å; I53-Y86 HydrophobicContact CD1-CG 4.23Å; I53-Y86 HydrophobicContact CG1-CD1 4.44Å; I53-Y86 HydrophobicContact CG1-CG 4.32Å; I53-Y86 HydrophobicContact CG2-CD1 3.9Å; I53-Y86 HydrophobicContact CG2-CD2 3.78Å; I53-Y86 HydrophobicContact CG2-CE1 3.86Å; I53-Y86 HydrophobicContact CG2-CE2 3.76Å; I53-Y86 HydrophobicContact CG2-CG 3.86Å; V59-Y86 HydrophobicContact CG1-CD1 3.68Å; V59-Y86 HydrophobicContact CG1-CG 4.14Å; Q60-Y86 CarbonylContact O-C 3.6Å; Q60-Y86 WeakPolarHBondContact O-CA 3.47Å; T61-Y86 HydrophobicContact CG2-CD1 3.96Å; T61-Y86 HydrophobicContact CG2-CE1 3.79Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; V84-Y86 WeakPolarHBondContact O-CE2 3.32Å; Y86-F239 WeakPolarHBondContact O-CA 3.5Å; Y86-I240 PolarHBondContact N-O 2.62Å; Y86-I240 PolarHBondContact O-N 3.05Å |
| 87 | S | 87.5 | Confident | 67.4 | Low | 22 Ų | 22 | 64.3 Ų | 64.3 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.3 | 166.3 | -160.8 | 0 | 0 | 0 | 0 | 109.2 | V59 Q60 G238 | V59-S87 WeakPolarHBondContact CA-O 3.3Å; Q60-S87 PolarHBondContact N-O 2.74Å; Q60-S87 PolarHBondContact O-N 2.88Å; S87-G238 WeakPolarHBondContact CA-O 3.07Å; S87-G238 WeakPolarHBondContact CB-O 3.31Å; S87-G238 PolarHBondContact OG-O 2.99Å |
| 88 | V | 82.4 | Confident | 69.1 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -110 | 112.6 | -172.7 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | I53 V59 L92 L232 G235 I236 | I53-V88 HydrophobicContact CD1-CG2 3.83Å; V59-V88 HydrophobicContact CG1-CG2 4.45Å; V59-V88 HydrophobicContact CG2-CG2 4.36Å; V88-L92 HydrophobicContact CG1-CB 4.02Å; V88-L92 HydrophobicContact CG1-CD2 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L232 HydrophobicContact CG2-CD1 3.84Å; V88-G235 CarbonylContact O-C 3.59Å; V88-G235 VanDerWaalsContact O-CA 3.27Å; V88-G235 WeakPolarHBondContact O-CA 3.21Å; V88-I236 PolarHBondContact O-N 3.24Å; V88-I236 VanDerWaalsContact O-O 3.04Å | ||
| 89 | P | 75.1 | Confident | 70.5 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | trans | -69 | 159.4 | -171.3 | 29.2 | -37.3 | 0 | 0 | 0 | 113.2 | Y58 G91 L92 | Y58-P89 WeakPolarHBondContact O-CD 3.42Å; Y58-P89 VanDerWaalsContact O-CG 3.3Å; Y58-P89 WeakPolarHBondContact O-CG 3.19Å; P89-G91 PolarHBondContact O-N 2.84Å; P89-L92 PolarHBondContact O-N 3.05Å | ||
| 90 | R | 73.1 | Confident | 71.6 | Confident | 173 Ų | 173 | 61.6 Ų | 61.6 | 65% | 0.653 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 135.4 | 177.5 | -72.1 | -168.9 | 175.3 | 153.2 | 15.8 | 112 | D234 H237 | R90-D234 WeakPolarHBondContact CA-O 3.33Å; R90-H237 WeakPolarHBondContact CG-NE2 3.28Å; R90-H237 VanDerWaalsContact CZ-NE2 3.34Å; R90-H237 PolarHBondContact NE-CE1 2.86Å; R90-H237 PolarHBondContact NE-NE2 3.11Å; R90-H237 PolarHBondContact NH2-CE1 2.82Å; R90-H237 PolarHBondContact NH2-NE2 3.07Å; R90-H237 VanDerWaalsContact NH2-NE2 3.16Å |
| 91 | G | 67.4 | Low | 72.6 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -7.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P89 N93 | P89-G91 PolarHBondContact O-N 2.84Å; G91-N93 PolarHBondContact O-ND2 2.91Å |
| 92 | L | 71.6 | Confident | 73.3 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | trans | -72.9 | 134.4 | 166.3 | -160.6 | 71 | 0 | 0 | 0 | 109.4 | V59 V88 P89 L94 D234 G235 | V59-L92 HydrophobicContact CG2-CD2 4.15Å; V88-L92 HydrophobicContact CG1-CB 4.02Å; V88-L92 HydrophobicContact CG1-CD2 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; P89-L92 PolarHBondContact O-N 3.05Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.3Å; L92-L94 HydrophobicContact CG-CD2 4.09Å; L92-L94 HydrophobicContact CG-CG 4.49Å; L92-D234 VanDerWaalsContact O-CA 3.23Å; L92-D234 WeakPolarHBondContact O-CA 3.47Å; L92-D234 PolarHBondContact O-N 2.88Å; L92-G235 PolarHBondContact O-N 2.86Å | ||
| 93 | N | 73.2 | Confident | 73.4 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | trans | -130.1 | 108.2 | 179 | -83 | -74.4 | 0 | 0 | 0 | 108.9 | G91 Y95 Q230 K233 D234 | G91-N93 PolarHBondContact O-ND2 2.91Å; N93-Y95 HydrophobicContact CB-CE2 3.86Å; N93-Q230 PolarHBondContact OD1-NE2 3.02Å; N93-K233 WeakPolarHBondContact OD1-CA 3.35Å; N93-K233 VanDerWaalsContact OD1-CG 3.3Å; N93-K233 WeakPolarHBondContact OD1-CG 3Å; N93-D234 PolarHBondContact ND2-OD1 2.92Å; N93-D234 PolarHBondContact OD1-N 3.27Å | ||
| 94 | L | 78.3 | Confident | 73 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.4 | -177.4 | -55.6 | 172.6 | 0 | 0 | 0 | 109.3 | V51 Q56 L92 Q230 V231 L232 | V51-L94 HydrophobicContact CB-CB 4.48Å; V51-L94 HydrophobicContact CB-CD1 4.36Å; V51-L94 HydrophobicContact CG1-CB 4.09Å; V51-L94 HydrophobicContact CG2-CD1 3.97Å; Q56-L94 HydrophobicContact CG-CD2 4.15Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.3Å; L92-L94 HydrophobicContact CG-CD2 4.09Å; L92-L94 HydrophobicContact CG-CG 4.49Å; L94-Q230 WeakPolarHBondContact O-CA 3.42Å; L94-V231 HydrophobicContact CB-CB 4.35Å; L94-V231 WeakPolarHBondContact CB-O 3.25Å; L94-V231 PolarHBondContact N-O 2.81Å; L94-V231 PolarHBondContact O-N 3.45Å; L94-L232 HydrophobicContact CD1-CD1 4.49Å |
| 95 | Y | 80.6 | Confident | 72.1 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.4 | 179 | -66.7 | -85 | 0 | 0 | 0 | 110.5 | N93 I229 Q230 | N93-Y95 HydrophobicContact CB-CE2 3.86Å; Y95-I229 CarbonylContact C-O 3.02Å; Y95-I229 VanDerWaalsContact CA-O 3.3Å; Y95-I229 WeakPolarHBondContact CA-O 3.1Å; Y95-Q230 HydrophobicContact CD1-CB 3.8Å; Y95-Q230 HydrophobicContact CD1-CG 3.96Å; Y95-Q230 HydrophobicContact CE1-CB 3.67Å; Y95-Q230 HydrophobicContact CE1-CG 3.56Å; Y95-Q230 PolarHBondContact OH-NE2 2.8Å |
| 96 | I | 79.1 | Confident | 70.9 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.5 | 174.4 | -37.6 | 164.6 | 0 | 0 | 0 | 108.6 | V47 A50 V51 L101 I229 V231 | V47-I96 HydrophobicContact CG1-CD1 3.82Å; A50-I96 HydrophobicContact CB-CD1 4.41Å; V51-I96 HydrophobicContact CG1-CD1 3.55Å; V51-I96 HydrophobicContact CG1-CG1 3.56Å; I96-L101 HydrophobicContact CB-CD1 3.85Å; I96-L101 HydrophobicContact CB-CD2 4.35Å; I96-L101 HydrophobicContact CB-CG 4.22Å; I96-L101 HydrophobicContact CD1-CD1 3.86Å; I96-L101 HydrophobicContact CD1-CD2 4.2Å; I96-L101 HydrophobicContact CG1-CD1 4.46Å; I96-L101 HydrophobicContact CG2-CD1 3.83Å; I96-L101 HydrophobicContact CG2-CD2 3.47Å; I96-L101 VanDerWaalsContact CG2-CD2 3.47Å; I96-L101 HydrophobicContact CG2-CG 3.63Å; I96-I229 PolarHBondContact N-O 2.9Å; I96-I229 PolarHBondContact O-N 2.95Å; I96-V231 HydrophobicContact CD1-CG2 4.22Å |
| 97 | E | 75 | Confident | 69.8 | Low | 121 Ų | 121 | 59.3 Ų | 59.3 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.7 | 170.3 | -63.2 | -157.7 | 146.3 | 0 | 0 | 109.9 | R99 S100 | E97-R99 PolarHBondContact O-N 3.45Å; E97-S100 PolarHBondContact O-N 3.2Å; E97-S100 PolarHBondContact O-OG 3.19Å |
| 98 | G | 68 | Low | 68.7 | Low | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -25.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L101 I102 N225 G227 | G98-L101 PolarHBondContact O-N 2.78Å; G98-I102 PolarHBondContact O-N 3.26Å; G98-N225 CarbonylContact C-O 3.47Å; G98-N225 VanDerWaalsContact CA-O 3.23Å; G98-N225 WeakPolarHBondContact CA-O 3.33Å; G98-G227 PolarHBondContact N-O 3.15Å |
| 99 | R | 67.4 | Low | 68.5 | Low | 153 Ų | 153 | 63.6 Ų | 63.6 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -78.8 | -25 | -176.1 | -165.1 | 178.1 | -175.4 | -165.2 | -1.2 | 113.2 | E97 N225 | E97-R99 PolarHBondContact O-N 3.45Å; R99-N225 PolarHBondContact N-O 3.27Å |
| 100 | S | 62.7 | Low | 68.8 | Low | 86 Ų | 86 | 61.1 Ų | 61.1 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -79.8 | -8.2 | 168.9 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | E97 | E97-S100 PolarHBondContact O-N 3.2Å; E97-S100 PolarHBondContact O-OG 3.19Å |
| 101 | L | 61.7 | Low | 69.4 | Low | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -105.4 | -42.3 | -179 | -61.8 | -171 | 0 | 0 | 0 | 113.7 | L45 A50 I96 G98 I229 | L45-L101 HydrophobicContact CD1-CD2 3.65Å; L45-L101 HydrophobicContact CD2-CB 3.85Å; L45-L101 HydrophobicContact CD2-CD1 3.83Å; L45-L101 HydrophobicContact CD2-CD2 3.36Å; L45-L101 HydrophobicContact CD2-CG 3.84Å; L45-L101 HydrophobicContact CG-CD2 4.1Å; A50-L101 HydrophobicContact CB-CD2 4.07Å; I96-L101 HydrophobicContact CB-CD1 3.85Å; I96-L101 HydrophobicContact CB-CD2 4.35Å; I96-L101 HydrophobicContact CB-CG 4.22Å; I96-L101 HydrophobicContact CD1-CD1 3.86Å; I96-L101 HydrophobicContact CD1-CD2 4.2Å; I96-L101 HydrophobicContact CG1-CD1 4.46Å; I96-L101 HydrophobicContact CG2-CD1 3.83Å; I96-L101 HydrophobicContact CG2-CD2 3.47Å; I96-L101 VanDerWaalsContact CG2-CD2 3.47Å; I96-L101 HydrophobicContact CG2-CG 3.63Å; G98-L101 PolarHBondContact O-N 2.78Å; L101-I229 HydrophobicContact CD1-CB 4.38Å; L101-I229 HydrophobicContact CD1-CD1 3.48Å; L101-I229 VanDerWaalsContact CD1-CD1 3.48Å; L101-I229 HydrophobicContact CD1-CG1 3.96Å |
| 102 | I | 62.9 | Low | 70.5 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | trans | -131.2 | 108.1 | 174.4 | -46.4 | -167.8 | 0 | 0 | 0 | 107.2 | G98 D104 F106 P107 N225 | G98-I102 PolarHBondContact O-N 3.26Å; I102-D104 CarbonylContact C-O 3.1Å; I102-D104 VanDerWaalsContact CG2-O 3.31Å; I102-D104 WeakPolarHBondContact CG2-O 3.42Å; I102-D104 PolarHBondContact O-N 3.11Å; I102-F106 HydrophobicContact CD1-CD1 4.33Å; I102-F106 HydrophobicContact CD1-CD2 3.42Å; I102-F106 VanDerWaalsContact CD1-CD2 3.42Å; I102-F106 HydrophobicContact CD1-CE1 4.44Å; I102-F106 HydrophobicContact CD1-CE2 3.5Å; I102-F106 HydrophobicContact CD1-CG 3.84Å; I102-F106 HydrophobicContact CD1-CZ 4.05Å; I102-F106 HydrophobicContact CG1-CD2 4.03Å; I102-F106 HydrophobicContact CG1-CE2 4.09Å; I102-P107 HydrophobicContact CD1-CG 4.41Å; I102-N225 PolarHBondContact O-ND2 3.4Å | ||
| 103 | P | 56.2 | Low | 71.4 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 66% | 0.656 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -67.4 | -25.3 | -176.7 | 25.8 | -33.5 | 0 | 0 | 0 | 112.6 | N225 | P103-N225 PolarHBondContact O-ND2 3.24Š|
| 104 | D | 56 | Low | 72.2 | Confident | 123 Ų | 123 | 47.3 Ų | 47.3 | 66% | 0.658 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -95.3 | 173.8 | 169.4 | -62.9 | -54.7 | 0 | 0 | 0 | 111.7 | I102 N225 | I102-D104 CarbonylContact C-O 3.1Å; I102-D104 VanDerWaalsContact CG2-O 3.31Å; I102-D104 WeakPolarHBondContact CG2-O 3.42Å; I102-D104 PolarHBondContact O-N 3.11Å; D104-N225 VanDerWaalsContact C-ND2 3.29Å; D104-N225 WeakPolarHBondContact O-CB 3.29Å; D104-N225 PolarHBondContact O-ND2 2.94Å |
| 105 | S | 60.2 | Low | 72.9 | Confident | 65 Ų | 65 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 141.5 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 106 | F | 61.7 | Low | 73.4 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.022 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -56.5 | 131 | -178.5 | -142.6 | -94.3 | 0 | 0 | 0 | 110 | I102 L110 L129 I223 I229 | I102-F106 HydrophobicContact CD1-CD1 4.33Å; I102-F106 HydrophobicContact CD1-CD2 3.42Å; I102-F106 VanDerWaalsContact CD1-CD2 3.42Å; I102-F106 HydrophobicContact CD1-CE1 4.44Å; I102-F106 HydrophobicContact CD1-CE2 3.5Å; I102-F106 HydrophobicContact CD1-CG 3.84Å; I102-F106 HydrophobicContact CD1-CZ 4.05Å; I102-F106 HydrophobicContact CG1-CD2 4.03Å; I102-F106 HydrophobicContact CG1-CE2 4.09Å; F106-L110 HydrophobicContact CE1-CD1 3.7Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CE1-CG 4.24Å; F106-L110 HydrophobicContact CZ-CD1 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; F106-L129 HydrophobicContact CD1-CD2 4.03Å; F106-L129 HydrophobicContact CE1-CD2 3.74Å; F106-L129 HydrophobicContact CE2-CD1 4.2Å; F106-L129 HydrophobicContact CE2-CD2 4.48Å; F106-L129 HydrophobicContact CG-CD2 4.49Å; F106-L129 HydrophobicContact CZ-CD1 4.35Å; F106-L129 HydrophobicContact CZ-CD2 4Å; F106-I223 HydrophobicContact CB-CB 3.55Å; F106-I223 HydrophobicContact CB-CD1 4.24Å; F106-I223 HydrophobicContact CB-CG1 4.46Å; F106-I223 HydrophobicContact CB-CG2 3.56Å; F106-I223 HydrophobicContact CD1-CD1 4.06Å; F106-I223 HydrophobicContact CG-CB 4.46Å; F106-I223 HydrophobicContact CG-CD1 4.49Å; F106-I223 HydrophobicContact CG-CG2 4.13Å; F106-I223 PolarHBondContact N-O 3.35Å; F106-I229 HydrophobicContact CE2-CD1 3.79Å; F106-I229 HydrophobicContact CZ-CD1 4.16Å |
| 107 | P | 65.6 | Low | 73.8 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 148.7 | -177.5 | 29.2 | -35.9 | 0 | 0 | 0 | 110.4 | I102 D109 P247 | I102-P107 HydrophobicContact CD1-CG 4.41Å; P107-D109 WeakPolarHBondContact CB-O 3.27Å; P107-D109 WeakPolarHBondContact CG-O 3.21Å; P107-D109 PolarHBondContact O-N 2.84Å; P107-P247 HydrophobicContact CG-CB 3.97Å |
| 108 | P | 65.4 | Low | 74.3 | Confident | 68 Ų | 68 | 39.8 Ų | 39.8 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -62.6 | -36.9 | 176.5 | 26.2 | -33.2 | 0 | 0 | 0 | 111.1 | T199 R218 | P108-T199 HydrophobicContact CB-CG2 4.03Å; P108-R218 PolarHBondContact O-NH1 3.36Å |
| 109 | D | 77.1 | Confident | 74.9 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -103.6 | 132.1 | 178.2 | -48.1 | -53.3 | 0 | 0 | 0 | 110.3 | P107 I197 G198 T199 G248 E249 | P107-D109 WeakPolarHBondContact CB-O 3.27Å; P107-D109 WeakPolarHBondContact CG-O 3.21Å; P107-D109 PolarHBondContact O-N 2.84Å; D109-I197 WeakPolarHBondContact CA-O 3.14Å; D109-G198 VanDerWaalsContact OD1-CA 3.23Å; D109-G198 WeakPolarHBondContact OD1-CA 3.47Å; D109-T199 WeakPolarHBondContact OD1-CG2 3.29Å; D109-T199 PolarHBondContact OD1-N 3.17Å; D109-G248 PolarHBondContact O-N 3.36Å; D109-E249 HydrophobicContact CB-CG 4.12Å |
| 110 | L | 81.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142 | -174.4 | 179.9 | 88.9 | 0 | 0 | 0 | 110 | F106 I112 I197 L245 L246 G248 | F106-L110 HydrophobicContact CE1-CD1 3.7Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CE1-CG 4.24Å; F106-L110 HydrophobicContact CZ-CD1 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CD2-CG1 3.48Å; L110-I112 VanDerWaalsContact CD2-CG1 3.48Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; L110-I197 PolarHBondContact N-O 3.37Å; L110-I197 WeakPolarHBondContact O-CA 3.16Å; L110-I197 WeakPolarHBondContact O-CB 3.46Å; L110-I197 PolarHBondContact O-N 3.43Å; L110-L245 HydrophobicContact CD2-CD2 4.41Å; L110-L246 WeakPolarHBondContact CD1-O 3.21Å; L110-G248 CarbonylContact C-O 3.2Å |
| 111 | S | 86.4 | Confident | 75 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.8 | 166.2 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | V195 L246 G248 E249 G251 | S111-V195 WeakPolarHBondContact CA-O 3.29Å; S111-L246 PolarHBondContact N-O 2.79Å; S111-L246 PolarHBondContact O-N 3.4Å; S111-G248 PolarHBondContact N-O 3.45Å; S111-G248 PolarHBondContact OG-O 3.4Å; S111-E249 PolarHBondContact OG-O 3.01Å; S111-G251 PolarHBondContact OG-N 2.53Å |
| 112 | I | 89 | Confident | 75.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.8 | -179.5 | -57.6 | -164.6 | 0 | 0 | 0 | 108.1 | L110 F114 F127 I140 A194 V195 I197 F243 L245 | L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CD2-CG1 3.48Å; L110-I112 VanDerWaalsContact CD2-CG1 3.48Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; I112-F114 HydrophobicContact CG2-CD1 4.24Å; I112-F114 HydrophobicContact CG2-CE1 4.43Å; I112-F127 HydrophobicContact CD1-CD1 3.95Å; I112-F127 HydrophobicContact CD1-CE1 3.82Å; I112-F127 HydrophobicContact CD1-CG 4.42Å; I112-F127 HydrophobicContact CD1-CZ 4.17Å; I112-I140 HydrophobicContact CD1-CD1 3.72Å; I112-I140 HydrophobicContact CG2-CD1 4.34Å; I112-A194 WeakPolarHBondContact O-CA 3.25Å; I112-V195 PolarHBondContact N-O 2.71Å; I112-V195 PolarHBondContact O-N 2.75Å; I112-I197 HydrophobicContact CD1-CD1 3.77Å; I112-I197 HydrophobicContact CG1-CD1 4.11Å; I112-F243 HydrophobicContact CG2-CE2 3.7Å; I112-F243 HydrophobicContact CG2-CZ 4.31Å; I112-L245 HydrophobicContact CB-CD2 4.2Å; I112-L245 HydrophobicContact CD1-CD2 4.02Å; I112-L245 HydrophobicContact CG1-CD2 3.67Å; I112-L245 HydrophobicContact CG2-CD2 4.04Å |
| 113 | L | 90.9 | Very high | 75.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.4 | -168.1 | -85.6 | 62.9 | 0 | 0 | 0 | 109.2 | V193 A194 F243 Y244 L246 Q255 Y259 | L113-V193 WeakPolarHBondContact CA-O 3.4Å; L113-A194 HydrophobicContact CD1-CB 4.01Å; L113-A194 HydrophobicContact CG-CB 3.86Å; L113-F243 CarbonylContact O-C 3.52Å; L113-F243 WeakPolarHBondContact O-CA 2.99Å; L113-F243 WeakPolarHBondContact O-CD2 3.22Å; L113-Y244 PolarHBondContact N-O 3.32Å; L113-Y244 PolarHBondContact O-N 2.8Å; L113-L246 HydrophobicContact CD1-CD1 4.19Å; L113-L246 HydrophobicContact CD2-CD1 3.81Å; L113-L246 HydrophobicContact CD2-CD2 4.49Å; L113-L246 HydrophobicContact CG-CD1 4.42Å; L113-Q255 HydrophobicContact CD2-CB 3.95Å; L113-Q255 VanDerWaalsContact CD2-OE1 3.24Å; L113-Q255 HydrophobicContact CG-CB 4.1Å; L113-Q255 HydrophobicContact CG-CG 4.41Å; L113-Y259 HydrophobicContact CD2-CD2 3.49Å; L113-Y259 VanDerWaalsContact CD2-CD2 3.49Å; L113-Y259 HydrophobicContact CD2-CE2 3.99Å; L113-Y259 HydrophobicContact CD2-CG 4.14Å |
| 114 | F | 91.3 | Very high | 76.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 152.8 | 179.5 | 55.8 | -86.8 | 0 | 0 | 0 | 113.2 | I112 I116 F126 I142 L146 V193 D242 F243 | I112-F114 HydrophobicContact CG2-CD1 4.24Å; I112-F114 HydrophobicContact CG2-CE1 4.43Å; F114-I116 HydrophobicContact CD2-CB 4.15Å; F114-I116 HydrophobicContact CD2-CG2 3.86Å; F114-I116 HydrophobicContact CE2-CG2 3.9Å; F114-F126 HydrophobicContact CB-CE1 4.3Å; F114-F126 HydrophobicContact CB-CZ 3.9Å; F114-F126 AromaticContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CZ 4.01Å; F114-F126 HydrophobicContact CD2-CE1 4.19Å; F114-F126 HydrophobicContact CD2-CE2 4.44Å; F114-F126 AromaticContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CE1-CD1 4.37Å; F114-F126 AromaticContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CZ 4.49Å; F114-F126 HydrophobicContact CE2-CE1 4.42Å; F114-F126 HydrophobicContact CE2-CZ 4.32Å; F114-F126 AromaticContact CG-CE1 3.79Å; F114-F126 HydrophobicContact CG-CE1 3.79Å; F114-F126 AromaticContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CZ-CE1 4.27Å; F114-I142 HydrophobicContact CZ-CG2 4.33Å; F114-L146 HydrophobicContact CZ-CD1 4.22Å; F114-V193 HydrophobicContact CD1-CB 4.41Å; F114-V193 HydrophobicContact CD2-CB 3.96Å; F114-V193 HydrophobicContact CD2-CG2 4.3Å; F114-V193 HydrophobicContact CE1-CB 4.08Å; F114-V193 HydrophobicContact CE1-CG1 3.84Å; F114-V193 HydrophobicContact CE2-CB 3.59Å; F114-V193 HydrophobicContact CE2-CG1 3.92Å; F114-V193 HydrophobicContact CE2-CG2 3.79Å; F114-V193 HydrophobicContact CG-CB 4.36Å; F114-V193 HydrophobicContact CZ-CB 3.66Å; F114-V193 HydrophobicContact CZ-CG1 3.46Å; F114-V193 VanDerWaalsContact CZ-CG1 3.46Å; F114-V193 HydrophobicContact CZ-CG2 4.21Å; F114-V193 PolarHBondContact N-O 3.25Å; F114-V193 PolarHBondContact O-N 3.05Å; F114-D242 VanDerWaalsContact CA-O 3.24Å; F114-D242 WeakPolarHBondContact CA-O 3.4Å; F114-D242 WeakPolarHBondContact CB-O 3.34Å; F114-F243 HydrophobicContact CB-CB 4.46Å; F114-F243 HydrophobicContact CB-CD2 4.09Å; F114-F243 HydrophobicContact CB-CG 4.38Å |
| 115 | T | 91.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.5 | 177.9 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | W190 H191 R192 I240 E241 D242 S260 | T115-W190 HydrophobicContact CG2-CE3 4.25Å; T115-H191 WeakPolarHBondContact CA-O 3.39Å; T115-R192 HydrophobicContact CG2-CG 3.98Å; T115-I240 WeakPolarHBondContact O-CA 3.41Å; T115-I240 WeakPolarHBondContact O-CG1 3.43Å; T115-E241 HydrophobicContact CG2-CB 4.19Å; T115-E241 VanDerWaalsContact CG2-OE2 3.28Å; T115-E241 WeakPolarHBondContact CG2-OE2 3.43Å; T115-E241 PolarHBondContact O-N 2.88Å; T115-D242 WeakPolarHBondContact CB-OD2 3.44Å; T115-D242 PolarHBondContact N-O 3.23Å; T115-D242 PolarHBondContact OG1-OD2 3.42Å; T115-S260 WeakPolarHBondContact OG1-CB 3.48Å; T115-S260 PolarHBondContact OG1-OG 2.85Å; T115-S260 VanDerWaalsContact OG1-OG 3.06Å |
| 116 | I | 90.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.3 | -166.7 | -160.6 | 173.7 | 0 | 0 | 0 | 112.4 | F114 L118 F126 I142 W190 H191 I236 F239 I240 | F114-I116 HydrophobicContact CD2-CB 4.15Å; F114-I116 HydrophobicContact CD2-CG2 3.86Å; F114-I116 HydrophobicContact CE2-CG2 3.9Å; I116-L118 HydrophobicContact CD1-CD2 3.58Å; I116-L118 HydrophobicContact CD1-CG 3.99Å; I116-L118 HydrophobicContact CG1-CD2 4.1Å; I116-L118 HydrophobicContact CG1-CG 4.25Å; I116-F126 HydrophobicContact CD1-CD2 4.45Å; I116-F126 HydrophobicContact CD1-CE2 3.99Å; I116-I142 HydrophobicContact CD1-CD1 3.69Å; I116-W190 VanDerWaalsContact C-CE3 3.49Å; I116-H191 PolarHBondContact N-O 3.18Å; I116-H191 PolarHBondContact O-N 3.44Å; I116-I236 HydrophobicContact CD1-CD1 3.82Å; I116-I236 HydrophobicContact CD1-CG2 4.43Å; I116-F239 CarbonylContact C-O 3.39Å; I116-F239 WeakPolarHBondContact CA-O 3.46Å; I116-F239 WeakPolarHBondContact CG1-O 3.47Å; I116-I240 HydrophobicContact CG1-CB 4.46Å |
| 117 | R | 89.4 | Confident | 80.6 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.8 | 168.8 | 172.6 | 173.3 | -168.8 | -154.7 | 1.3 | 109.2 | G188 L189 W190 G238 F239 | R117-G188 PolarHBondContact NE-O 2.83Å; R117-G188 PolarHBondContact NH2-O 2.98Å; R117-G188 VanDerWaalsContact NH2-O 3.13Å; R117-L189 VanDerWaalsContact CA-O 3.26Å; R117-L189 WeakPolarHBondContact CA-O 2.98Å; R117-L189 WeakPolarHBondContact CB-O 3.47Å; R117-L189 WeakPolarHBondContact CG-O 2.91Å; R117-W190 HydrophobicContact CB-CD2 3.64Å; R117-W190 HydrophobicContact CB-CE3 3.62Å; R117-W190 HydrophobicContact CB-CG 4.17Å; R117-W190 HydrophobicContact CB-CH2 4.21Å; R117-W190 HydrophobicContact CB-CZ2 4.27Å; R117-W190 HydrophobicContact CB-CZ3 3.91Å; R117-G238 CarbonylContact O-C 3.48Å; R117-G238 WeakPolarHBondContact O-CA 3.48Å; R117-F239 PolarHBondContact N-O 3.01Å; R117-F239 PolarHBondContact O-N 2.68Å |
| 118 | L | 85 | Confident | 81.7 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.9 | -175.8 | -68.3 | 176.8 | 0 | 0 | 0 | 113.1 | I116 I142 L185 N186 G188 I236 H237 | I116-L118 HydrophobicContact CD1-CD2 3.58Å; I116-L118 HydrophobicContact CD1-CG 3.99Å; I116-L118 HydrophobicContact CG1-CD2 4.1Å; I116-L118 HydrophobicContact CG1-CG 4.25Å; L118-I142 HydrophobicContact CD1-CD1 3.94Å; L118-I142 HydrophobicContact CD1-CG1 4.06Å; L118-I142 HydrophobicContact CD2-CD1 4.34Å; L118-L185 WeakPolarHBondContact CB-O 3.36Å; L118-L185 HydrophobicContact CD1-CB 4.3Å; L118-N186 HydrophobicContact CB-CB 4.3Å; L118-N186 HydrophobicContact CD1-CB 4.48Å; L118-G188 VanDerWaalsContact O-CA 3.27Å; L118-G188 WeakPolarHBondContact O-CA 3.26Å; L118-G188 PolarHBondContact O-N 2.88Å; L118-I236 HydrophobicContact CD2-CG2 3.97Å; L118-H237 WeakPolarHBondContact CA-O 3.33Å |
| 119 | E | 79.4 | Confident | 82.5 | Confident | 106 Ų | 106 | 35 Ų | 35 | 50% | 0.495 | 17% | 0.168 | S | C | . | . | trans | -67.8 | 150.9 | 168.6 | -65.7 | -177.5 | 154.9 | 0 | 0 | 112.2 | H237 | E119-H237 HydrophobicContact CB-CB 4.17Å; E119-H237 HydrophobicContact CG-CB 4.2Å; E119-H237 PolarHBondContact N-O 2.83Å; E119-H237 WeakPolarHBondContact OE2-CB 3.48Å; E119-H237 IonicContact OE2-CG 3.67Å; E119-H237 IonicContact OE2-ND1 2.82Å; E119-H237 PolarHBondContact OE2-ND1 2.95Å | ||
| 120 | L | 71.7 | Confident | 82.8 | Confident | 121 Ų | 121 | 35.2 Ų | 35.2 | 63% | 0.634 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 137.5 | -176.3 | -67.1 | 170.1 | 0 | 0 | 0 | 113 | L122 N186 D187 | L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 3.06Å; L120-N186 WeakPolarHBondContact CA-O 3.29Å; L120-N186 WeakPolarHBondContact CD2-O 2.96Å; L120-D187 WeakPolarHBondContact CD2-O 3.42Å |
| 121 | N | 60.5 | Low | 82.5 | Confident | 124 Ų | 124 | 36 Ų | 36 | 66% | 0.663 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 22.2 | 172.1 | -63.3 | -30.5 | 0 | 0 | 0 | 117 | R184 N186 | N121-R184 PolarHBondContact OD1-NH2 2.67Å; N121-N186 WeakPolarHBondContact CA-ND2 3.49Å |
| 122 | L | 66.6 | Low | 82 | Confident | 32 Ų | 32 | 43 Ų | 43 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | trans | -88.9 | 144.9 | 171.4 | -154.6 | 102 | 0 | 0 | 0 | 111.9 | L120 K124 G143 N186 H237 | L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 3.06Å; L122-K124 HydrophobicContact CD2-CB 4.17Å; L122-K124 HydrophobicContact CD2-CG 3.34Å; L122-K124 HydrophobicContact CG-CG 4.18Å; L122-G143 WeakPolarHBondContact O-CA 2.97Å; L122-N186 PolarHBondContact N-ND2 3.26Å; L122-N186 PolarHBondContact O-ND2 2.77Å; L122-H237 HydrophobicContact CD1-CB 3.82Å; L122-H237 HydrophobicContact CD2-CB 3.74Å; L122-H237 HydrophobicContact CG-CB 4.31Å | ||
| 123 | E | 73.5 | Confident | 81.4 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | trans | -130.2 | 129 | 166.9 | -174.5 | 174.1 | -158.1 | 0 | 0 | 109.5 | I141 I142 Q147 | E123-I141 HydrophobicContact CG-CG2 3.64Å; E123-I142 CarbonylContact C-O 3.58Å; E123-I142 WeakPolarHBondContact CA-O 3.44Å; E123-Q147 PolarHBondContact OE1-NE2 2.02Å | ||
| 124 | K | 77.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.9 | -169.9 | -86.2 | -69.7 | -172.9 | 151.3 | 0 | 114 | L122 F126 I141 I142 D234 | L122-K124 HydrophobicContact CD2-CB 4.17Å; L122-K124 HydrophobicContact CD2-CG 3.34Å; L122-K124 HydrophobicContact CG-CG 4.18Å; K124-F126 PolarHBondContact O-N 3.23Å; K124-I141 CarbonylContact O-C 3.58Å; K124-I141 VanDerWaalsContact O-CA 3.3Å; K124-I141 WeakPolarHBondContact O-CA 3.32Å; K124-I141 WeakPolarHBondContact O-CG2 3.41Å; K124-I142 PolarHBondContact N-O 3.43Å; K124-I142 PolarHBondContact O-N 2.99Å; K124-D234 PolarHBondContact NZ-O 3.02Å |
| 125 | E | 84.5 | Confident | 79.9 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.1 | 168.5 | -65.6 | 178.2 | -137.8 | 0 | 0 | 110.4 | R139 I141 K233 | E125-R139 IonicContact OE1-CZ 3.4Å; E125-R139 IonicContact OE1-NH2 3.18Å; E125-R139 PolarHBondContact OE1-NH2 3.44Å; E125-R139 IonicContact OE2-CZ 3.8Å; E125-R139 IonicContact OE2-NE 3.47Å; E125-R139 PolarHBondContact OE2-NE 2.92Å; E125-R139 VanDerWaalsContact OE2-NE 3.14Å; E125-R139 IonicContact OE2-NH2 3.64Å; E125-R139 PolarHBondContact OE2-NH2 3.46Å; E125-I141 HydrophobicContact CG-CG1 4.37Å; E125-K233 HydrophobicContact CB-CB 4.16Å; E125-K233 HydrophobicContact CB-CD 3.99Å; E125-K233 VanDerWaalsContact CD-CD 3.46Å; E125-K233 HydrophobicContact CG-CD 4.31Å; E125-K233 PolarHBondContact O-N 2.86Å; E125-K233 IonicContact OE1-NZ 3.62Å; E125-K233 PolarHBondContact OE1-NZ 2.92Å; E125-K233 WeakPolarHBondContact OE2-CD 3.12Å; E125-K233 IonicContact OE2-NZ 2.85Å; E125-K233 PolarHBondContact OE2-NZ 3Å |
| 126 | F | 86.4 | Confident | 79.4 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -42.6 | -175.8 | -177.2 | -106.6 | 0 | 0 | 0 | 112.9 | F114 I116 K124 I140 I142 L232 I236 I240 F243 | F114-F126 HydrophobicContact CB-CE1 4.3Å; F114-F126 HydrophobicContact CB-CZ 3.9Å; F114-F126 AromaticContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CZ 4.01Å; F114-F126 HydrophobicContact CD2-CE1 4.19Å; F114-F126 HydrophobicContact CD2-CE2 4.44Å; F114-F126 AromaticContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CE1-CD1 4.37Å; F114-F126 AromaticContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CZ 4.49Å; F114-F126 HydrophobicContact CE2-CE1 4.42Å; F114-F126 HydrophobicContact CE2-CZ 4.32Å; F114-F126 AromaticContact CG-CE1 3.79Å; F114-F126 HydrophobicContact CG-CE1 3.79Å; F114-F126 AromaticContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CZ-CE1 4.27Å; I116-F126 HydrophobicContact CD1-CD2 4.45Å; I116-F126 HydrophobicContact CD1-CE2 3.99Å; K124-F126 PolarHBondContact O-N 3.23Å; F126-I140 PolarHBondContact N-O 3.17Å; F126-I142 HydrophobicContact CB-CD1 3.91Å; F126-I142 HydrophobicContact CB-CG1 4.08Å; F126-I142 HydrophobicContact CB-CG2 4.12Å; F126-I142 HydrophobicContact CD2-CD1 3.44Å; F126-I142 VanDerWaalsContact CD2-CD1 3.44Å; F126-I142 HydrophobicContact CD2-CG1 4.47Å; F126-I142 HydrophobicContact CE2-CD1 4.14Å; F126-I142 HydrophobicContact CG-CD1 3.85Å; F126-I142 HydrophobicContact CG-CG2 4.48Å; F126-L232 HydrophobicContact CD2-CD2 3.53Å; F126-L232 HydrophobicContact CE2-CD2 3.39Å; F126-L232 HydrophobicContact CG-CD2 4.41Å; F126-L232 HydrophobicContact CZ-CD2 4.15Å; F126-L232 PolarHBondContact O-N 2.93Å; F126-I236 HydrophobicContact CE2-CD1 4.12Å; F126-I240 HydrophobicContact CE2-CD1 3.83Å; F126-I240 HydrophobicContact CZ-CD1 3.8Å; F126-F243 HydrophobicContact CD1-CE1 4.5Å; F126-F243 HydrophobicContact CD1-CZ 4.32Å; F126-F243 HydrophobicContact CE1-CD1 4.24Å; F126-F243 HydrophobicContact CE1-CD2 4.41Å; F126-F243 AromaticContact CE1-CE1 3.73Å; F126-F243 HydrophobicContact CE1-CE1 3.73Å; F126-F243 AromaticContact CE1-CE2 3.97Å; F126-F243 HydrophobicContact CE1-CE2 3.97Å; F126-F243 AromaticContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CZ-CD1 4.02Å; F126-F243 AromaticContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CG 4.35Å; F126-F243 HydrophobicContact CZ-CZ 4.21Å |
| 127 | F | 88.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.9 | -174.7 | 174.7 | -92.1 | 0 | 0 | 0 | 109.7 | I112 L129 L138 R139 I140 I229 Q230 V231 F243 L245 | I112-F127 HydrophobicContact CD1-CD1 3.95Å; I112-F127 HydrophobicContact CD1-CE1 3.82Å; I112-F127 HydrophobicContact CD1-CG 4.42Å; I112-F127 HydrophobicContact CD1-CZ 4.17Å; F127-L129 HydrophobicContact CE1-CB 4.08Å; F127-L129 HydrophobicContact CZ-CB 4.37Å; F127-L138 HydrophobicContact CE1-CD2 4.37Å; F127-R139 CarbonylContact O-C 3.51Å; F127-R139 WeakPolarHBondContact O-CA 3.2Å; F127-I140 HydrophobicContact CB-CB 4.26Å; F127-I140 HydrophobicContact CB-CG1 4.39Å; F127-I140 HydrophobicContact CD1-CG1 4.28Å; F127-I140 PolarHBondContact N-O 3.21Å; F127-I140 PolarHBondContact O-N 2.92Å; F127-I229 HydrophobicContact CD2-CG2 3.85Å; F127-I229 HydrophobicContact CE2-CD1 4.32Å; F127-I229 HydrophobicContact CE2-CG2 3.28Å; F127-I229 HydrophobicContact CZ-CD1 4.29Å; F127-I229 HydrophobicContact CZ-CG2 3.83Å; F127-Q230 CarbonylContact C-O 3.52Å; F127-Q230 WeakPolarHBondContact CA-O 3.41Å; F127-V231 HydrophobicContact CD2-CG2 4.42Å; F127-F243 AromaticContact CD2-CZ 3.91Å; F127-F243 HydrophobicContact CD2-CZ 3.91Å; F127-L245 HydrophobicContact CE2-CD1 3.88Å; F127-L245 HydrophobicContact CE2-CD2 4.05Å; F127-L245 HydrophobicContact CZ-CD1 4.4Å; F127-L245 HydrophobicContact CZ-CD2 4.4Å |
| 128 | T | 87.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 131.6 | 171.2 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | Y130 M136 L138 R139 I229 Q230 | T128-Y130 HydrophobicContact CG2-CD2 4.09Å; T128-Y130 HydrophobicContact CG2-CE1 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.5Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.45Å; T128-M136 HydrophobicContact CG2-CB 4.47Å; T128-M136 HydrophobicContact CG2-CG 3.57Å; T128-L138 WeakPolarHBondContact CA-O 3.45Å; T128-R139 HydrophobicContact CG2-CB 4.17Å; T128-R139 WeakPolarHBondContact OG1-CG 3.36Å; T128-I229 WeakPolarHBondContact O-CA 3.18Å; T128-Q230 PolarHBondContact N-O 3.45Å; T128-Q230 PolarHBondContact O-N 2.91Å |
| 129 | L | 83.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.2 | 177.9 | 178.8 | 62.8 | 0 | 0 | 0 | 110.1 | F106 F127 I137 L138 I223 I229 | F106-L129 HydrophobicContact CD1-CD2 4.03Å; F106-L129 HydrophobicContact CE1-CD2 3.74Å; F106-L129 HydrophobicContact CE2-CD1 4.2Å; F106-L129 HydrophobicContact CE2-CD2 4.48Å; F106-L129 HydrophobicContact CG-CD2 4.49Å; F106-L129 HydrophobicContact CZ-CD1 4.35Å; F106-L129 HydrophobicContact CZ-CD2 4Å; F127-L129 HydrophobicContact CE1-CB 4.08Å; F127-L129 HydrophobicContact CZ-CB 4.37Å; L129-I137 HydrophobicContact CG-CD1 4.39Å; L129-I137 PolarHBondContact O-N 3.3Å; L129-L138 HydrophobicContact CB-CB 4.36Å; L129-L138 PolarHBondContact N-O 3.39Å; L129-I223 HydrophobicContact CD2-CD1 4.03Å; L129-I223 HydrophobicContact CD2-CG2 4.34Å; L129-I229 HydrophobicContact CD1-CD1 3.96Å; L129-I229 HydrophobicContact CD1-CG1 3.8Å |
| 130 | Y | 82.4 | Confident | 79.2 | Confident | 49 Ų | 49 | 52 Ų | 52 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.1 | 178.2 | -60.6 | -87.1 | 0 | 0 | 0 | 111.3 | T128 G134 R135 M136 G227 R228 Q230 | T128-Y130 HydrophobicContact CG2-CD2 4.09Å; T128-Y130 HydrophobicContact CG2-CE1 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.5Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.45Å; Y130-G134 WeakPolarHBondContact CD1-O 3.11Å; Y130-R135 CarbonylContact C-O 3.53Å; Y130-R135 WeakPolarHBondContact CA-O 3.14Å; Y130-M136 HydrophobicContact CD1-CB 4.16Å; Y130-M136 HydrophobicContact CE1-CB 4.09Å; Y130-G227 CarbonylContact O-C 3.27Å; Y130-G227 WeakPolarHBondContact O-CA 3.2Å; Y130-R228 WeakPolarHBondContact CB-O 3.41Å; Y130-R228 PolarHBondContact N-O 3.42Å; Y130-R228 PolarHBondContact O-N 2.85Å; Y130-R228 VanDerWaalsContact O-N 3.09Å; Y130-Q230 HydrophobicContact CE2-CB 3.96Å; Y130-Q230 PolarHBondContact OH-OE1 2.89Å |
| 131 | D | 76.5 | Confident | 80 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -71.5 | 171.9 | 171 | 89.2 | -20.4 | 0 | 0 | 0 | 112.3 | H133 G134 R135 I137 | D131-H133 PolarHBondContact O-N 2.71Å; D131-H133 VanDerWaalsContact OD1-C 3.28Å; D131-H133 VanDerWaalsContact OD1-CA 3.28Å; D131-H133 WeakPolarHBondContact OD1-CA 3.02Å; D131-H133 WeakPolarHBondContact OD1-CB 3.47Å; D131-H133 IonicContact OD1-CG 3.03Å; D131-H133 PolarHBondContact OD1-N 3.42Å; D131-H133 IonicContact OD1-ND1 3.54Å; D131-H133 IonicContact OD2-CE1 3.3Å; D131-H133 IonicContact OD2-CG 2.64Å; D131-H133 IonicContact OD2-ND1 2.92Å; D131-H133 PolarHBondContact OD2-ND1 3.12Å; D131-G134 PolarHBondContact O-N 3.42Å; D131-G134 PolarHBondContact OD1-N 3.45Å; D131-G134 VanDerWaalsContact OD1-N 3.12Å; D131-R135 PolarHBondContact N-O 2.61Å; D131-R135 WeakPolarHBondContact OD1-CB 3.26Å; D131-R135 PolarHBondContact OD1-N 3.41Å; D131-R135 IonicContact OD1-NE 2.93Å; D131-R135 IonicContact OD2-CZ 3.41Å; D131-R135 VanDerWaalsContact OD2-CZ 3.22Å; D131-R135 IonicContact OD2-NE 3.71Å; D131-R135 PolarHBondContact OD2-NE 2.84Å; D131-R135 IonicContact OD2-NH2 2.61Å; D131-R135 PolarHBondContact OD2-NH2 2.83Å; D131-I137 HydrophobicContact CB-CD1 3.76Å; D131-I137 HydrophobicContact CB-CG1 4.07Å | ||
| 132 | R | 74.7 | Confident | 81.3 | Confident | 146 Ų | 146 | 41.4 Ų | 41.4 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -7.1 | 177 | 68 | 142.5 | -177.2 | -105.4 | 4.4 | 115.4 | D224 R226 | R132-D224 HydrophobicContact CB-CB 4.37Å; R132-D224 WeakPolarHBondContact CD-OD2 3.4Å; R132-D224 HydrophobicContact CG-CB 4.16Å; R132-D224 VanDerWaalsContact CG-OD2 3.24Å; R132-D224 WeakPolarHBondContact CG-OD2 3.15Å; R132-D224 IonicContact CZ-OD2 3.05Å; R132-D224 IonicContact NE-OD2 2.65Å; R132-D224 IonicContact NH1-OD2 3.23Å; R132-D224 PolarHBondContact NH1-OD2 3.12Å; R132-R226 HydrophobicContact CB-CB 4Å |
| 133 | H | 77 | Confident | 82 | Confident | 110 Ų | 110 | 39.9 Ų | 39.9 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 8.7 | 176.2 | -40.2 | 96 | 0 | 0 | 0 | 112 | D131 R135 | D131-H133 PolarHBondContact O-N 2.71Å; D131-H133 VanDerWaalsContact OD1-C 3.28Å; D131-H133 VanDerWaalsContact OD1-CA 3.28Å; D131-H133 WeakPolarHBondContact OD1-CA 3.02Å; D131-H133 WeakPolarHBondContact OD1-CB 3.47Å; D131-H133 IonicContact OD1-CG 3.03Å; D131-H133 PolarHBondContact OD1-N 3.42Å; D131-H133 IonicContact OD1-ND1 3.54Å; D131-H133 IonicContact OD2-CE1 3.3Å; D131-H133 IonicContact OD2-CG 2.64Å; D131-H133 IonicContact OD2-ND1 2.92Å; D131-H133 PolarHBondContact OD2-ND1 3.12Å; H133-R135 PolarHBondContact ND1-NH2 2.98Å |
| 134 | G | 73.5 | Confident | 82.3 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 77.9 | 14.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y130 D131 | Y130-G134 WeakPolarHBondContact CD1-O 3.11Å; D131-G134 PolarHBondContact O-N 3.42Å; D131-G134 PolarHBondContact OD1-N 3.45Å; D131-G134 VanDerWaalsContact OD1-N 3.12Å |
| 135 | R | 77 | Confident | 82.6 | Confident | 147 Ų | 147 | 38.5 Ų | 38.5 | 56% | 0.555 | 18% | 0.183 | S | C | * | . | trans | -87.3 | 128.7 | 178.4 | -58.8 | 179.3 | -65.7 | -170.6 | 4.3 | 110.1 | Y130 D131 H133 I137 | Y130-R135 CarbonylContact C-O 3.53Å; Y130-R135 WeakPolarHBondContact CA-O 3.14Å; D131-R135 PolarHBondContact N-O 2.61Å; D131-R135 WeakPolarHBondContact OD1-CB 3.26Å; D131-R135 PolarHBondContact OD1-N 3.41Å; D131-R135 IonicContact OD1-NE 2.93Å; D131-R135 IonicContact OD2-CZ 3.41Å; D131-R135 VanDerWaalsContact OD2-CZ 3.22Å; D131-R135 IonicContact OD2-NE 3.71Å; D131-R135 PolarHBondContact OD2-NE 2.84Å; D131-R135 IonicContact OD2-NH2 2.61Å; D131-R135 PolarHBondContact OD2-NH2 2.83Å; H133-R135 PolarHBondContact ND1-NH2 2.98Å; R135-I137 PolarHBondContact O-N 2.83Å | ||
| 136 | M | 81.7 | Confident | 82.8 | Confident | 32 Ų | 32 | 36.5 Ų | 36.5 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.5 | 176.2 | -173.1 | -86.6 | -83.4 | 0 | 0 | 110.5 | T128 Y130 L138 R139 E149 L176 | T128-M136 HydrophobicContact CG2-CB 4.47Å; T128-M136 HydrophobicContact CG2-CG 3.57Å; Y130-M136 HydrophobicContact CD1-CB 4.16Å; Y130-M136 HydrophobicContact CE1-CB 4.09Å; M136-L138 PolarHBondContact SD-N 2.96Å; M136-L138 VanDerWaalsContact SD-N 3.41Å; M136-R139 HydrophobicContact CE-CB 4.18Å; M136-R139 HydrophobicContact CG-CB 4.37Å; M136-R139 HydrophobicContact SD-CB 4.09Å; M136-E149 HydrophobicContact CE-CB 3.91Å; M136-L176 HydrophobicContact CE-CD1 3.8Å; M136-L176 HydrophobicContact CE-CD2 3.69Å; M136-L176 HydrophobicContact CE-CG 4.33Å; M136-L176 HydrophobicContact SD-CD2 4.24Å |
| 137 | I | 79.4 | Confident | 82.9 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -42.1 | 179 | -50.2 | -179.6 | 0 | 0 | 0 | 110.5 | L129 D131 R135 L151 I223 | L129-I137 HydrophobicContact CG-CD1 4.39Å; L129-I137 PolarHBondContact O-N 3.3Å; D131-I137 HydrophobicContact CB-CD1 3.76Å; D131-I137 HydrophobicContact CB-CG1 4.07Å; R135-I137 PolarHBondContact O-N 2.83Å; I137-L151 PolarHBondContact O-N 2.91Å; I137-I223 HydrophobicContact CD1-CB 4.35Å; I137-I223 HydrophobicContact CD1-CD1 4.49Å; I137-I223 HydrophobicContact CD1-CG1 4.05Å; I137-I223 HydrophobicContact CD1-CG2 3.67Å; I137-I223 HydrophobicContact CG2-CD1 4.15Å; I137-I223 HydrophobicContact CG2-CG1 4.34Å |
| 138 | L | 83.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 136.7 | -175.7 | 175.3 | 67.1 | 0 | 0 | 0 | 109 | F127 T128 L129 M136 E149 I197 | F127-L138 HydrophobicContact CE1-CD2 4.37Å; T128-L138 WeakPolarHBondContact CA-O 3.45Å; L129-L138 HydrophobicContact CB-CB 4.36Å; L129-L138 PolarHBondContact N-O 3.39Å; M136-L138 PolarHBondContact SD-N 2.96Å; M136-L138 VanDerWaalsContact SD-N 3.41Å; L138-E149 CarbonylContact C-O 3.56Å; L138-E149 WeakPolarHBondContact CA-O 3.46Å; L138-I197 HydrophobicContact CD1-CD1 4.49Å; L138-I197 HydrophobicContact CD2-CD1 3.85Å; L138-I197 HydrophobicContact CD2-CG2 4.19Å |
| 139 | R | 88.1 | Confident | 82.9 | Confident | 47 Ų | 47 | 38 Ų | 38 | 18% | 0.177 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.1 | 171.4 | 166.6 | -169.6 | -83.8 | 172 | -16.4 | 110 | E125 F127 T128 M136 I141 L148 E149 | E125-R139 IonicContact OE1-CZ 3.4Å; E125-R139 IonicContact OE1-NH2 3.18Å; E125-R139 PolarHBondContact OE1-NH2 3.44Å; E125-R139 IonicContact OE2-CZ 3.8Å; E125-R139 IonicContact OE2-NE 3.47Å; E125-R139 PolarHBondContact OE2-NE 2.92Å; E125-R139 VanDerWaalsContact OE2-NE 3.14Å; E125-R139 IonicContact OE2-NH2 3.64Å; E125-R139 PolarHBondContact OE2-NH2 3.46Å; F127-R139 CarbonylContact O-C 3.51Å; F127-R139 WeakPolarHBondContact O-CA 3.2Å; T128-R139 HydrophobicContact CG2-CB 4.17Å; T128-R139 WeakPolarHBondContact OG1-CG 3.36Å; M136-R139 HydrophobicContact CE-CB 4.18Å; M136-R139 HydrophobicContact CG-CB 4.37Å; M136-R139 HydrophobicContact SD-CB 4.09Å; R139-I141 HydrophobicContact CG-CG1 4.08Å; R139-L148 CarbonylContact O-C 3.48Å; R139-L148 WeakPolarHBondContact O-CA 3.32Å; R139-E149 HydrophobicContact CB-CB 4.29Å; R139-E149 VanDerWaalsContact CD-OE2 3.26Å; R139-E149 WeakPolarHBondContact CD-OE2 3.44Å; R139-E149 IonicContact CZ-OE2 3.56Å; R139-E149 PolarHBondContact N-O 3Å; R139-E149 IonicContact NE-OE2 2.99Å; R139-E149 IonicContact NH1-OE2 2.64Å; R139-E149 PolarHBondContact NH1-OE2 2.81Å; R139-E149 PolarHBondContact O-N 3.16Å |
| 140 | I | 89.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.9 | 168.9 | -51.7 | -160.3 | 0 | 0 | 0 | 109.9 | I112 F126 F127 I142 L146 Q147 L148 I197 | I112-I140 HydrophobicContact CD1-CD1 3.72Å; I112-I140 HydrophobicContact CG2-CD1 4.34Å; F126-I140 PolarHBondContact N-O 3.17Å; F127-I140 HydrophobicContact CB-CB 4.26Å; F127-I140 HydrophobicContact CB-CG1 4.39Å; F127-I140 HydrophobicContact CD1-CG1 4.28Å; F127-I140 PolarHBondContact N-O 3.21Å; F127-I140 PolarHBondContact O-N 2.92Å; I140-I142 HydrophobicContact CG2-CG2 4.09Å; I140-L146 HydrophobicContact CG2-CD2 4.13Å; I140-L146 HydrophobicContact CG2-CG 4.22Å; I140-Q147 WeakPolarHBondContact CA-O 3.41Å; I140-L148 HydrophobicContact CB-CD2 4.34Å; I140-L148 HydrophobicContact CD1-CD2 3.59Å; I140-L148 HydrophobicContact CG1-CD2 3.55Å; I140-L148 HydrophobicContact CG2-CD2 4.3Å; I140-I197 HydrophobicContact CD1-CD1 4.07Å |
| 141 | I | 88.9 | Confident | 82.6 | Confident | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.7 | 171.7 | -51.1 | 178.4 | 0 | 0 | 0 | 107.3 | E123 K124 E125 R139 L146 Q147 E149 | E123-I141 HydrophobicContact CG-CG2 3.64Å; K124-I141 CarbonylContact O-C 3.58Å; K124-I141 VanDerWaalsContact O-CA 3.3Å; K124-I141 WeakPolarHBondContact O-CA 3.32Å; K124-I141 WeakPolarHBondContact O-CG2 3.41Å; E125-I141 HydrophobicContact CG-CG1 4.37Å; R139-I141 HydrophobicContact CG-CG1 4.08Å; I141-L146 CarbonylContact O-C 3.54Å; I141-L146 WeakPolarHBondContact O-CA 3.38Å; I141-Q147 HydrophobicContact CB-CB 4.18Å; I141-Q147 HydrophobicContact CB-CG 4.48Å; I141-Q147 PolarHBondContact N-O 2.84Å; I141-Q147 PolarHBondContact O-N 2.84Å; I141-E149 HydrophobicContact CD1-CG 4.35Å |
| 142 | I | 87 | Confident | 82.2 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.6 | 178.2 | 64.5 | -177.2 | 0 | 0 | 0 | 110.4 | F114 I116 L118 E123 K124 F126 I140 L146 | F114-I142 HydrophobicContact CZ-CG2 4.33Å; I116-I142 HydrophobicContact CD1-CD1 3.69Å; L118-I142 HydrophobicContact CD1-CD1 3.94Å; L118-I142 HydrophobicContact CD1-CG1 4.06Å; L118-I142 HydrophobicContact CD2-CD1 4.34Å; E123-I142 CarbonylContact C-O 3.58Å; E123-I142 WeakPolarHBondContact CA-O 3.44Å; K124-I142 PolarHBondContact N-O 3.43Å; K124-I142 PolarHBondContact O-N 2.99Å; F126-I142 HydrophobicContact CB-CD1 3.91Å; F126-I142 HydrophobicContact CB-CG1 4.08Å; F126-I142 HydrophobicContact CB-CG2 4.12Å; F126-I142 HydrophobicContact CD2-CD1 3.44Å; F126-I142 VanDerWaalsContact CD2-CD1 3.44Å; F126-I142 HydrophobicContact CD2-CG1 4.47Å; F126-I142 HydrophobicContact CE2-CD1 4.14Å; F126-I142 HydrophobicContact CG-CD1 3.85Å; F126-I142 HydrophobicContact CG-CG2 4.48Å; I140-I142 HydrophobicContact CG2-CG2 4.09Å; I142-L146 HydrophobicContact CG2-CD1 4.07Å; I142-L146 HydrophobicContact CG2-CG 4.17Å |
| 143 | G | 81.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 173 | -123 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 H145 L185 N186 | L122-G143 WeakPolarHBondContact O-CA 2.97Å; G143-H145 PolarHBondContact N-O 3.38Å; G143-H145 VanDerWaalsContact N-O 3.16Å; G143-H145 PolarHBondContact O-N 2.93Å; G143-L185 PolarHBondContact O-N 3.13Å; G143-N186 VanDerWaalsContact C-CG 3.48Å; G143-N186 VanDerWaalsContact C-ND2 3.28Å |
| 144 | S | 79.5 | Confident | 80.4 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -62.6 | -28.1 | 171.2 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | R184 N186 | S144-R184 WeakPolarHBondContact O-CA 3.44Å; S144-N186 PolarHBondContact N-ND2 2.84Å; S144-N186 VanDerWaalsContact N-ND2 3.16Å |
| 145 | H | 85.5 | Confident | 78.6 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 37% | 0.366 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -138.3 | 155.9 | 176.1 | -59.6 | -45.9 | 0 | 0 | 0 | 108.9 | G143 I180 F181 K182 | G143-H145 PolarHBondContact N-O 3.38Å; G143-H145 VanDerWaalsContact N-O 3.16Å; G143-H145 PolarHBondContact O-N 2.93Å; H145-I180 HydrophobicContact CB-CG2 3.88Å; H145-F181 WeakPolarHBondContact CB-O 3.26Å; H145-K182 PolarHBondContact ND1-O 3.47Å |
| 146 | L | 88 | Confident | 76.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.3 | 169.1 | -171.5 | 153.7 | 0 | 0 | 0 | 108.6 | F114 I140 I141 I142 L148 F181 L185 V193 V195 L204 | F114-L146 HydrophobicContact CZ-CD1 4.22Å; I140-L146 HydrophobicContact CG2-CD2 4.13Å; I140-L146 HydrophobicContact CG2-CG 4.22Å; I141-L146 CarbonylContact O-C 3.54Å; I141-L146 WeakPolarHBondContact O-CA 3.38Å; I142-L146 HydrophobicContact CG2-CD1 4.07Å; I142-L146 HydrophobicContact CG2-CG 4.17Å; L146-L148 HydrophobicContact CD2-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CG 4.46Å; L146-F181 HydrophobicContact CB-CB 4.27Å; L146-F181 HydrophobicContact CB-CD2 4.46Å; L146-F181 HydrophobicContact CD2-CD2 3.55Å; L146-F181 HydrophobicContact CD2-CE2 3.99Å; L146-F181 PolarHBondContact N-O 2.93Å; L146-F181 VanDerWaalsContact N-O 3.16Å; L146-F181 PolarHBondContact O-N 2.9Å; L146-L185 HydrophobicContact CD1-CD1 3.88Å; L146-V193 HydrophobicContact CD1-CG1 4.25Å; L146-V195 HydrophobicContact CD1-CG2 4.19Å; L146-V195 HydrophobicContact CD2-CG2 4.44Å; L146-L204 HydrophobicContact CD1-CD1 4.18Å |
| 147 | Q | 89.5 | Confident | 73.7 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.5 | -177.1 | -40.9 | -172.2 | 16.4 | 0 | 0 | 111.2 | E123 I140 I141 A179 I180 | E123-Q147 PolarHBondContact OE1-NE2 2.02Å; I140-Q147 WeakPolarHBondContact CA-O 3.41Å; I141-Q147 HydrophobicContact CB-CB 4.18Å; I141-Q147 HydrophobicContact CB-CG 4.48Å; I141-Q147 PolarHBondContact N-O 2.84Å; I141-Q147 PolarHBondContact O-N 2.84Å; Q147-A179 CarbonylContact C-O 3.42Å; Q147-A179 WeakPolarHBondContact CA-O 3.5Å; Q147-I180 HydrophobicContact CB-CG1 4.44Å; Q147-I180 HydrophobicContact CG-CG1 4.23Å; Q147-I180 HydrophobicContact CG-CG2 4.38Å |
| 148 | L | 87.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.9 | 167.9 | -56.6 | -179.1 | 0 | 0 | 0 | 109 | R139 I140 L146 K178 A179 F181 V195 I197 A202 | R139-L148 CarbonylContact O-C 3.48Å; R139-L148 WeakPolarHBondContact O-CA 3.32Å; I140-L148 HydrophobicContact CB-CD2 4.34Å; I140-L148 HydrophobicContact CD1-CD2 3.59Å; I140-L148 HydrophobicContact CG1-CD2 3.55Å; I140-L148 HydrophobicContact CG2-CD2 4.3Å; L146-L148 HydrophobicContact CD2-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CG 4.46Å; L148-K178 CarbonylContact O-C 3.07Å; L148-K178 WeakPolarHBondContact O-CA 3.19Å; L148-A179 HydrophobicContact CB-CB 4.32Å; L148-A179 PolarHBondContact N-O 3.3Å; L148-A179 PolarHBondContact O-N 2.83Å; L148-F181 HydrophobicContact CD1-CE2 3.82Å; L148-F181 HydrophobicContact CD1-CZ 4.46Å; L148-F181 HydrophobicContact CG-CE2 4.05Å; L148-V195 HydrophobicContact CD1-CG1 4.4Å; L148-V195 HydrophobicContact CD2-CG1 4.48Å; L148-I197 HydrophobicContact CD2-CD1 4.29Å; L148-A202 HydrophobicContact CD1-CB 3.79Å |
| 149 | E | 86.9 | Confident | 68.7 | Low | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.4 | 168 | -50.8 | -169.2 | 136.9 | 0 | 0 | 109.1 | M136 L138 R139 I141 E177 K178 | M136-E149 HydrophobicContact CE-CB 3.91Å; L138-E149 CarbonylContact C-O 3.56Å; L138-E149 WeakPolarHBondContact CA-O 3.46Å; R139-E149 HydrophobicContact CB-CB 4.29Å; R139-E149 VanDerWaalsContact CD-OE2 3.26Å; R139-E149 WeakPolarHBondContact CD-OE2 3.44Å; R139-E149 IonicContact CZ-OE2 3.56Å; R139-E149 PolarHBondContact N-O 3Å; R139-E149 IonicContact NE-OE2 2.99Å; R139-E149 IonicContact NH1-OE2 2.64Å; R139-E149 PolarHBondContact NH1-OE2 2.81Å; R139-E149 PolarHBondContact O-N 3.16Å; I141-E149 HydrophobicContact CD1-CG 4.35Å; E149-E177 WeakPolarHBondContact CA-O 3.18Å; E149-K178 HydrophobicContact CG-CD 4.25Å; E149-K178 HydrophobicContact CG-CG 4.23Å; E149-K178 WeakPolarHBondContact OE1-CE 3.35Å; E149-K178 IonicContact OE1-NZ 3.35Å; E149-K178 PolarHBondContact OE1-NZ 3.09Å |
| 150 | Y | 82.8 | Confident | 65.9 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.6 | -173.4 | 64.6 | -86.1 | 0 | 0 | 0 | 113.4 | L176 E177 A179 Y216 N217 R218 | Y150-L176 WeakPolarHBondContact O-CA 3.03Å; Y150-E177 HydrophobicContact CD1-CB 4.5Å; Y150-E177 WeakPolarHBondContact CD1-O 3.28Å; Y150-E177 HydrophobicContact CD2-CB 4.37Å; Y150-E177 HydrophobicContact CE1-CB 3.82Å; Y150-E177 HydrophobicContact CE2-CB 3.68Å; Y150-E177 PolarHBondContact N-O 3.05Å; Y150-E177 PolarHBondContact O-N 2.86Å; Y150-E177 WeakPolarHBondContact OH-CB 3.3Å; Y150-E177 PolarHBondContact OH-OE2 2.78Å; Y150-A179 HydrophobicContact CE1-CB 4.15Å; Y150-Y216 AromaticContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CE2 4.11Å; Y150-Y216 AromaticContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CE2 4.21Å; Y150-Y216 AromaticContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CD2 3.5Å; Y150-Y216 VanDerWaalsContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CE2 4.41Å; Y150-Y216 HydrophobicContact CE1-CG 4.22Å; Y150-Y216 AromaticContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CE2 4.48Å; Y150-Y216 AromaticContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CE2 4.01Å; Y150-Y216 AromaticContact CZ-CD2 3.53Å; Y150-Y216 WeakPolarHBondContact OH-CB 3.36Å; Y150-N217 PolarHBondContact OH-N 2.8Å; Y150-R218 HydrophobicContact CD2-CB 4.29Å; Y150-R218 HydrophobicContact CD2-CG 4.43Å |
| 151 | L | 76.6 | Confident | 63.1 | Low | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.3 | 177 | -169.5 | 69.5 | 0 | 0 | 0 | 112.4 | I137 K174 L176 S219 | I137-L151 PolarHBondContact O-N 2.91Å; L151-K174 HydrophobicContact CD1-CB 4.3Å; L151-L176 HydrophobicContact CD1-CD2 4.38Å; L151-S219 PolarHBondContact O-N 3.47Å; L151-S219 PolarHBondContact O-OG 3.25Å |
| 152 | S | 68.7 | Low | 60.2 | Low | 16 Ų | 16 | 81.7 Ų | 81.7 | 11% | 0.112 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 162.8 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 114.8 | T175 E177 N217 | S152-T175 WeakPolarHBondContact CB-O 3.46Å; S152-T175 PolarHBondContact N-O 3.26Å; S152-E177 WeakPolarHBondContact CB-OE1 3.42Å; S152-E177 PolarHBondContact OG-OE1 3.18Å; S152-E177 PolarHBondContact OG-OE2 3.34Å; S152-N217 WeakPolarHBondContact CA-O 3.41Å |
| 153 | R | 60 | Low | 57.3 | Low | 141 Ų | 141 | 87.3 Ų | 87.3 | 53% | 0.532 | 46% | 0.457 | S | S | . | . | trans | -115.1 | 69.7 | -174.3 | -161.9 | -171.9 | -159.3 | -160.4 | 9.3 | 112.5 | N217 S220 | R153-N217 PolarHBondContact N-O 2.9Å; R153-S220 PolarHBondContact NH2-OG 2.89Å | ||
| 154 | E | 54.5 | Low | 54.9 | Low | 148 Ų | 148 | 95 Ų | 95 | 69% | 0.692 | 49% | 0.493 | S | S | * | . | trans | -104.3 | 130.5 | 175.8 | -76.7 | -163 | 132.1 | 0 | 0 | 115.7 | ||||
| 155 | S | 34.4 | Very low | 52.5 | Low | 91 Ų | 91 | 99 Ų | 99 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | trans | 43.3 | 99.2 | 161.5 | 57 | 0 | 0 | 0 | 0 | 120.3 | S157 | S155-S157 PolarHBondContact O-N 2.97Š| ||
| 156 | Q | 30.2 | Very low | 49.8 | Very low | 213 Ų | 213 | 104.9 Ų | 104.9 | 100% | 0.995 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -71 | 66.5 | 150.1 | -70.6 | -179.7 | -37.5 | 0 | 0 | 111 | ||
| 157 | S | 26.6 | Very low | 47 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | trans | -156 | 54 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 116.2 | S155 | S155-S157 PolarHBondContact O-N 2.97Š| ||
| 158 | S | 30.4 | Very low | 44.4 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 60% | 0.595 | S | S | * | * | trans | -147.9 | 100.3 | 152.6 | -23.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 159 | Q | 27 | Very low | 41.6 | Very low | 183 Ų | 183 | 123 Ų | 123 | 86% | 0.855 | 63% | 0.626 | S | S | * | * | trans | -75.6 | 121.2 | 158.7 | -71 | 176.7 | -26.7 | 0 | 0 | 107.9 | ||||
| 160 | L | 30.3 | Very low | 38.9 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 89% | 0.885 | 66% | 0.655 | S | S | * | * | trans | -156.3 | 144.6 | 154 | -108 | 158.2 | 0 | 0 | 0 | 108.9 | ||||
| 161 | F | 30 | Very low | 36.3 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.763 | 69% | 0.692 | S | S | * | * | trans | -90.9 | 160.5 | -155.6 | -75.2 | -113.2 | 0 | 0 | 0 | 113.7 | ||||
| 162 | D | 27.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | 50.4 | 85.5 | 159.4 | -68 | -32.9 | 0 | 0 | 0 | 120.2 | ||||
| 163 | V | 27.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | trans | -141.1 | 137.5 | 146.4 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | D167 | V163-D167 HydrophobicContact CG1-CB 4.49Š| ||
| 164 | H | 29.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | -66.4 | 150.7 | 179 | -132.1 | 5.8 | 0 | 0 | 0 | 112.5 | R166 | H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.12Å | ||
| 165 | P | 29.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 69.3 | -169.8 | 34.6 | -35.7 | 0 | 0 | 0 | 113 | ||
| 166 | R | 29.5 | Very low | 33.9 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.8 | -3.7 | 168.7 | -109.1 | 170 | -163.8 | -160.5 | 0.9 | 116.5 | H164 | H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.12Å |
| 167 | D | 28.3 | Very low | 36.2 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | trans | -105.6 | 0.1 | -170.6 | -79.3 | -27.8 | 0 | 0 | 0 | 117 | V163 K169 K1527 | V163-D167 HydrophobicContact CG1-CB 4.49Å; D167-K169 PolarHBondContact O-N 2.97Å; D167-K1527 WeakPolarHBondContact OD1-CE 3.19Å; D167-K1527 IonicContact OD1-NZ 3.01Å; D167-K1527 PolarHBondContact OD1-NZ 3.4Å; D167-K1527 IonicContact OD2-NZ 2.71Å | ||
| 168 | L | 34.8 | Very low | 39 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | trans | -83.6 | 76.2 | 174.7 | -81.9 | 157.5 | 0 | 0 | 0 | 112.5 | ||||
| 169 | K | 29.1 | Very low | 41.6 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -138.9 | 41.1 | 163.2 | -97.4 | -156.4 | 179.3 | -172.2 | 0 | 113.4 | D167 | D167-K169 PolarHBondContact O-N 2.97Š|
| 170 | T | 29.3 | Very low | 44.5 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -172.6 | 67.1 | 155 | 34.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 171 | Q | 29.6 | Very low | 47.3 | Very low | 174 Ų | 174 | 115.3 Ų | 115.3 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | trans | -160.8 | 139.6 | 153.3 | -114 | 169.3 | 8.5 | 0 | 0 | 109.8 | ||||
| 172 | S | 32.8 | Very low | 49.8 | Very low | 124 Ų | 124 | 115 Ų | 115 | 87% | 0.867 | 60% | 0.602 | S | S | * | * | trans | -62 | 151 | 177.8 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 173 | G | 35.7 | Very low | 52.5 | Low | 71 Ų | 71 | 108.9 Ų | 108.9 | 73% | 0.732 | 57% | 0.569 | S | S | * | * | trans | 160 | 3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 174 | K | 48.7 | Very low | 55.1 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | trans | -135.4 | 87 | 162.6 | -73 | -161.4 | 175.4 | -164.8 | 0 | 109.6 | L151 L176 | L151-K174 HydrophobicContact CD1-CB 4.3Å; K174-L176 PolarHBondContact O-N 3.16Å | ||
| 175 | T | 57.3 | Low | 57.7 | Low | 80 Ų | 80 | 101.7 Ų | 101.7 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | trans | -66.9 | 117.4 | 177.4 | 2.8 | 0 | 0 | 0 | 0 | 109.4 | S152 E177 | S152-T175 WeakPolarHBondContact CB-O 3.46Å; S152-T175 PolarHBondContact N-O 3.26Å; T175-E177 PolarHBondContact O-N 2.99Å | ||
| 176 | L | 68.9 | Low | 60.3 | Low | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.7 | 156.8 | -72.5 | 172.1 | 0 | 0 | 0 | 106.4 | M136 Y150 L151 K174 | M136-L176 HydrophobicContact CE-CD1 3.8Å; M136-L176 HydrophobicContact CE-CD2 3.69Å; M136-L176 HydrophobicContact CE-CG 4.33Å; M136-L176 HydrophobicContact SD-CD2 4.24Å; Y150-L176 WeakPolarHBondContact O-CA 3.03Å; L151-L176 HydrophobicContact CD1-CD2 4.38Å; K174-L176 PolarHBondContact O-N 3.16Å |
| 177 | E | 78.2 | Confident | 62.8 | Low | 55 Ų | 55 | 89.3 Ų | 89.3 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 158.3 | 176.8 | -79.8 | 174.3 | -157.1 | 0 | 0 | 110.1 | E149 Y150 S152 T175 | E149-E177 WeakPolarHBondContact CA-O 3.18Å; Y150-E177 HydrophobicContact CD1-CB 4.5Å; Y150-E177 WeakPolarHBondContact CD1-O 3.28Å; Y150-E177 HydrophobicContact CD2-CB 4.37Å; Y150-E177 HydrophobicContact CE1-CB 3.82Å; Y150-E177 HydrophobicContact CE2-CB 3.68Å; Y150-E177 PolarHBondContact N-O 3.05Å; Y150-E177 PolarHBondContact O-N 2.86Å; Y150-E177 WeakPolarHBondContact OH-CB 3.3Å; Y150-E177 PolarHBondContact OH-OE2 2.78Å; S152-E177 WeakPolarHBondContact CB-OE1 3.42Å; S152-E177 PolarHBondContact OG-OE1 3.18Å; S152-E177 PolarHBondContact OG-OE2 3.34Å; T175-E177 PolarHBondContact O-N 2.99Å |
| 178 | K | 86.3 | Confident | 65.3 | Low | 119 Ų | 119 | 85.7 Ų | 85.7 | 52% | 0.517 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132 | 178.4 | -50.8 | -159.7 | -170.5 | -151.7 | 0 | 110.7 | L148 E149 | L148-K178 CarbonylContact O-C 3.07Å; L148-K178 WeakPolarHBondContact O-CA 3.19Å; E149-K178 HydrophobicContact CG-CD 4.25Å; E149-K178 HydrophobicContact CG-CG 4.23Å; E149-K178 WeakPolarHBondContact OE1-CE 3.35Å; E149-K178 IonicContact OE1-NZ 3.35Å; E149-K178 PolarHBondContact OE1-NZ 3.09Å |
| 179 | A | 84.7 | Confident | 67.7 | Low | 5 Ų | 5 | 83.2 Ų | 83.2 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q147 L148 Y150 I214 | Q147-A179 CarbonylContact C-O 3.42Å; Q147-A179 WeakPolarHBondContact CA-O 3.5Å; L148-A179 HydrophobicContact CB-CB 4.32Å; L148-A179 PolarHBondContact N-O 3.3Å; L148-A179 PolarHBondContact O-N 2.83Å; Y150-A179 HydrophobicContact CE1-CB 4.15Å; A179-I214 HydrophobicContact CB-CD1 4.27Å; A179-I214 HydrophobicContact CB-CG2 3.84Å |
| 180 | I | 87.7 | Confident | 70.5 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.5 | -172.8 | -57.7 | 175.6 | 0 | 0 | 0 | 109.2 | H145 Q147 I214 | H145-I180 HydrophobicContact CB-CG2 3.88Å; Q147-I180 HydrophobicContact CB-CG1 4.44Å; Q147-I180 HydrophobicContact CG-CG1 4.23Å; Q147-I180 HydrophobicContact CG-CG2 4.38Å; I180-I214 VanDerWaalsContact C-CD1 3.4Å; I180-I214 VanDerWaalsContact O-CD1 3.27Å; I180-I214 WeakPolarHBondContact O-CD1 3.32Å |
| 181 | F | 88.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.3 | 167.5 | -60.8 | -82.5 | 0 | 0 | 0 | 109.5 | H145 L146 L148 T183 V195 A202 L204 E212 I214 | H145-F181 WeakPolarHBondContact CB-O 3.26Å; L146-F181 HydrophobicContact CB-CB 4.27Å; L146-F181 HydrophobicContact CB-CD2 4.46Å; L146-F181 HydrophobicContact CD2-CD2 3.55Å; L146-F181 HydrophobicContact CD2-CE2 3.99Å; L146-F181 PolarHBondContact N-O 2.93Å; L146-F181 VanDerWaalsContact N-O 3.16Å; L146-F181 PolarHBondContact O-N 2.9Å; L148-F181 HydrophobicContact CD1-CE2 3.82Å; L148-F181 HydrophobicContact CD1-CZ 4.46Å; L148-F181 HydrophobicContact CG-CE2 4.05Å; F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.97Å; F181-V195 HydrophobicContact CE2-CG1 4.45Å; F181-A202 HydrophobicContact CE2-CB 4.47Å; F181-A202 HydrophobicContact CZ-CB 3.83Å; F181-L204 HydrophobicContact CB-CD2 3.64Å; F181-L204 HydrophobicContact CD1-CB 3.67Å; F181-L204 HydrophobicContact CD1-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CG 4.45Å; F181-L204 HydrophobicContact CD2-CD2 4.4Å; F181-L204 HydrophobicContact CE1-CB 3.58Å; F181-L204 HydrophobicContact CE2-CB 4.48Å; F181-L204 HydrophobicContact CG-CB 4.15Å; F181-L204 HydrophobicContact CG-CD2 3.76Å; F181-L204 HydrophobicContact CZ-CB 4.01Å; F181-E212 VanDerWaalsContact CA-OE2 3.27Å; F181-E212 WeakPolarHBondContact CA-OE2 3.33Å; F181-E212 HydrophobicContact CD1-CB 3.6Å; F181-E212 HydrophobicContact CE1-CB 4.18Å; F181-I214 HydrophobicContact CB-CD1 4.4Å; F181-I214 HydrophobicContact CD1-CD1 3.43Å; F181-I214 VanDerWaalsContact CD1-CD1 3.43Å; F181-I214 HydrophobicContact CD1-CG1 3.81Å; F181-I214 HydrophobicContact CD2-CD1 3.98Å; F181-I214 HydrophobicContact CE1-CB 4.32Å; F181-I214 HydrophobicContact CE1-CD1 3.6Å; F181-I214 HydrophobicContact CE1-CG1 3.64Å; F181-I214 HydrophobicContact CE2-CD1 4.13Å; F181-I214 HydrophobicContact CG-CD1 3.66Å; F181-I214 HydrophobicContact CZ-CD1 3.96Å; F181-I214 HydrophobicContact CZ-CG1 4.22Å |
| 182 | K | 83.8 | Confident | 76.3 | Confident | 168 Ų | 168 | 66.8 Ų | 66.8 | 73% | 0.73 | 35% | 0.351 | S | S | * | . | trans | -74.6 | -17 | -176 | -65.3 | -178.4 | -179.9 | 178.5 | 0 | 113.2 | H145 R184 E212 | H145-K182 PolarHBondContact ND1-O 3.47Å; K182-R184 PolarHBondContact O-N 2.7Å; K182-E212 VanDerWaalsContact N-CD 3.31Å; K182-E212 PolarHBondContact N-OE1 3.45Å; K182-E212 PolarHBondContact N-OE2 3.26Å | ||
| 183 | T | 82.3 | Confident | 79.1 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | trans | -57.5 | 129.6 | -179.3 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | F181 L185 L204 V206 E212 | F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.97Å; T183-L185 HydrophobicContact CG2-CD2 4.3Å; T183-L204 HydrophobicContact CG2-CD2 4.36Å; T183-V206 HydrophobicContact CG2-CG2 3.94Å; T183-E212 WeakPolarHBondContact CB-OE1 3.45Å; T183-E212 PolarHBondContact N-OE1 3.14Å; T183-E212 PolarHBondContact OG1-OE1 3.05Å | ||
| 184 | R | 82.7 | Confident | 81.7 | Confident | 133 Ų | 133 | 57.5 Ų | 57.5 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | trans | -95 | 128.6 | -179.7 | -169.4 | 170.1 | -167.2 | 173.9 | 4.8 | 109.2 | N121 S144 K182 N186 | N121-R184 PolarHBondContact OD1-NH2 2.67Å; S144-R184 WeakPolarHBondContact O-CA 3.44Å; K182-R184 PolarHBondContact O-N 2.7Å; R184-N186 WeakPolarHBondContact CG-OD1 3.33Å; R184-N186 PolarHBondContact NE-OD1 2.91Å | ||
| 185 | L | 84.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -115.6 | 2.5 | 179.9 | -63.3 | 174.7 | 0 | 0 | 0 | 112.7 | L118 G143 L146 T183 H191 V193 V206 | L118-L185 WeakPolarHBondContact CB-O 3.36Å; L118-L185 HydrophobicContact CD1-CB 4.3Å; G143-L185 PolarHBondContact O-N 3.13Å; L146-L185 HydrophobicContact CD1-CD1 3.88Å; T183-L185 HydrophobicContact CG2-CD2 4.3Å; L185-H191 HydrophobicContact CD2-CB 4.02Å; L185-V193 HydrophobicContact CD1-CG2 3.99Å; L185-V193 HydrophobicContact CD2-CG2 3.78Å; L185-V206 HydrophobicContact CD2-CG1 3.96Å; L185-V206 HydrophobicContact CD2-CG2 4.23Å | ||
| 186 | N | 83.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | trans | -108 | 47.4 | -176.7 | 70.2 | -1.2 | 0 | 0 | 0 | 112.8 | L118 L120 N121 L122 G143 S144 R184 | L118-N186 HydrophobicContact CB-CB 4.3Å; L118-N186 HydrophobicContact CD1-CB 4.48Å; L120-N186 WeakPolarHBondContact CA-O 3.29Å; L120-N186 WeakPolarHBondContact CD2-O 2.96Å; N121-N186 WeakPolarHBondContact CA-ND2 3.49Å; L122-N186 PolarHBondContact N-ND2 3.26Å; L122-N186 PolarHBondContact O-ND2 2.77Å; G143-N186 VanDerWaalsContact C-CG 3.48Å; G143-N186 VanDerWaalsContact C-ND2 3.28Å; S144-N186 PolarHBondContact N-ND2 2.84Å; S144-N186 VanDerWaalsContact N-ND2 3.16Å; R184-N186 WeakPolarHBondContact CG-OD1 3.33Å; R184-N186 PolarHBondContact NE-OD1 2.91Å | ||
| 187 | D | 82.7 | Confident | 85.9 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -97.4 | -7.4 | 179.1 | 68.3 | -2.9 | 0 | 0 | 0 | 114 | L120 L189 H191 | L120-D187 WeakPolarHBondContact CD2-O 3.42Å; D187-L189 WeakPolarHBondContact OD1-CB 3.44Å; D187-L189 PolarHBondContact OD1-N 3.04Å; D187-H191 IonicContact OD1-CE1 2.68Å; D187-H191 IonicContact OD1-NE2 3.65Å; D187-H191 PolarHBondContact OD1-NE2 2.84Å; D187-H191 IonicContact OD2-CE1 3.53Å; D187-H191 PolarHBondContact OD2-CE1 2.82Å; D187-H191 IonicContact OD2-NE2 2.69Å; D187-H191 PolarHBondContact OD2-NE2 2.8Å |
| 188 | G | 80.3 | Confident | 86 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 19% | 0.186 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 89.5 | 4.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R117 L118 | R117-G188 PolarHBondContact NE-O 2.83Å; R117-G188 PolarHBondContact NH2-O 2.98Å; R117-G188 VanDerWaalsContact NH2-O 3.13Å; L118-G188 VanDerWaalsContact O-CA 3.27Å; L118-G188 WeakPolarHBondContact O-CA 3.26Å; L118-G188 PolarHBondContact O-N 2.88Å |
| 189 | L | 85.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 36 Ų | 36 | 56% | 0.555 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -100.5 | 169.3 | 178.1 | -57.8 | -178.4 | 0 | 0 | 0 | 112.2 | R117 D187 | R117-L189 VanDerWaalsContact CA-O 3.26Å; R117-L189 WeakPolarHBondContact CA-O 2.98Å; R117-L189 WeakPolarHBondContact CB-O 3.47Å; R117-L189 WeakPolarHBondContact CG-O 2.91Å; D187-L189 WeakPolarHBondContact OD1-CB 3.44Å; D187-L189 PolarHBondContact OD1-N 3.04Å |
| 190 | W | 88.3 | Confident | 85.1 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.8 | 172 | -81.4 | 114.4 | 0 | 0 | 0 | 110.3 | R65 A85 T115 I116 R117 F239 E241 | R65-W190 HydrophobicContact CB-CD2 4.07Å; R65-W190 HydrophobicContact CB-CG 4.12Å; R65-W190 HydrophobicContact CG-CB 4.11Å; R65-W190 HydrophobicContact CG-CD2 4.49Å; R65-W190 HydrophobicContact CG-CG 4.04Å; A85-W190 HydrophobicContact CB-CH2 3.53Å; A85-W190 HydrophobicContact CB-CZ2 4.08Å; T115-W190 HydrophobicContact CG2-CE3 4.25Å; I116-W190 VanDerWaalsContact C-CE3 3.49Å; R117-W190 HydrophobicContact CB-CD2 3.64Å; R117-W190 HydrophobicContact CB-CE3 3.62Å; R117-W190 HydrophobicContact CB-CG 4.17Å; R117-W190 HydrophobicContact CB-CH2 4.21Å; R117-W190 HydrophobicContact CB-CZ2 4.27Å; R117-W190 HydrophobicContact CB-CZ3 3.91Å; W190-F239 HydrophobicContact CH2-CB 3.58Å; W190-F239 HydrophobicContact CZ2-CB 4.04Å; W190-F239 HydrophobicContact CZ3-CB 4.41Å; W190-E241 HydrophobicContact CH2-CB 4.23Å; W190-E241 HydrophobicContact CZ3-CB 4.07Å |
| 191 | H | 89.9 | Confident | 84.9 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.2 | 174 | -64.2 | -57.4 | 0 | 0 | 0 | 112 | T115 I116 L185 D187 V193 V206 D207 | T115-H191 WeakPolarHBondContact CA-O 3.39Å; I116-H191 PolarHBondContact N-O 3.18Å; I116-H191 PolarHBondContact O-N 3.44Å; L185-H191 HydrophobicContact CD2-CB 4.02Å; D187-H191 IonicContact OD1-CE1 2.68Å; D187-H191 IonicContact OD1-NE2 3.65Å; D187-H191 PolarHBondContact OD1-NE2 2.84Å; D187-H191 IonicContact OD2-CE1 3.53Å; D187-H191 PolarHBondContact OD2-CE1 2.82Å; D187-H191 IonicContact OD2-NE2 2.69Å; D187-H191 PolarHBondContact OD2-NE2 2.8Å; H191-V193 HydrophobicContact CB-CG2 3.92Å; H191-V206 HydrophobicContact CB-CG1 4.2Å; H191-D207 VanDerWaalsContact CA-OD1 3.3Å; H191-D207 WeakPolarHBondContact CA-OD1 3.46Å; H191-D207 IonicContact CE1-OD2 2.65Å; H191-D207 IonicContact CG-OD2 2.73Å; H191-D207 IonicContact ND1-OD2 3.9Å; H191-D207 PolarHBondContact ND1-OD2 2.81Å |
| 192 | R | 90.6 | Very high | 84.9 | Confident | 26 Ų | 26 | 37 Ų | 37 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110 | 163.6 | -69.2 | 177.7 | -73.1 | -165.7 | -3.6 | 109 | T115 V206 D207 C208 S260 P261 N262 | T115-R192 HydrophobicContact CG2-CG 3.98Å; R192-V206 CarbonylContact O-C 3.57Å; R192-V206 WeakPolarHBondContact O-CA 3.48Å; R192-D207 PolarHBondContact N-OD1 3.45Å; R192-D207 PolarHBondContact O-N 2.79Å; R192-C208 PolarHBondContact NH2-SG 2.94Å; R192-S260 WeakPolarHBondContact CD-O 3.47Å; R192-S260 PolarHBondContact NH1-O 2.81Å; R192-P261 PolarHBondContact NH1-O 2.95Å; R192-N262 VanDerWaalsContact CZ-OD1 3.31Å; R192-N262 PolarHBondContact NH1-OD1 2.91Å; R192-N262 PolarHBondContact NH2-OD1 3.16Å |
| 193 | V | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.2 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | L113 F114 L146 L185 H191 V195 L204 L205 V206 | L113-V193 WeakPolarHBondContact CA-O 3.4Å; F114-V193 HydrophobicContact CD1-CB 4.41Å; F114-V193 HydrophobicContact CD2-CB 3.96Å; F114-V193 HydrophobicContact CD2-CG2 4.3Å; F114-V193 HydrophobicContact CE1-CB 4.08Å; F114-V193 HydrophobicContact CE1-CG1 3.84Å; F114-V193 HydrophobicContact CE2-CB 3.59Å; F114-V193 HydrophobicContact CE2-CG1 3.92Å; F114-V193 HydrophobicContact CE2-CG2 3.79Å; F114-V193 HydrophobicContact CG-CB 4.36Å; F114-V193 HydrophobicContact CZ-CB 3.66Å; F114-V193 HydrophobicContact CZ-CG1 3.46Å; F114-V193 VanDerWaalsContact CZ-CG1 3.46Å; F114-V193 HydrophobicContact CZ-CG2 4.21Å; F114-V193 PolarHBondContact N-O 3.25Å; F114-V193 PolarHBondContact O-N 3.05Å; L146-V193 HydrophobicContact CD1-CG1 4.25Å; L185-V193 HydrophobicContact CD1-CG2 3.99Å; L185-V193 HydrophobicContact CD2-CG2 3.78Å; H191-V193 HydrophobicContact CB-CG2 3.92Å; V193-V195 HydrophobicContact CG1-CG2 4.19Å; V193-L204 HydrophobicContact CG1-CD1 3.73Å; V193-L205 WeakPolarHBondContact CA-O 3.31Å; V193-V206 HydrophobicContact CG1-CG2 4.35Å; V193-V206 HydrophobicContact CG2-CG1 4.48Å; V193-V206 HydrophobicContact CG2-CG2 4.37Å |
| 194 | A | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I112 L113 L205 V252 Q255 | I112-A194 WeakPolarHBondContact O-CA 3.25Å; L113-A194 HydrophobicContact CD1-CB 4.01Å; L113-A194 HydrophobicContact CG-CB 3.86Å; A194-L205 HydrophobicContact CB-CB 4.23Å; A194-L205 PolarHBondContact N-O 3.39Å; A194-L205 PolarHBondContact O-N 2.83Å; A194-V252 HydrophobicContact CB-CB 4.22Å; A194-V252 HydrophobicContact CB-CG1 4.04Å; A194-V252 HydrophobicContact CB-CG2 3.99Å; A194-Q255 HydrophobicContact CB-CB 3.78Å; A194-Q255 HydrophobicContact CB-CG 3.98Å |
| 195 | V | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111 | -178.1 | -168.6 | 0 | 0 | 0 | 0 | 109 | S111 I112 L146 L148 F181 V193 I197 R203 L204 | S111-V195 WeakPolarHBondContact CA-O 3.29Å; I112-V195 PolarHBondContact N-O 2.71Å; I112-V195 PolarHBondContact O-N 2.75Å; L146-V195 HydrophobicContact CD1-CG2 4.19Å; L146-V195 HydrophobicContact CD2-CG2 4.44Å; L148-V195 HydrophobicContact CD1-CG1 4.4Å; L148-V195 HydrophobicContact CD2-CG1 4.48Å; F181-V195 HydrophobicContact CE2-CG1 4.45Å; V193-V195 HydrophobicContact CG1-CG2 4.19Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; V195-R203 WeakPolarHBondContact CA-O 3.46Å; V195-L204 HydrophobicContact CG2-CD1 3.91Å |
| 196 | S | 88.2 | Confident | 86 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.2 | 168.3 | 61 | 0 | 0 | 0 | 0 | 108.1 | A202 R203 V252 | S196-A202 CarbonylContact O-C 3.53Å; S196-A202 WeakPolarHBondContact O-CA 3.47Å; S196-R203 PolarHBondContact N-O 3.39Å; S196-R203 PolarHBondContact O-N 3Å; S196-R203 WeakPolarHBondContact OG-CB 3.34Å; S196-R203 PolarHBondContact OG-N 2.78Å; S196-V252 VanDerWaalsContact CB-CG2 3.46Å |
| 197 | I | 85.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 84.2 | -176 | -58.2 | -176.9 | 0 | 0 | 0 | 106.7 | D109 L110 I112 L138 I140 L148 V195 Y216 | D109-I197 WeakPolarHBondContact CA-O 3.14Å; L110-I197 PolarHBondContact N-O 3.37Å; L110-I197 WeakPolarHBondContact O-CA 3.16Å; L110-I197 WeakPolarHBondContact O-CB 3.46Å; L110-I197 PolarHBondContact O-N 3.43Å; I112-I197 HydrophobicContact CD1-CD1 3.77Å; I112-I197 HydrophobicContact CG1-CD1 4.11Å; L138-I197 HydrophobicContact CD1-CD1 4.49Å; L138-I197 HydrophobicContact CD2-CD1 3.85Å; L138-I197 HydrophobicContact CD2-CG2 4.19Å; I140-I197 HydrophobicContact CD1-CD1 4.07Å; L148-I197 HydrophobicContact CD2-CD1 4.29Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; I197-Y216 WeakPolarHBondContact CG2-OH 3.49Å |
| 198 | G | 78.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -84.4 | 172.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D109 T200 T201 Y216 E249 | D109-G198 VanDerWaalsContact OD1-CA 3.23Å; D109-G198 WeakPolarHBondContact OD1-CA 3.47Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 2.82Å; G198-T201 WeakPolarHBondContact CA-O 3.4Å; G198-T201 PolarHBondContact N-O 3.03Å; G198-Y216 WeakPolarHBondContact O-CE1 3.48Å; G198-Y216 VanDerWaalsContact O-CZ 3.28Å; G198-Y216 PolarHBondContact O-OH 3.22Å; G198-E249 VanDerWaalsContact CA-OE1 3.22Å; G198-E249 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 199 | T | 74.4 | Confident | 86.5 | Confident | 57 Ų | 57 | 33.9 Ų | 33.9 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -54 | -34.2 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | P108 D109 | P108-T199 HydrophobicContact CB-CG2 4.03Å; D109-T199 WeakPolarHBondContact OD1-CG2 3.29Å; D109-T199 PolarHBondContact OD1-N 3.17Å |
| 200 | T | 77.4 | Confident | 86.2 | Confident | 80 Ų | 80 | 34.7 Ų | 34.7 | 49% | 0.491 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -133.1 | -12.3 | -175.4 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | G198 N215 Y216 | G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 2.82Å; T200-N215 WeakPolarHBondContact O-CA 3.38Å; T200-Y216 CarbonylContact C-O 3.59Å; T200-Y216 WeakPolarHBondContact CA-O 3.48Å; T200-Y216 PolarHBondContact O-N 3Å |
| 201 | T | 84.6 | Confident | 85.7 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.4 | -176.9 | 76.9 | 0 | 0 | 0 | 0 | 111.1 | G198 I214 N215 Y216 | G198-T201 WeakPolarHBondContact CA-O 3.4Å; G198-T201 PolarHBondContact N-O 3.03Å; T201-I214 CarbonylContact C-O 3.55Å; T201-I214 WeakPolarHBondContact CA-O 3.21Å; T201-N215 WeakPolarHBondContact CG2-OD1 3.47Å; T201-Y216 VanDerWaalsContact C-CE1 3.43Å |
| 202 | A | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L148 F181 S196 F213 I214 Y216 | L148-A202 HydrophobicContact CD1-CB 3.79Å; F181-A202 HydrophobicContact CE2-CB 4.47Å; F181-A202 HydrophobicContact CZ-CB 3.83Å; S196-A202 CarbonylContact O-C 3.53Å; S196-A202 WeakPolarHBondContact O-CA 3.47Å; A202-F213 CarbonylContact O-C 3.58Å; A202-F213 VanDerWaalsContact O-CA 3.29Å; A202-F213 WeakPolarHBondContact O-CA 3.19Å; A202-I214 PolarHBondContact N-O 3.06Å; A202-I214 PolarHBondContact O-N 2.83Å; A202-Y216 HydrophobicContact CB-CD1 3.98Å; A202-Y216 HydrophobicContact CB-CE1 3.77Å |
| 203 | R | 88.7 | Confident | 85.3 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.1 | 177.7 | -47.5 | -174.8 | -172.1 | 87.7 | 5.7 | 109.4 | V195 S196 F213 E249 | V195-R203 WeakPolarHBondContact CA-O 3.46Å; S196-R203 PolarHBondContact N-O 3.39Å; S196-R203 PolarHBondContact O-N 3Å; S196-R203 WeakPolarHBondContact OG-CB 3.34Å; S196-R203 PolarHBondContact OG-N 2.78Å; R203-F213 HydrophobicContact CG-CB 4.35Å; R203-E249 IonicContact CZ-OE2 3.5Å; R203-E249 IonicContact NH1-OE2 3.61Å; R203-E249 PolarHBondContact NH1-OE2 3.37Å; R203-E249 IonicContact NH2-OE2 2.7Å; R203-E249 PolarHBondContact NH2-OE2 2.8Å |
| 204 | L | 90 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.4 | 178.7 | 175.7 | 64.9 | 0 | 0 | 0 | 109.9 | L146 F181 T183 V193 V195 V206 R211 E212 | L146-L204 HydrophobicContact CD1-CD1 4.18Å; F181-L204 HydrophobicContact CB-CD2 3.64Å; F181-L204 HydrophobicContact CD1-CB 3.67Å; F181-L204 HydrophobicContact CD1-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CG 4.45Å; F181-L204 HydrophobicContact CD2-CD2 4.4Å; F181-L204 HydrophobicContact CE1-CB 3.58Å; F181-L204 HydrophobicContact CE2-CB 4.48Å; F181-L204 HydrophobicContact CG-CB 4.15Å; F181-L204 HydrophobicContact CG-CD2 3.76Å; F181-L204 HydrophobicContact CZ-CB 4.01Å; T183-L204 HydrophobicContact CG2-CD2 4.36Å; V193-L204 HydrophobicContact CG1-CD1 3.73Å; V195-L204 HydrophobicContact CG2-CD1 3.91Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.83Å; L204-R211 PolarHBondContact O-N 3.37Å; L204-E212 HydrophobicContact CB-CB 4.48Å; L204-E212 PolarHBondContact N-O 3.33Å; L204-E212 PolarHBondContact O-N 2.82Å |
| 205 | L | 89.4 | Confident | 84.4 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.1 | 167.4 | -152 | 91.8 | 0 | 0 | 0 | 107.9 | V193 A194 K209 Q210 V252 | V193-L205 WeakPolarHBondContact CA-O 3.31Å; A194-L205 HydrophobicContact CB-CB 4.23Å; A194-L205 PolarHBondContact N-O 3.39Å; A194-L205 PolarHBondContact O-N 2.83Å; L205-K209 WeakPolarHBondContact CA-O 3.37Å; L205-Q210 HydrophobicContact CD1-CB 3.83Å; L205-V252 HydrophobicContact CB-CG1 3.61Å; L205-V252 HydrophobicContact CD1-CG1 4.15Å; L205-V252 HydrophobicContact CD2-CG1 4.17Å; L205-V252 HydrophobicContact CG-CG1 4.21Å |
| 206 | V | 89.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.1 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | T183 L185 H191 R192 V193 L204 C208 K209 R211 | T183-V206 HydrophobicContact CG2-CG2 3.94Å; L185-V206 HydrophobicContact CD2-CG1 3.96Å; L185-V206 HydrophobicContact CD2-CG2 4.23Å; H191-V206 HydrophobicContact CB-CG1 4.2Å; R192-V206 CarbonylContact O-C 3.57Å; R192-V206 WeakPolarHBondContact O-CA 3.48Å; V193-V206 HydrophobicContact CG1-CG2 4.35Å; V193-V206 HydrophobicContact CG2-CG1 4.48Å; V193-V206 HydrophobicContact CG2-CG2 4.37Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.83Å; V206-C208 VanDerWaalsContact C-N 3.31Å; V206-C208 PolarHBondContact O-N 3.14Å; V206-K209 PolarHBondContact N-O 2.79Å; V206-K209 PolarHBondContact O-N 2.84Å; V206-R211 HydrophobicContact CB-CG 3.87Å; V206-R211 HydrophobicContact CG2-CG 4.25Å |
| 207 | D | 88.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 49.7 | -176.3 | -58.3 | -45.6 | 0 | 0 | 0 | 112 | H191 R192 K209 | H191-D207 VanDerWaalsContact CA-OD1 3.3Å; H191-D207 WeakPolarHBondContact CA-OD1 3.46Å; H191-D207 IonicContact CE1-OD2 2.65Å; H191-D207 IonicContact CG-OD2 2.73Å; H191-D207 IonicContact ND1-OD2 3.9Å; H191-D207 PolarHBondContact ND1-OD2 2.81Å; R192-D207 PolarHBondContact N-OD1 3.45Å; R192-D207 PolarHBondContact O-N 2.79Å; D207-K209 PolarHBondContact O-N 2.8Å |
| 208 | C | 85.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 1.1 | 178.2 | -44.2 | 0 | 0 | 0 | 0 | 115.4 | R192 V206 C256 | R192-C208 PolarHBondContact NH2-SG 2.94Å; V206-C208 VanDerWaalsContact C-N 3.31Å; V206-C208 PolarHBondContact O-N 3.14Å; C208-C256 WeakPolarHBondContact CA-SG 3.06Å; C208-C256 HydrophobicContact CB-CB 3.76Å; C208-C256 WeakPolarHBondContact CB-SG 3.23Å; C208-C256 WeakPolarHBondContact SG-CB 3.43Å; C208-C256 CovalentContact SG-SG 2.02Å; C208-C256 PolarHBondContact SG-SG 2.64Å |
| 209 | K | 83.2 | Confident | 81.3 | Confident | 144 Ų | 144 | 58.1 Ų | 58.1 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.1 | 178.3 | -63 | -177.6 | -178.6 | -174.5 | 0 | 109.4 | L205 V206 D207 R211 | L205-K209 WeakPolarHBondContact CA-O 3.37Å; V206-K209 PolarHBondContact N-O 2.79Å; V206-K209 PolarHBondContact O-N 2.84Å; D207-K209 PolarHBondContact O-N 2.8Å; K209-R211 PolarHBondContact O-N 2.77Å; K209-R211 VanDerWaalsContact O-N 3.13Å |
| 210 | Q | 79.1 | Confident | 80.4 | Confident | 123 Ų | 123 | 58.4 Ų | 58.4 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 112.5 | 172.8 | -169 | 179.4 | -67.3 | 0 | 0 | 108.4 | L205 | L205-Q210 HydrophobicContact CD1-CB 3.83Å |
| 211 | R | 78.4 | Confident | 79.1 | Confident | 140 Ų | 140 | 59 Ų | 59 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -49.3 | -177.5 | -64.4 | -57 | -172.3 | 151.6 | 5.6 | 111.2 | L204 V206 K209 | L204-R211 PolarHBondContact O-N 3.37Å; V206-R211 HydrophobicContact CB-CG 3.87Å; V206-R211 HydrophobicContact CG2-CG 4.25Å; K209-R211 PolarHBondContact O-N 2.77Å; K209-R211 VanDerWaalsContact O-N 3.13Å |
| 212 | E | 84.5 | Confident | 77.6 | Confident | 41 Ų | 41 | 62 Ų | 62 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.7 | -166.8 | -69.1 | 179.6 | -119.6 | 0 | 0 | 112 | F181 K182 T183 L204 | F181-E212 VanDerWaalsContact CA-OE2 3.27Å; F181-E212 WeakPolarHBondContact CA-OE2 3.33Å; F181-E212 HydrophobicContact CD1-CB 3.6Å; F181-E212 HydrophobicContact CE1-CB 4.18Å; K182-E212 VanDerWaalsContact N-CD 3.31Å; K182-E212 PolarHBondContact N-OE1 3.45Å; K182-E212 PolarHBondContact N-OE2 3.26Å; T183-E212 WeakPolarHBondContact CB-OE1 3.45Å; T183-E212 PolarHBondContact N-OE1 3.14Å; T183-E212 PolarHBondContact OG1-OE1 3.05Å; L204-E212 HydrophobicContact CB-CB 4.48Å; L204-E212 PolarHBondContact N-O 3.33Å; L204-E212 PolarHBondContact O-N 2.82Å |
| 213 | F | 86 | Confident | 76.1 | Confident | 138 Ų | 138 | 62.6 Ų | 62.6 | 61% | 0.605 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.6 | 168.7 | 68.3 | -86 | 0 | 0 | 0 | 109.6 | A202 R203 | A202-F213 CarbonylContact O-C 3.58Å; A202-F213 VanDerWaalsContact O-CA 3.29Å; A202-F213 WeakPolarHBondContact O-CA 3.19Å; R203-F213 HydrophobicContact CG-CB 4.35Å |
| 214 | I | 84.4 | Confident | 74.8 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.5 | -178.6 | -57.8 | 174.4 | 0 | 0 | 0 | 109.2 | A179 I180 F181 T201 A202 | A179-I214 HydrophobicContact CB-CD1 4.27Å; A179-I214 HydrophobicContact CB-CG2 3.84Å; I180-I214 VanDerWaalsContact C-CD1 3.4Å; I180-I214 VanDerWaalsContact O-CD1 3.27Å; I180-I214 WeakPolarHBondContact O-CD1 3.32Å; F181-I214 HydrophobicContact CB-CD1 4.4Å; F181-I214 HydrophobicContact CD1-CD1 3.43Å; F181-I214 VanDerWaalsContact CD1-CD1 3.43Å; F181-I214 HydrophobicContact CD1-CG1 3.81Å; F181-I214 HydrophobicContact CD2-CD1 3.98Å; F181-I214 HydrophobicContact CE1-CB 4.32Å; F181-I214 HydrophobicContact CE1-CD1 3.6Å; F181-I214 HydrophobicContact CE1-CG1 3.64Å; F181-I214 HydrophobicContact CE2-CD1 4.13Å; F181-I214 HydrophobicContact CG-CD1 3.66Å; F181-I214 HydrophobicContact CZ-CD1 3.96Å; F181-I214 HydrophobicContact CZ-CG1 4.22Å; T201-I214 CarbonylContact C-O 3.55Å; T201-I214 WeakPolarHBondContact CA-O 3.21Å; A202-I214 PolarHBondContact N-O 3.06Å; A202-I214 PolarHBondContact O-N 2.83Å |
| 215 | N | 79.9 | Confident | 73.5 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.6 | 170.2 | -62.5 | -22.2 | 0 | 0 | 0 | 109.1 | T200 T201 | T200-N215 WeakPolarHBondContact O-CA 3.38Å; T201-N215 WeakPolarHBondContact CG2-OD1 3.47Å |
| 216 | Y | 78.2 | Confident | 72.5 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | trans | -153.2 | 145 | -170.4 | 82.3 | -72.6 | 0 | 0 | 0 | 111.3 | Y150 I197 G198 T200 T201 A202 R218 | Y150-Y216 AromaticContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CE2 4.11Å; Y150-Y216 AromaticContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CE2 4.21Å; Y150-Y216 AromaticContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CD2 3.5Å; Y150-Y216 VanDerWaalsContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CE2 4.41Å; Y150-Y216 HydrophobicContact CE1-CG 4.22Å; Y150-Y216 AromaticContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CE2 4.48Å; Y150-Y216 AromaticContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CE2 4.01Å; Y150-Y216 AromaticContact CZ-CD2 3.53Å; Y150-Y216 WeakPolarHBondContact OH-CB 3.36Å; I197-Y216 WeakPolarHBondContact CG2-OH 3.49Å; G198-Y216 WeakPolarHBondContact O-CE1 3.48Å; G198-Y216 VanDerWaalsContact O-CZ 3.28Å; G198-Y216 PolarHBondContact O-OH 3.22Å; T200-Y216 CarbonylContact C-O 3.59Å; T200-Y216 WeakPolarHBondContact CA-O 3.48Å; T200-Y216 PolarHBondContact O-N 3Å; T201-Y216 VanDerWaalsContact C-CE1 3.43Å; A202-Y216 HydrophobicContact CB-CD1 3.98Å; A202-Y216 HydrophobicContact CB-CE1 3.77Å; Y216-R218 HydrophobicContact CD2-CB 4.23Å; Y216-R218 HydrophobicContact CE2-CB 3.71Å; Y216-R218 HydrophobicContact CE2-CG 4.18Å; Y216-R218 PolarHBondContact O-N 2.96Å; Y216-R218 WeakPolarHBondContact OH-CD 3.29Å | ||
| 217 | N | 68.4 | Low | 71.6 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -101.5 | 70.3 | -164.1 | -172.3 | 21.8 | 0 | 0 | 0 | 113.4 | Y150 S152 R153 | Y150-N217 PolarHBondContact OH-N 2.8Å; S152-N217 WeakPolarHBondContact CA-O 3.41Å; R153-N217 PolarHBondContact N-O 2.9Å | ||
| 218 | R | 68.7 | Low | 71.2 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 140.6 | -174.1 | -165.9 | 178 | 175.9 | -152.1 | -2.8 | 113.2 | P108 Y150 Y216 S220 | P108-R218 PolarHBondContact O-NH1 3.36Å; Y150-R218 HydrophobicContact CD2-CB 4.29Å; Y150-R218 HydrophobicContact CD2-CG 4.43Å; Y216-R218 HydrophobicContact CD2-CB 4.23Å; Y216-R218 HydrophobicContact CE2-CB 3.71Å; Y216-R218 HydrophobicContact CE2-CG 4.18Å; Y216-R218 PolarHBondContact O-N 2.96Å; Y216-R218 WeakPolarHBondContact OH-CD 3.29Å; R218-S220 PolarHBondContact O-N 2.98Å |
| 219 | S | 62.5 | Low | 71 | Confident | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | trans | -71 | 119 | 172.2 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L151 T221 | L151-S219 PolarHBondContact O-N 3.47Å; L151-S219 PolarHBondContact O-OG 3.25Å; S219-T221 PolarHBondContact O-N 2.9Å | ||
| 220 | S | 53.9 | Low | 71.1 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | trans | -74.8 | 25.6 | -177.5 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | R153 R218 S222 | R153-S220 PolarHBondContact NH2-OG 2.89Å; R218-S220 PolarHBondContact O-N 2.98Å; S220-S222 PolarHBondContact O-N 3.3Å | ||
| 221 | T | 51.1 | Low | 71.3 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 123.7 | -177.8 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | S219 I223 | S219-T221 PolarHBondContact O-N 2.9Å; T221-I223 PolarHBondContact O-N 3.17Å; T221-I223 VanDerWaalsContact O-N 3.1Å |
| 222 | S | 52.8 | Low | 71.4 | Confident | 95 Ų | 95 | 51 Ų | 51 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -46.3 | 118.8 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | S220 D224 | S220-S222 PolarHBondContact O-N 3.3Å; S222-D224 PolarHBondContact O-N 2.71Å |
| 223 | I | 55.8 | Low | 71.2 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -82.9 | 116.3 | -176.4 | -62.8 | 168.4 | 0 | 0 | 0 | 106.9 | F106 L129 I137 T221 N225 | F106-I223 HydrophobicContact CB-CB 3.55Å; F106-I223 HydrophobicContact CB-CD1 4.24Å; F106-I223 HydrophobicContact CB-CG1 4.46Å; F106-I223 HydrophobicContact CB-CG2 3.56Å; F106-I223 HydrophobicContact CD1-CD1 4.06Å; F106-I223 HydrophobicContact CG-CB 4.46Å; F106-I223 HydrophobicContact CG-CD1 4.49Å; F106-I223 HydrophobicContact CG-CG2 4.13Å; F106-I223 PolarHBondContact N-O 3.35Å; L129-I223 HydrophobicContact CD2-CD1 4.03Å; L129-I223 HydrophobicContact CD2-CG2 4.34Å; I137-I223 HydrophobicContact CD1-CB 4.35Å; I137-I223 HydrophobicContact CD1-CD1 4.49Å; I137-I223 HydrophobicContact CD1-CG1 4.05Å; I137-I223 HydrophobicContact CD1-CG2 3.67Å; I137-I223 HydrophobicContact CG2-CD1 4.15Å; I137-I223 HydrophobicContact CG2-CG1 4.34Å; T221-I223 PolarHBondContact O-N 3.17Å; T221-I223 VanDerWaalsContact O-N 3.1Å; I223-N225 PolarHBondContact O-N 2.86Å |
| 224 | D | 61.2 | Low | 70.7 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 118.4 | 174.1 | -170.5 | -18.3 | 0 | 0 | 0 | 109.3 | R132 S222 R226 G227 | R132-D224 HydrophobicContact CB-CB 4.37Å; R132-D224 WeakPolarHBondContact CD-OD2 3.4Å; R132-D224 HydrophobicContact CG-CB 4.16Å; R132-D224 VanDerWaalsContact CG-OD2 3.24Å; R132-D224 WeakPolarHBondContact CG-OD2 3.15Å; R132-D224 IonicContact CZ-OD2 3.05Å; R132-D224 IonicContact NE-OD2 2.65Å; R132-D224 IonicContact NH1-OD2 3.23Å; R132-D224 PolarHBondContact NH1-OD2 3.12Å; S222-D224 PolarHBondContact O-N 2.71Å; D224-R226 PolarHBondContact O-N 3.33Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 VanDerWaalsContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CB 3.42Å; D224-R226 WeakPolarHBondContact OD1-CD 3.29Å; D224-R226 WeakPolarHBondContact OD1-CG 3.47Å; D224-R226 PolarHBondContact OD1-N 3.29Å; D224-G227 PolarHBondContact O-N 2.85Å |
| 225 | N | 63.6 | Low | 70.3 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.5 | 179.4 | 64.6 | -5.1 | 0 | 0 | 0 | 113 | G98 R99 I102 P103 D104 I223 G227 | G98-N225 CarbonylContact C-O 3.47Å; G98-N225 VanDerWaalsContact CA-O 3.23Å; G98-N225 WeakPolarHBondContact CA-O 3.33Å; R99-N225 PolarHBondContact N-O 3.27Å; I102-N225 PolarHBondContact O-ND2 3.4Å; P103-N225 PolarHBondContact O-ND2 3.24Å; D104-N225 VanDerWaalsContact C-ND2 3.29Å; D104-N225 WeakPolarHBondContact O-CB 3.29Å; D104-N225 PolarHBondContact O-ND2 2.94Å; I223-N225 PolarHBondContact O-N 2.86Å; N225-G227 PolarHBondContact O-N 2.76Å |
| 226 | R | 67.8 | Low | 70.2 | Confident | 164 Ų | 164 | 41 Ų | 41 | 62% | 0.619 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 6.1 | 166.9 | -55.3 | 169.4 | -170.7 | -154.6 | 2.8 | 113.8 | R132 D224 | R132-R226 HydrophobicContact CB-CB 4Å; D224-R226 PolarHBondContact O-N 3.33Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 VanDerWaalsContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CB 3.42Å; D224-R226 WeakPolarHBondContact OD1-CD 3.29Å; D224-R226 WeakPolarHBondContact OD1-CG 3.47Å; D224-R226 PolarHBondContact OD1-N 3.29Å |
| 227 | G | 70.9 | Confident | 70.1 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -64.7 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G98 Y130 D224 N225 | G98-G227 PolarHBondContact N-O 3.15Å; Y130-G227 CarbonylContact O-C 3.27Å; Y130-G227 WeakPolarHBondContact O-CA 3.2Å; D224-G227 PolarHBondContact O-N 2.85Å; N225-G227 PolarHBondContact O-N 2.76Å |
| 228 | R | 79.5 | Confident | 70.9 | Confident | 137 Ų | 137 | 39 Ų | 39 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.9 | 172.8 | -71.9 | -175.6 | 177 | -177.8 | -2.1 | 110 | Y130 | Y130-R228 WeakPolarHBondContact CB-O 3.41Å; Y130-R228 PolarHBondContact N-O 3.42Å; Y130-R228 PolarHBondContact O-N 2.85Å; Y130-R228 VanDerWaalsContact O-N 3.09Å |
| 229 | I | 81.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.3 | 169.3 | -47.4 | -155.2 | 0 | 0 | 0 | 108.1 | Y95 I96 L101 F106 F127 T128 L129 V231 L245 | Y95-I229 CarbonylContact C-O 3.02Å; Y95-I229 VanDerWaalsContact CA-O 3.3Å; Y95-I229 WeakPolarHBondContact CA-O 3.1Å; I96-I229 PolarHBondContact N-O 2.9Å; I96-I229 PolarHBondContact O-N 2.95Å; L101-I229 HydrophobicContact CD1-CB 4.38Å; L101-I229 HydrophobicContact CD1-CD1 3.48Å; L101-I229 VanDerWaalsContact CD1-CD1 3.48Å; L101-I229 HydrophobicContact CD1-CG1 3.96Å; F106-I229 HydrophobicContact CE2-CD1 3.79Å; F106-I229 HydrophobicContact CZ-CD1 4.16Å; F127-I229 HydrophobicContact CD2-CG2 3.85Å; F127-I229 HydrophobicContact CE2-CD1 4.32Å; F127-I229 HydrophobicContact CE2-CG2 3.28Å; F127-I229 HydrophobicContact CZ-CD1 4.29Å; F127-I229 HydrophobicContact CZ-CG2 3.83Å; T128-I229 WeakPolarHBondContact O-CA 3.18Å; L129-I229 HydrophobicContact CD1-CD1 3.96Å; L129-I229 HydrophobicContact CD1-CG1 3.8Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; I229-L245 HydrophobicContact CD1-CD1 4.36Å |
| 230 | Q | 85.2 | Confident | 73.1 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.8 | 167.8 | -173.9 | 172.1 | 12.4 | 0 | 0 | 109.1 | N93 L94 Y95 F127 T128 Y130 K233 | N93-Q230 PolarHBondContact OD1-NE2 3.02Å; L94-Q230 WeakPolarHBondContact O-CA 3.42Å; Y95-Q230 HydrophobicContact CD1-CB 3.8Å; Y95-Q230 HydrophobicContact CD1-CG 3.96Å; Y95-Q230 HydrophobicContact CE1-CB 3.67Å; Y95-Q230 HydrophobicContact CE1-CG 3.56Å; Y95-Q230 PolarHBondContact OH-NE2 2.8Å; F127-Q230 CarbonylContact C-O 3.52Å; F127-Q230 WeakPolarHBondContact CA-O 3.41Å; T128-Q230 PolarHBondContact N-O 3.45Å; T128-Q230 PolarHBondContact O-N 2.91Å; Y130-Q230 HydrophobicContact CE2-CB 3.96Å; Y130-Q230 PolarHBondContact OH-OE1 2.89Å; Q230-K233 HydrophobicContact CG-CB 4.46Å |
| 231 | V | 83.7 | Confident | 74.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.3 | -171.6 | 169.3 | 0 | 0 | 0 | 0 | 107.9 | V47 L94 I96 F127 I229 F243 | V47-V231 HydrophobicContact CG1-CB 4.48Å; V47-V231 HydrophobicContact CG1-CG1 3.94Å; V47-V231 HydrophobicContact CG1-CG2 3.81Å; L94-V231 HydrophobicContact CB-CB 4.35Å; L94-V231 WeakPolarHBondContact CB-O 3.25Å; L94-V231 PolarHBondContact N-O 2.81Å; L94-V231 PolarHBondContact O-N 3.45Å; I96-V231 HydrophobicContact CD1-CG2 4.22Å; F127-V231 HydrophobicContact CD2-CG2 4.42Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; V231-F243 HydrophobicContact CG1-CD1 4.17Å; V231-F243 HydrophobicContact CG1-CE1 3.82Å; V231-F243 HydrophobicContact CG2-CE1 4.43Å |
| 232 | L | 80.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 50.8 | 59.6 | 177.8 | -50.3 | -169.2 | 0 | 0 | 0 | 113.6 | I53 V88 L94 F126 D234 G235 I236 I240 | I53-L232 HydrophobicContact CD1-CD1 4.32Å; V88-L232 HydrophobicContact CG2-CD1 3.84Å; L94-L232 HydrophobicContact CD1-CD1 4.49Å; F126-L232 HydrophobicContact CD2-CD2 3.53Å; F126-L232 HydrophobicContact CE2-CD2 3.39Å; F126-L232 HydrophobicContact CG-CD2 4.41Å; F126-L232 HydrophobicContact CZ-CD2 4.15Å; F126-L232 PolarHBondContact O-N 2.93Å; L232-D234 PolarHBondContact O-N 3.12Å; L232-G235 PolarHBondContact O-N 3.42Å; L232-G235 VanDerWaalsContact O-N 3.09Å; L232-I236 HydrophobicContact CD1-CD1 3.75Å; L232-I236 HydrophobicContact CD1-CG1 4.27Å; L232-I236 HydrophobicContact CD2-CD1 3.49Å; L232-I236 VanDerWaalsContact CD2-CD1 3.49Å; L232-I236 HydrophobicContact CD2-CG1 3.95Å; L232-I236 HydrophobicContact CG-CD1 4.15Å; L232-I236 HydrophobicContact CG-CG1 4.47Å; L232-I240 HydrophobicContact CD1-CG2 4.28Å; L232-I240 HydrophobicContact CD2-CD1 4.41Å |
| 233 | K | 81.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 29.6 Ų | 29.6 | 22% | 0.217 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 121.7 | -176.1 | 178 | -175.6 | -176.7 | -172.6 | 0 | 111.6 | N93 E125 Q230 G235 | N93-K233 WeakPolarHBondContact OD1-CA 3.35Å; N93-K233 VanDerWaalsContact OD1-CG 3.3Å; N93-K233 WeakPolarHBondContact OD1-CG 3Å; E125-K233 HydrophobicContact CB-CB 4.16Å; E125-K233 HydrophobicContact CB-CD 3.99Å; E125-K233 VanDerWaalsContact CD-CD 3.46Å; E125-K233 HydrophobicContact CG-CD 4.31Å; E125-K233 PolarHBondContact O-N 2.86Å; E125-K233 IonicContact OE1-NZ 3.62Å; E125-K233 PolarHBondContact OE1-NZ 2.92Å; E125-K233 WeakPolarHBondContact OE2-CD 3.12Å; E125-K233 IonicContact OE2-NZ 2.85Å; E125-K233 PolarHBondContact OE2-NZ 3Å; Q230-K233 HydrophobicContact CG-CB 4.46Å; K233-G235 PolarHBondContact O-N 3.05Å |
| 234 | D | 75.8 | Confident | 79.8 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 32% | 0.316 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36 | -173.8 | -54.4 | -42.6 | 0 | 0 | 0 | 113.1 | R90 L92 N93 K124 L232 | R90-D234 WeakPolarHBondContact CA-O 3.33Å; L92-D234 VanDerWaalsContact O-CA 3.23Å; L92-D234 WeakPolarHBondContact O-CA 3.47Å; L92-D234 PolarHBondContact O-N 2.88Å; N93-D234 PolarHBondContact ND2-OD1 2.92Å; N93-D234 PolarHBondContact OD1-N 3.27Å; K124-D234 PolarHBondContact NZ-O 3.02Å; L232-D234 PolarHBondContact O-N 3.12Å |
| 235 | G | 75.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | 75.8 | -178 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V88 L92 L232 K233 | V88-G235 CarbonylContact O-C 3.59Å; V88-G235 VanDerWaalsContact O-CA 3.27Å; V88-G235 WeakPolarHBondContact O-CA 3.21Å; L92-G235 PolarHBondContact O-N 2.86Å; L232-G235 PolarHBondContact O-N 3.42Å; L232-G235 VanDerWaalsContact O-N 3.09Å; K233-G235 PolarHBondContact O-N 3.05Å | ||
| 236 | I | 76.7 | Confident | 81.8 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | trans | -118.5 | 132.3 | 174.9 | -74.5 | 174.4 | 0 | 0 | 0 | 109.1 | V88 I116 L118 F126 L232 G238 I240 | V88-I236 PolarHBondContact O-N 3.24Å; V88-I236 VanDerWaalsContact O-O 3.04Å; I116-I236 HydrophobicContact CD1-CD1 3.82Å; I116-I236 HydrophobicContact CD1-CG2 4.43Å; L118-I236 HydrophobicContact CD2-CG2 3.97Å; F126-I236 HydrophobicContact CE2-CD1 4.12Å; L232-I236 HydrophobicContact CD1-CD1 3.75Å; L232-I236 HydrophobicContact CD1-CG1 4.27Å; L232-I236 HydrophobicContact CD2-CD1 3.49Å; L232-I236 VanDerWaalsContact CD2-CD1 3.49Å; L232-I236 HydrophobicContact CD2-CG1 3.95Å; L232-I236 HydrophobicContact CG-CD1 4.15Å; L232-I236 HydrophobicContact CG-CG1 4.47Å; I236-G238 PolarHBondContact O-N 2.86Å; I236-I240 HydrophobicContact CD1-CB 3.88Å; I236-I240 HydrophobicContact CD1-CD1 4.12Å; I236-I240 HydrophobicContact CD1-CG2 3.99Å | ||
| 237 | H | 76.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 23.7 Ų | 23.7 | 16% | 0.162 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -87.8 | 98.3 | 163.2 | -82.2 | -90.1 | 0 | 0 | 0 | 109.6 | R90 L118 E119 L122 | R90-H237 WeakPolarHBondContact CG-NE2 3.28Å; R90-H237 VanDerWaalsContact CZ-NE2 3.34Å; R90-H237 PolarHBondContact NE-CE1 2.86Å; R90-H237 PolarHBondContact NE-NE2 3.11Å; R90-H237 PolarHBondContact NH2-CE1 2.82Å; R90-H237 PolarHBondContact NH2-NE2 3.07Å; R90-H237 VanDerWaalsContact NH2-NE2 3.16Å; L118-H237 WeakPolarHBondContact CA-O 3.33Å; E119-H237 HydrophobicContact CB-CB 4.17Å; E119-H237 HydrophobicContact CG-CB 4.2Å; E119-H237 PolarHBondContact N-O 2.83Å; E119-H237 WeakPolarHBondContact OE2-CB 3.48Å; E119-H237 IonicContact OE2-CG 3.67Å; E119-H237 IonicContact OE2-ND1 2.82Å; E119-H237 PolarHBondContact OE2-ND1 2.95Å; L122-H237 HydrophobicContact CD1-CB 3.82Å; L122-H237 HydrophobicContact CD2-CB 3.74Å; L122-H237 HydrophobicContact CG-CB 4.31Å |
| 238 | G | 83.9 | Confident | 82.3 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.6 | -151.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S87 R117 I236 | S87-G238 WeakPolarHBondContact CA-O 3.07Å; S87-G238 WeakPolarHBondContact CB-O 3.31Å; S87-G238 PolarHBondContact OG-O 2.99Å; R117-G238 CarbonylContact O-C 3.48Å; R117-G238 WeakPolarHBondContact O-CA 3.48Å; I236-G238 PolarHBondContact O-N 2.86Å |
| 239 | F | 88.8 | Confident | 82 | Confident | 60 Ų | 60 | 21 Ų | 21 | 26% | 0.263 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.9 | -170.8 | -55.4 | -82.8 | 0 | 0 | 0 | 111.4 | S62 A85 Y86 I116 R117 W190 | S62-F239 WeakPolarHBondContact OG-CD1 3.25Å; A85-F239 HydrophobicContact CB-CB 4.09Å; Y86-F239 WeakPolarHBondContact O-CA 3.5Å; I116-F239 CarbonylContact C-O 3.39Å; I116-F239 WeakPolarHBondContact CA-O 3.46Å; I116-F239 WeakPolarHBondContact CG1-O 3.47Å; R117-F239 PolarHBondContact N-O 3.01Å; R117-F239 PolarHBondContact O-N 2.68Å; W190-F239 HydrophobicContact CH2-CB 3.58Å; W190-F239 HydrophobicContact CZ2-CB 4.04Å; W190-F239 HydrophobicContact CZ3-CB 4.41Å |
| 240 | I | 90 | Very high | 81.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.3 | 172.1 | -168.8 | 169.4 | 0 | 0 | 0 | 109.9 | L48 A85 Y86 T115 I116 F126 L232 I236 F243 | L48-I240 HydrophobicContact CD1-CG1 4.45Å; L48-I240 HydrophobicContact CD1-CG2 4.43Å; L48-I240 HydrophobicContact CD2-CD1 4.28Å; L48-I240 HydrophobicContact CD2-CG2 4.42Å; A85-I240 CarbonylContact C-O 3.48Å; A85-I240 VanDerWaalsContact CA-O 3.31Å; A85-I240 WeakPolarHBondContact CA-O 3.49Å; Y86-I240 PolarHBondContact N-O 2.62Å; Y86-I240 PolarHBondContact O-N 3.05Å; T115-I240 WeakPolarHBondContact O-CA 3.41Å; T115-I240 WeakPolarHBondContact O-CG1 3.43Å; I116-I240 HydrophobicContact CG1-CB 4.46Å; F126-I240 HydrophobicContact CE2-CD1 3.83Å; F126-I240 HydrophobicContact CZ-CD1 3.8Å; L232-I240 HydrophobicContact CD1-CG2 4.28Å; L232-I240 HydrophobicContact CD2-CD1 4.41Å; I236-I240 HydrophobicContact CD1-CB 3.88Å; I236-I240 HydrophobicContact CD1-CD1 4.12Å; I236-I240 HydrophobicContact CD1-CG2 3.99Å; I240-F243 HydrophobicContact CD1-CB 4.05Å; I240-F243 HydrophobicContact CD1-CD1 4.35Å; I240-F243 HydrophobicContact CD1-CG 4.45Å |
| 241 | E | 88.9 | Confident | 80.7 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -55.4 | -178.8 | -179 | 173 | -126.3 | 0 | 0 | 110 | L48 G64 R65 A85 T115 W190 | L48-E241 VanDerWaalsContact CD1-O 3.25Å; L48-E241 WeakPolarHBondContact CD1-O 3.24Å; G64-E241 WeakPolarHBondContact CA-OE1 3.36Å; R65-E241 WeakPolarHBondContact CB-OE2 3.38Å; R65-E241 PolarHBondContact N-OE1 3.3Å; R65-E241 IonicContact NE-OE2 2.72Å; A85-E241 HydrophobicContact CB-CB 4.15Å; T115-E241 HydrophobicContact CG2-CB 4.19Å; T115-E241 VanDerWaalsContact CG2-OE2 3.28Å; T115-E241 WeakPolarHBondContact CG2-OE2 3.43Å; T115-E241 PolarHBondContact O-N 2.88Å; W190-E241 HydrophobicContact CH2-CB 4.23Å; W190-E241 HydrophobicContact CZ3-CB 4.07Å |
| 242 | D | 87.8 | Confident | 80.2 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.4 | -178.6 | -51.8 | -58.3 | 0 | 0 | 0 | 111.7 | F114 T115 Y244 S260 | F114-D242 VanDerWaalsContact CA-O 3.24Å; F114-D242 WeakPolarHBondContact CA-O 3.4Å; F114-D242 WeakPolarHBondContact CB-O 3.34Å; T115-D242 WeakPolarHBondContact CB-OD2 3.44Å; T115-D242 PolarHBondContact N-O 3.23Å; T115-D242 PolarHBondContact OG1-OD2 3.42Å; D242-Y244 HydrophobicContact CB-CD2 4.34Å; D242-Y244 HydrophobicContact CB-CE2 3.76Å; D242-S260 WeakPolarHBondContact OD2-CB 3.43Å; D242-S260 PolarHBondContact OD2-OG 3.13Å |
| 243 | F | 90.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 112.7 | 163.1 | -170.4 | -175.6 | 0 | 0 | 0 | 111.6 | V47 L48 I112 L113 F114 F126 F127 V231 I240 L245 | V47-F243 HydrophobicContact CB-CB 4.14Å; V47-F243 HydrophobicContact CB-CD1 3.8Å; V47-F243 HydrophobicContact CB-CD2 4.33Å; V47-F243 HydrophobicContact CB-CE1 4.26Å; V47-F243 HydrophobicContact CB-CG 3.84Å; V47-F243 WeakPolarHBondContact CB-O 3.41Å; V47-F243 HydrophobicContact CG1-CD1 3.8Å; V47-F243 HydrophobicContact CG1-CE1 3.91Å; V47-F243 HydrophobicContact CG1-CG 4.35Å; V47-F243 HydrophobicContact CG2-CD1 4.21Å; V47-F243 HydrophobicContact CG2-CD2 3.97Å; V47-F243 HydrophobicContact CG2-CE1 4.38Å; V47-F243 HydrophobicContact CG2-CE2 4.11Å; V47-F243 HydrophobicContact CG2-CG 4.01Å; V47-F243 HydrophobicContact CG2-CZ 4.33Å; V47-F243 PolarHBondContact N-O 2.76Å; L48-F243 HydrophobicContact CD1-CB 4.44Å; L48-F243 HydrophobicContact CD2-CB 3.78Å; L48-F243 HydrophobicContact CD2-CD1 4.42Å; L48-F243 HydrophobicContact CG-CB 3.77Å; I112-F243 HydrophobicContact CG2-CE2 3.7Å; I112-F243 HydrophobicContact CG2-CZ 4.31Å; L113-F243 CarbonylContact O-C 3.52Å; L113-F243 WeakPolarHBondContact O-CA 2.99Å; L113-F243 WeakPolarHBondContact O-CD2 3.22Å; F114-F243 HydrophobicContact CB-CB 4.46Å; F114-F243 HydrophobicContact CB-CD2 4.09Å; F114-F243 HydrophobicContact CB-CG 4.38Å; F126-F243 HydrophobicContact CD1-CE1 4.5Å; F126-F243 HydrophobicContact CD1-CZ 4.32Å; F126-F243 HydrophobicContact CE1-CD1 4.24Å; F126-F243 HydrophobicContact CE1-CD2 4.41Å; F126-F243 AromaticContact CE1-CE1 3.73Å; F126-F243 HydrophobicContact CE1-CE1 3.73Å; F126-F243 AromaticContact CE1-CE2 3.97Å; F126-F243 HydrophobicContact CE1-CE2 3.97Å; F126-F243 AromaticContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CZ-CD1 4.02Å; F126-F243 AromaticContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CG 4.35Å; F126-F243 HydrophobicContact CZ-CZ 4.21Å; F127-F243 AromaticContact CD2-CZ 3.91Å; F127-F243 HydrophobicContact CD2-CZ 3.91Å; V231-F243 HydrophobicContact CG1-CD1 4.17Å; V231-F243 HydrophobicContact CG1-CE1 3.82Å; V231-F243 HydrophobicContact CG2-CE1 4.43Å; I240-F243 HydrophobicContact CD1-CB 4.05Å; I240-F243 HydrophobicContact CD1-CD1 4.35Å; I240-F243 HydrophobicContact CD1-CG 4.45Å; F243-L245 HydrophobicContact CE2-CD2 4.07Å |
| 244 | Y | 87.7 | Confident | 79.7 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.8 | 178 | -54 | -71.2 | 0 | 0 | 0 | 113.7 | T44 L45 D46 L113 D242 Y259 | T44-Y244 HydrophobicContact CG2-CD1 4.37Å; L45-Y244 CarbonylContact O-C 3.52Å; L45-Y244 WeakPolarHBondContact O-CA 3.23Å; D46-Y244 HydrophobicContact CB-CD1 3.95Å; D46-Y244 HydrophobicContact CB-CE1 3.75Å; L113-Y244 PolarHBondContact N-O 3.32Å; L113-Y244 PolarHBondContact O-N 2.8Å; D242-Y244 HydrophobicContact CB-CD2 4.34Å; D242-Y244 HydrophobicContact CB-CE2 3.76Å; Y244-Y259 HydrophobicContact CD1-CD1 4.46Å; Y244-Y259 AromaticContact CD2-CD1 3.72Å; Y244-Y259 HydrophobicContact CD2-CD1 3.72Å; Y244-Y259 AromaticContact CD2-CG 3.96Å; Y244-Y259 HydrophobicContact CD2-CG 3.96Å; Y244-Y259 AromaticContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CG 4.16Å; Y244-Y259 HydrophobicContact CG-CD1 4.08Å |
| 245 | L | 84.4 | Confident | 79.9 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.4 | 166 | -63 | 175.4 | 0 | 0 | 0 | 109.6 | L45 V47 L110 I112 F127 I229 F243 | L45-L245 HydrophobicContact CB-CB 4.43Å; L45-L245 HydrophobicContact CD2-CB 4.29Å; L45-L245 HydrophobicContact CD2-CD1 4.03Å; L45-L245 HydrophobicContact CD2-CG 4.5Å; L45-L245 PolarHBondContact N-O 3.39Å; L45-L245 PolarHBondContact O-N 2.79Å; V47-L245 HydrophobicContact CG2-CB 4.43Å; V47-L245 HydrophobicContact CG2-CD1 3.87Å; V47-L245 HydrophobicContact CG2-CG 3.6Å; L110-L245 HydrophobicContact CD2-CD2 4.41Å; I112-L245 HydrophobicContact CB-CD2 4.2Å; I112-L245 HydrophobicContact CD1-CD2 4.02Å; I112-L245 HydrophobicContact CG1-CD2 3.67Å; I112-L245 HydrophobicContact CG2-CD2 4.04Å; F127-L245 HydrophobicContact CE2-CD1 3.88Å; F127-L245 HydrophobicContact CE2-CD2 4.05Å; F127-L245 HydrophobicContact CZ-CD1 4.4Å; F127-L245 HydrophobicContact CZ-CD2 4.4Å; I229-L245 HydrophobicContact CD1-CD1 4.36Å; F243-L245 HydrophobicContact CE2-CD2 4.07Å |
| 246 | L | 81.7 | Confident | 80 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.3 | -179.2 | -74 | 79.2 | 0 | 0 | 0 | 111.3 | T44 L110 S111 L113 Y259 | T44-L246 HydrophobicContact CG2-CD1 3.64Å; T44-L246 HydrophobicContact CG2-CD2 4.37Å; T44-L246 HydrophobicContact CG2-CG 3.71Å; L110-L246 WeakPolarHBondContact CD1-O 3.21Å; S111-L246 PolarHBondContact N-O 2.79Å; S111-L246 PolarHBondContact O-N 3.4Å; L113-L246 HydrophobicContact CD1-CD1 4.19Å; L113-L246 HydrophobicContact CD2-CD1 3.81Å; L113-L246 HydrophobicContact CD2-CD2 4.49Å; L113-L246 HydrophobicContact CG-CD1 4.42Å; L246-Y259 HydrophobicContact CD1-CE2 4.44Å; L246-Y259 HydrophobicContact CD2-CE2 3.71Å |
| 247 | P | 76.4 | Confident | 80.1 | Confident | 72 Ų | 72 | 39.9 Ų | 39.9 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.3 | 168 | 29.5 | -34.6 | 0 | 0 | 0 | 111 | G43 P107 | G43-P247 WeakPolarHBondContact O-CD 2.76Å; P107-P247 HydrophobicContact CG-CB 3.97Å |
| 248 | G | 73.5 | Confident | 80.1 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 25% | 0.247 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 86.1 | 169.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D109 L110 S111 | D109-G248 PolarHBondContact O-N 3.36Å; L110-G248 CarbonylContact C-O 3.2Å; S111-G248 PolarHBondContact N-O 3.45Å; S111-G248 PolarHBondContact OG-O 3.4Å |
| 249 | E | 72.3 | Confident | 79.9 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 27% | 0.271 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -78.9 | -21.2 | -179.2 | -61.9 | -170 | 179 | 0 | 0 | 114 | D109 S111 G198 R203 G251 | D109-E249 HydrophobicContact CB-CG 4.12Å; S111-E249 PolarHBondContact OG-O 3.01Å; G198-E249 VanDerWaalsContact CA-OE1 3.22Å; G198-E249 WeakPolarHBondContact CA-OE1 3.47Å; R203-E249 IonicContact CZ-OE2 3.5Å; R203-E249 IonicContact NH1-OE2 3.61Å; R203-E249 PolarHBondContact NH1-OE2 3.37Å; R203-E249 IonicContact NH2-OE2 2.7Å; R203-E249 PolarHBondContact NH2-OE2 2.8Å; E249-G251 PolarHBondContact O-N 3.25Å |
| 250 | E | 70.8 | Confident | 79.5 | Confident | 140 Ų | 140 | 38.7 Ų | 38.7 | 65% | 0.654 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -69.9 | -12.4 | -173 | -66.5 | -169.5 | 176.2 | 0 | 0 | 114.6 | V252 I253 | E250-V252 PolarHBondContact O-N 3.29Å; E250-I253 PolarHBondContact O-N 3.38Å |
| 251 | G | 67.6 | Low | 79 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -59.9 | -34.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S111 E249 I253 K254 Q255 | S111-G251 PolarHBondContact OG-N 2.53Å; E249-G251 PolarHBondContact O-N 3.25Å; G251-I253 VanDerWaalsContact C-N 3.34Å; G251-I253 PolarHBondContact O-N 3.02Å; G251-K254 PolarHBondContact O-N 2.99Å; G251-K254 VanDerWaalsContact O-N 3.1Å; G251-Q255 PolarHBondContact O-N 3.24Å |
| 252 | V | 73.4 | Confident | 78.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.6 | -41.8 | -176.9 | 169.4 | 0 | 0 | 0 | 0 | 113.4 | A194 S196 L205 E250 K254 Q255 | A194-V252 HydrophobicContact CB-CB 4.22Å; A194-V252 HydrophobicContact CB-CG1 4.04Å; A194-V252 HydrophobicContact CB-CG2 3.99Å; S196-V252 VanDerWaalsContact CB-CG2 3.46Å; L205-V252 HydrophobicContact CB-CG1 3.61Å; L205-V252 HydrophobicContact CD1-CG1 4.15Å; L205-V252 HydrophobicContact CD2-CG1 4.17Å; L205-V252 HydrophobicContact CG-CG1 4.21Å; E250-V252 PolarHBondContact O-N 3.29Å; V252-K254 PolarHBondContact O-N 3.48Å; V252-Q255 PolarHBondContact O-N 2.86Å |
| 253 | I | 74 | Confident | 77.9 | Confident | 130 Ų | 130 | 45.3 Ų | 45.3 | 67% | 0.667 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -64.4 | -32.4 | -178 | -58.6 | 174.3 | 0 | 0 | 0 | 110.3 | E250 G251 Q255 | E250-I253 PolarHBondContact O-N 3.38Å; G251-I253 VanDerWaalsContact C-N 3.34Å; G251-I253 PolarHBondContact O-N 3.02Å; I253-Q255 PolarHBondContact O-N 3.17Å |
| 254 | K | 77.2 | Confident | 76.4 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -84.4 | -5.6 | -175.6 | -65.3 | 172 | -176.5 | 163 | 0 | 113.8 | G251 V252 C256 V258 Y259 | G251-K254 PolarHBondContact O-N 2.99Å; G251-K254 VanDerWaalsContact O-N 3.1Å; V252-K254 PolarHBondContact O-N 3.48Å; K254-C256 PolarHBondContact O-N 3.27Å; K254-V258 HydrophobicContact CB-CB 4.32Å; K254-V258 HydrophobicContact CB-CG2 4.04Å; K254-V258 HydrophobicContact CG-CG2 4.36Å; K254-V258 WeakPolarHBondContact O-CB 3.31Å; K254-V258 PolarHBondContact O-N 2.99Å; K254-Y259 HydrophobicContact CB-CD2 4.23Å; K254-Y259 HydrophobicContact CB-CE2 3.92Å; K254-Y259 WeakPolarHBondContact O-CD2 3.43Å; K254-Y259 PolarHBondContact O-N 2.93Å |
| 255 | Q | 80.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -56.4 | -36.9 | -178.6 | 175 | 59.5 | -4.6 | 0 | 0 | 112.4 | L113 A194 G251 V252 I253 S260 | L113-Q255 HydrophobicContact CD2-CB 3.95Å; L113-Q255 VanDerWaalsContact CD2-OE1 3.24Å; L113-Q255 HydrophobicContact CG-CB 4.1Å; L113-Q255 HydrophobicContact CG-CG 4.41Å; A194-Q255 HydrophobicContact CB-CB 3.78Å; A194-Q255 HydrophobicContact CB-CG 3.98Å; G251-Q255 PolarHBondContact O-N 3.24Å; V252-Q255 PolarHBondContact O-N 2.86Å; I253-Q255 PolarHBondContact O-N 3.17Å; Q255-S260 PolarHBondContact O-N 3.2Å |
| 256 | C | 78.7 | Confident | 72.6 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 10% | 0.101 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -27.1 | -173.4 | -69.5 | 0 | 0 | 0 | 0 | 114.9 | C208 K254 P261 | C208-C256 WeakPolarHBondContact CA-SG 3.06Å; C208-C256 HydrophobicContact CB-CB 3.76Å; C208-C256 WeakPolarHBondContact CB-SG 3.23Å; C208-C256 WeakPolarHBondContact SG-CB 3.43Å; C208-C256 CovalentContact SG-SG 2.02Å; C208-C256 PolarHBondContact SG-SG 2.64Å; K254-C256 PolarHBondContact O-N 3.27Å; C256-P261 VanDerWaalsContact O-CA 3.28Å; C256-P261 WeakPolarHBondContact O-CA 3.49Å |
| 257 | D | 77.7 | Confident | 70.4 | Confident | 133 Ų | 133 | 66 Ų | 66 | 71% | 0.711 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -24.9 | -178.5 | -55.3 | -29.3 | 0 | 0 | 0 | 112.4 | ||
| 258 | V | 78 | Confident | 68.1 | Low | 62 Ų | 62 | 70.4 Ų | 70.4 | 38% | 0.376 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -46.1 | -171.1 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | P41 K254 | P41-V258 HydrophobicContact CG-CG1 4.44Å; K254-V258 HydrophobicContact CB-CB 4.32Å; K254-V258 HydrophobicContact CB-CG2 4.04Å; K254-V258 HydrophobicContact CG-CG2 4.36Å; K254-V258 WeakPolarHBondContact O-CB 3.31Å; K254-V258 PolarHBondContact O-N 2.99Å |
| 259 | Y | 78.8 | Confident | 65.9 | Low | 11 Ų | 11 | 77 Ų | 77 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -45.9 | -168.1 | -65.5 | -65.9 | 0 | 0 | 0 | 113.6 | P41 T44 L113 Y244 L246 K254 | P41-Y259 WeakPolarHBondContact CD-OH 3.16Å; P41-Y259 HydrophobicContact CG-CE1 4.49Å; P41-Y259 WeakPolarHBondContact CG-OH 3.33Å; T44-Y259 HydrophobicContact CG2-CE1 3.8Å; T44-Y259 PolarHBondContact OG1-OH 3.16Å; T44-Y259 VanDerWaalsContact OG1-OH 3.1Å; L113-Y259 HydrophobicContact CD2-CD2 3.49Å; L113-Y259 VanDerWaalsContact CD2-CD2 3.49Å; L113-Y259 HydrophobicContact CD2-CE2 3.99Å; L113-Y259 HydrophobicContact CD2-CG 4.14Å; Y244-Y259 HydrophobicContact CD1-CD1 4.46Å; Y244-Y259 AromaticContact CD2-CD1 3.72Å; Y244-Y259 HydrophobicContact CD2-CD1 3.72Å; Y244-Y259 AromaticContact CD2-CG 3.96Å; Y244-Y259 HydrophobicContact CD2-CG 3.96Å; Y244-Y259 AromaticContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CG 4.16Å; Y244-Y259 HydrophobicContact CG-CD1 4.08Å; L246-Y259 HydrophobicContact CD1-CE2 4.44Å; L246-Y259 HydrophobicContact CD2-CE2 3.71Å; K254-Y259 HydrophobicContact CB-CD2 4.23Å; K254-Y259 HydrophobicContact CB-CE2 3.92Å; K254-Y259 WeakPolarHBondContact O-CD2 3.43Å; K254-Y259 PolarHBondContact O-N 2.93Å |
| 260 | S | 81.2 | Confident | 63.8 | Low | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -135.1 | 74.3 | 178.5 | -150.1 | 0 | 0 | 0 | 0 | 111 | R65 T115 R192 D242 Q255 | R65-S260 PolarHBondContact NH2-O 3.32Å; R65-S260 PolarHBondContact NH2-OG 2.87Å; T115-S260 WeakPolarHBondContact OG1-CB 3.48Å; T115-S260 PolarHBondContact OG1-OG 2.85Å; T115-S260 VanDerWaalsContact OG1-OG 3.06Å; R192-S260 WeakPolarHBondContact CD-O 3.47Å; R192-S260 PolarHBondContact NH1-O 2.81Å; D242-S260 WeakPolarHBondContact OD2-CB 3.43Å; D242-S260 PolarHBondContact OD2-OG 3.13Å; Q255-S260 PolarHBondContact O-N 3.2Å |
| 261 | P | 78.6 | Confident | 61.7 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 167.3 | -179.8 | 26.2 | -34.8 | 0 | 0 | 0 | 113.8 | R65 R192 C256 | R65-P261 PolarHBondContact NH1-O 3.29Å; R65-P261 PolarHBondContact NH2-O 3.43Å; R192-P261 PolarHBondContact NH1-O 2.95Å; C256-P261 VanDerWaalsContact O-CA 3.28Å; C256-P261 WeakPolarHBondContact O-CA 3.49Å |
| 262 | N | 77.3 | Confident | 60 | Low | 83 Ų | 83 | 88 Ų | 88 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 152.9 | 169.8 | -67.9 | -9.6 | 0 | 0 | 0 | 110.2 | R192 D266 | R192-N262 VanDerWaalsContact CZ-OD1 3.31Å; R192-N262 PolarHBondContact NH1-OD1 2.91Å; R192-N262 PolarHBondContact NH2-OD1 3.16Å; N262-D266 HydrophobicContact CB-CB 4.2Å |
| 263 | C | 77.6 | Confident | 58 | Low | 18 Ų | 18 | 91 Ų | 91 | 12% | 0.122 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 150.1 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | C66 D265 D266 | C66-C263 WeakPolarHBondContact CA-SG 3.42Å; C66-C263 HydrophobicContact CB-CB 3.84Å; C66-C263 WeakPolarHBondContact CB-SG 3.41Å; C66-C263 WeakPolarHBondContact SG-CA 3.46Å; C66-C263 WeakPolarHBondContact SG-CB 3.17Å; C66-C263 CovalentContact SG-SG 2.04Å; C66-C263 PolarHBondContact SG-SG 2.94Å; C263-D265 PolarHBondContact O-N 3.08Å; C263-D265 VanDerWaalsContact O-N 3.13Å; C263-D266 PolarHBondContact N-OD2 2.93Å; C263-D266 WeakPolarHBondContact O-CB 3.46Å; C263-D266 PolarHBondContact O-N 3.21Å |
| 264 | L | 58.5 | Low | 55.9 | Low | 115 Ų | 115 | 92.5 Ų | 92.5 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -62 | -25 | -173.3 | -78 | 160.6 | 0 | 0 | 0 | 113.4 | Q267 | L264-Q267 PolarHBondContact O-N 3.13Š|
| 265 | D | 48.5 | Very low | 53.7 | Low | 115 Ų | 115 | 97.1 Ų | 97.1 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -72.2 | -24.2 | 173.9 | -63.3 | -40.9 | 0 | 0 | 0 | 113.6 | C263 Q267 M268 | C263-D265 PolarHBondContact O-N 3.08Å; C263-D265 VanDerWaalsContact O-N 3.13Å; D265-Q267 PolarHBondContact O-N 2.96Å; D265-M268 PolarHBondContact O-N 3.42Å |
| 266 | D | 43.4 | Very low | 51.4 | Low | 92 Ų | 92 | 104.7 Ų | 104.7 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -68.5 | -17 | 173.4 | -64.6 | -42.1 | 0 | 0 | 0 | 111.7 | N262 C263 | N262-D266 HydrophobicContact CB-CB 4.2Å; C263-D266 PolarHBondContact N-OD2 2.93Å; C263-D266 WeakPolarHBondContact O-CB 3.46Å; C263-D266 PolarHBondContact O-N 3.21Å |
| 267 | Q | 34.5 | Very low | 49.2 | Very low | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -89 | -4.4 | 179 | -66.1 | -172.3 | -18.9 | 0 | 0 | 113.6 | L264 D265 | L264-Q267 PolarHBondContact O-N 3.13Å; D265-Q267 PolarHBondContact O-N 2.96Å |
| 268 | M | 29.4 | Very low | 47.2 | Very low | 164 Ų | 164 | 111.4 Ų | 111.4 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99.1 | -2.4 | 174 | -73.5 | -72.1 | -73 | 0 | 0 | 113.3 | D265 | D265-M268 PolarHBondContact O-N 3.42Š|
| 269 | M | 27.4 | Very low | 45.3 | Very low | 162 Ų | 162 | 113 Ų | 113 | 80% | 0.798 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -113.9 | 100.6 | 171.5 | -67 | -68.9 | -89.7 | 0 | 0 | 108.7 | ||
| 270 | G | 26.9 | Very low | 43 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 131.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E272 | G270-E272 PolarHBondContact O-N 2.65Š| ||
| 271 | D | 26.4 | Very low | 40.5 | Very low | 166 Ų | 166 | 129 Ų | 129 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | 9.8 | 91.1 | 138 | -156.3 | 16.9 | 0 | 0 | 0 | 117.2 | ||||
| 272 | E | 33.3 | Very low | 38.3 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 91% | 0.907 | 71% | 0.707 | S | S | * | * | trans | -137.5 | 116.9 | 151.2 | -84 | -154.6 | 137 | 0 | 0 | 112 | G270 | G270-E272 PolarHBondContact O-N 2.65Š| ||
| 273 | G | 30.5 | Very low | 36.1 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | 83.6 | 90.1 | 121.4 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 274 | D | 30.6 | Very low | 34 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 127.9 | 158.5 | -177.8 | 33.4 | 0 | 0 | 0 | 112.1 | ||||
| 275 | K | 30.6 | Very low | 33 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -174.7 | 147.4 | 149.6 | -106.6 | 156.4 | -168.7 | 173.9 | 0 | 114.8 | ||||
| 276 | D | 31.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -56.1 | 129.1 | 174.5 | -69.6 | -63.4 | 0 | 0 | 0 | 114.1 | ||||
| 277 | T | 32.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -165.3 | 127.8 | 136.4 | 15.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 278 | D | 36.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -56.7 | 139.7 | 145.1 | -150.5 | 16.4 | 0 | 0 | 0 | 106.5 | ||||
| 279 | P | 37.4 | Very low | 33.2 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | -157.3 | -155.6 | 50 | 42 | -17.5 | 0 | 0 | 0 | 115.8 | |||||
| 280 | M | 29.8 | Very low | 34 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 97.3 | 153.1 | -72.8 | 177.1 | 73.1 | 0 | 0 | 118.1 | G282 | M280-G282 VanDerWaalsContact C-N 3.3Å; M280-G282 PolarHBondContact O-N 2.88Å | ||
| 281 | Q | 29.6 | Very low | 35 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -42.3 | 97.8 | 132.3 | -171.4 | 171.9 | 37.7 | 0 | 0 | 109.7 | ||||
| 282 | G | 31.6 | Very low | 36.1 | Very low | 46 Ų | 46 | 126 Ų | 126 | 47% | 0.474 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 152.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M280 A284 | M280-G282 VanDerWaalsContact C-N 3.3Å; M280-G282 PolarHBondContact O-N 2.88Å; G282-A284 PolarHBondContact O-N 2.99Å |
| 283 | P | 32 | Very low | 36.9 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 138.8 | 176.7 | 26.5 | -34 | 0 | 0 | 0 | 108.6 | G285 | P283-G285 PolarHBondContact O-N 3.26Š|
| 284 | A | 34 | Very low | 38 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 117.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G282 S286 | G282-A284 PolarHBondContact O-N 2.99Å; A284-S286 PolarHBondContact O-N 3.22Å |
| 285 | G | 36.4 | Very low | 38.9 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 130.5 | 170 | 0 | 0 | 0 | 0 | 0 | 107.1 | P283 M287 | P283-G285 PolarHBondContact O-N 3.26Å; G285-M287 PolarHBondContact O-N 3.19Å |
| 286 | S | 38.2 | Very low | 39.5 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -43.8 | 119 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | A284 G288 | A284-S286 PolarHBondContact O-N 3.22Å; S286-G288 PolarHBondContact O-N 3Å | ||
| 287 | M | 41.6 | Very low | 40.3 | Very low | 159 Ų | 159 | 118.3 Ų | 118.3 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -52 | 108.6 | 172.7 | -171.9 | 177.6 | -146.7 | 0 | 0 | 105.1 | G285 D289 | G285-M287 PolarHBondContact O-N 3.19Å; M287-D289 PolarHBondContact O-N 2.92Å | ||
| 288 | G | 41.1 | Very low | 40.9 | Very low | 60 Ų | 60 | 120.1 Ų | 120.1 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | trans | -54.4 | 133.9 | -180 | 0 | 0 | 0 | 0 | 0 | 106.7 | S286 I290 | S286-G288 PolarHBondContact O-N 3Å; G288-I290 PolarHBondContact O-N 2.86Å | ||
| 289 | D | 40.2 | Very low | 41.5 | Very low | 160 Ų | 160 | 119 Ų | 119 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | -43.3 | 122.9 | -176 | -72.1 | -49.6 | 0 | 0 | 0 | 108.4 | M287 G291 | M287-D289 PolarHBondContact O-N 2.92Å; D289-G291 PolarHBondContact O-N 3Å | ||
| 290 | I | 44.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -54.3 | 110.2 | 175.7 | -67.6 | 173.3 | 0 | 0 | 0 | 104.7 | G288 | G288-I290 PolarHBondContact O-N 2.86Š| ||
| 291 | G | 47.4 | Very low | 42.3 | Very low | 51 Ų | 51 | 118.3 Ų | 118.3 | 53% | 0.526 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -50 | 136.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108 | D289 | D289-G291 PolarHBondContact O-N 3Š|
| 292 | P | 48.8 | Very low | 42.4 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -48 | 131.4 | -174.1 | 20.1 | -32.8 | 0 | 0 | 0 | 108.4 | G294 | P292-G294 PolarHBondContact O-N 2.73Š|
| 293 | P | 51.6 | Low | 42.7 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 116 | -175.4 | -29.7 | 34.4 | 0 | 0 | 0 | 109 | D295 | P293-D295 PolarHBondContact O-N 3.04Š|
| 294 | G | 52.5 | Low | 42.9 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 132.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P292 K296 | P292-G294 PolarHBondContact O-N 2.73Å; G294-K296 PolarHBondContact O-N 3.04Å; G294-K296 VanDerWaalsContact O-N 3.17Å |
| 295 | D | 48.9 | Very low | 42.9 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -44.3 | 126.9 | -172.9 | -75 | -47.4 | 0 | 0 | 0 | 109.6 | P293 G297 | P293-D295 PolarHBondContact O-N 3.04Å; D295-G297 PolarHBondContact O-N 3.3Å | ||
| 296 | K | 44.4 | Very low | 42.9 | Very low | 208 Ų | 208 | 122.8 Ų | 122.8 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -57.9 | 104.2 | -175.9 | -172.4 | -179 | -173.8 | -180 | 0 | 107.4 | G294 E298 | G294-K296 PolarHBondContact O-N 3.04Å; G294-K296 VanDerWaalsContact O-N 3.17Å; K296-E298 PolarHBondContact O-N 2.04Å | ||
| 297 | G | 46.8 | Very low | 42.7 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | -48.9 | 137 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D295 | D295-G297 PolarHBondContact O-N 3.3Š| ||
| 298 | E | 47.2 | Very low | 42.4 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -47.3 | 131.6 | -175.6 | -67.6 | -170.3 | 147.1 | 0 | 0 | 110 | K296 G300 | K296-E298 PolarHBondContact O-N 2.04Å; E298-G300 PolarHBondContact O-N 2.92Å | ||
| 299 | P | 47 | Very low | 42.1 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -53.8 | 113.3 | 172.2 | -23.9 | 33.6 | 0 | 0 | 0 | 108.4 | L301 | P299-L301 PolarHBondContact O-N 2.94Š| ||
| 300 | G | 43.7 | Very low | 41.7 | Very low | 65 Ų | 65 | 121 Ų | 121 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 125.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | E298 N302 | E298-G300 PolarHBondContact O-N 2.92Å; G300-N302 PolarHBondContact O-N 2.64Å; G300-N302 VanDerWaalsContact O-N 3.15Å | ||
| 301 | L | 42.3 | Very low | 41.5 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -51.5 | 121 | 177.7 | -79.9 | 159.1 | 0 | 0 | 0 | 109.7 | P299 G303 | P299-L301 PolarHBondContact O-N 2.94Å; L301-G303 PolarHBondContact O-N 3.05Å | ||
| 302 | N | 30.7 | Very low | 40.8 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 83.2 | 172.4 | -84.4 | -25.8 | 0 | 0 | 0 | 109.7 | G300 | G300-N302 PolarHBondContact O-N 2.64Å; G300-N302 VanDerWaalsContact O-N 3.15Å | ||
| 303 | G | 38.2 | Very low | 40.2 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -91.6 | 109.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L301 | L301-G303 PolarHBondContact O-N 3.05Š| ||
| 304 | S | 36.7 | Very low | 39.7 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -75.6 | 122.3 | 174.4 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 305 | S | 33.6 | Very low | 38.8 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 48.9 | 105.9 | 146.7 | 62.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 306 | V | 35.7 | Very low | 38.3 | Very low | 160 Ų | 160 | 119 Ų | 119 | 97% | 0.97 | 79% | 0.792 | S | S | * | * | -143.5 | 156.2 | 126 | -168 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 307 | A | 34.9 | Very low | 37.8 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -101.5 | 142.1 | -158.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 308 | A | 34.4 | Very low | 37.2 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 48.3 | 136.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 309 | G | 34.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -119.6 | 147.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 310 | E | 32.7 | Very low | 36.9 | Very low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 150.6 | -169 | -63.1 | -172.3 | 135 | 0 | 0 | 115.1 | ||
| 311 | P | 38.8 | Very low | 37 | Very low | 125 Ų | 125 | 114 Ų | 114 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 139.4 | 155.2 | 7.2 | 12.4 | 0 | 0 | 0 | 112 | ||
| 312 | G | 34.7 | Very low | 37.4 | Very low | 65 Ų | 65 | 111.9 Ų | 111.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 161.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | P314 | G312-P314 WeakPolarHBondContact O-CD 3.11Š|
| 313 | P | 34.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 107 Ų | 107 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -84 | 127 | -165.1 | 31.6 | -34.8 | 0 | 0 | 0 | 114.3 | ||
| 314 | P | 41.6 | Very low | 38.6 | Very low | 104 Ų | 104 | 106 Ų | 106 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 149.9 | 160.9 | -8.3 | 26.9 | 0 | 0 | 0 | 111.2 | G312 | G312-P314 WeakPolarHBondContact O-CD 3.11Š|
| 315 | G | 32.4 | Very low | 38.8 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 163.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M317 | G315-M317 PolarHBondContact O-N 3.46Š|
| 316 | P | 38.7 | Very low | 39.4 | Very low | 138 Ų | 138 | 102.1 Ų | 102.1 | 90% | 0.896 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 116.4 | -174.1 | 30 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 317 | M | 35.6 | Very low | 39.9 | Very low | 183 Ų | 183 | 97.8 Ų | 97.8 | 90% | 0.901 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 128.6 | 159.1 | -65.6 | -156.8 | -64.2 | 0 | 0 | 109.4 | G315 S319 | G315-M317 PolarHBondContact O-N 3.46Å; M317-S319 PolarHBondContact O-N 3.03Å |
| 318 | G | 33.1 | Very low | 40.2 | Very low | 84 Ų | 84 | 96 Ų | 96 | 87% | 0.866 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 119.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 319 | S | 48.2 | Very low | 40.1 | Very low | 54 Ų | 54 | 96.5 Ų | 96.5 | 38% | 0.378 | 62% | 0.618 | S | S | . | * | trans | -87.6 | 109.9 | 176.9 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | M317 | M317-S319 PolarHBondContact O-N 3.03Š| ||
| 320 | L | 40.3 | Very low | 40.2 | Very low | 148 Ų | 148 | 95.1 Ų | 95.1 | 78% | 0.775 | 60% | 0.604 | S | S | * | * | trans | -78.8 | 123 | 168.1 | -174.9 | 70 | 0 | 0 | 0 | 109.5 | I322 | L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.17Å | ||
| 321 | F | 45.9 | Very low | 40.2 | Very low | 65 Ų | 65 | 92.5 Ų | 92.5 | 29% | 0.285 | 61% | 0.606 | S | S | . | * | trans | -88.6 | 116.6 | 173.4 | -166.5 | -139.8 | 0 | 0 | 0 | 110.3 | I323 L343 L344 H347 | F321-I323 HydrophobicContact CD1-CD1 4.2Å; F321-I323 HydrophobicContact CD1-CG1 3.86Å; F321-I323 HydrophobicContact CE1-CD1 3.74Å; F321-I323 HydrophobicContact CE1-CG1 3.43Å; F321-I323 VanDerWaalsContact CE1-CG1 3.43Å; F321-I323 HydrophobicContact CZ-CD1 4.49Å; F321-I323 HydrophobicContact CZ-CG1 3.83Å; F321-L343 HydrophobicContact CE2-CD2 4.24Å; F321-L343 HydrophobicContact CE2-CG 4.34Å; F321-L343 HydrophobicContact CZ-CD2 4.46Å; F321-L344 HydrophobicContact CE1-CD1 3.91Å; F321-L344 HydrophobicContact CZ-CD1 4.04Å; F321-H347 WeakPolarHBondContact CB-NE2 3.39Å; F321-H347 AromaticContact CD1-CD2 3.93Å; F321-H347 HydrophobicContact CD2-CB 3.63Å; F321-H347 AromaticContact CD2-CD2 3.57Å; F321-H347 AromaticContact CD2-CE1 3.97Å; F321-H347 AromaticContact CD2-CG 3.21Å; F321-H347 AromaticContact CD2-ND1 3.49Å; F321-H347 WeakPolarHBondContact CD2-ND1 2.96Å; F321-H347 HydrophobicContact CE2-CB 3.42Å; F321-H347 VanDerWaalsContact CE2-CB 3.42Å; F321-H347 AromaticContact CE2-CG 3.58Å; F321-H347 HydrophobicContact CG-CB 4.43Å; F321-H347 AromaticContact CG-CD2 3.5Å; F321-H347 AromaticContact CG-CE1 3.99Å; F321-H347 AromaticContact CG-CG 3.68Å; F321-H347 AromaticContact CG-ND1 3.97Å; F321-H347 AromaticContact CG-NE2 3.73Å; F321-H347 HydrophobicContact CZ-CB 4.06Å | ||
| 322 | I | 49.2 | Very low | 40.6 | Very low | 125 Ų | 125 | 89.5 Ų | 89.5 | 64% | 0.641 | 59% | 0.588 | S | S | * | * | trans | -112 | 117 | 171.4 | -59.2 | 179.1 | 0 | 0 | 0 | 107.6 | L320 P324 | L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.17Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å | ||
| 323 | I | 49.8 | Very low | 41.2 | Very low | 71 Ų | 71 | 90.9 Ų | 90.9 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | trans | -87.4 | 115.7 | 174.5 | -59.6 | 168.7 | 0 | 0 | 0 | 107.9 | F321 L325 F340 | F321-I323 HydrophobicContact CD1-CD1 4.2Å; F321-I323 HydrophobicContact CD1-CG1 3.86Å; F321-I323 HydrophobicContact CE1-CD1 3.74Å; F321-I323 HydrophobicContact CE1-CG1 3.43Å; F321-I323 VanDerWaalsContact CE1-CG1 3.43Å; F321-I323 HydrophobicContact CZ-CD1 4.49Å; F321-I323 HydrophobicContact CZ-CG1 3.83Å; I323-L325 HydrophobicContact CG2-CD2 4.3Å; I323-L325 PolarHBondContact O-N 3.41Å; I323-F340 HydrophobicContact CD1-CE2 4.26Å; I323-F340 HydrophobicContact CG2-CD2 4.42Å; I323-F340 HydrophobicContact CG2-CE2 4.02Å | ||
| 324 | P | 44.3 | Very low | 41.9 | Very low | 53 Ų | 53 | 93.6 Ų | 93.6 | 34% | 0.344 | 59% | 0.587 | S | S | . | * | trans | -76.8 | 114.7 | 175.6 | 29.9 | -32.4 | 0 | 0 | 0 | 110.6 | Y58 I322 N326 L343 | Y58-P324 HydrophobicContact CE1-CB 4.22Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-N326 PolarHBondContact O-N 3.15Å; P324-L343 HydrophobicContact CG-CD2 4.32Å | ||
| 325 | L | 42.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 91 Ų | 91 | 44% | 0.44 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -84.2 | -3.5 | -170.5 | -66.2 | 160 | 0 | 0 | 0 | 115.7 | Y58 I323 R1448 L1474 | Y58-L325 WeakPolarHBondContact OH-CB 3.27Å; Y58-L325 PolarHBondContact OH-N 3.23Å; I323-L325 HydrophobicContact CG2-CD2 4.3Å; I323-L325 PolarHBondContact O-N 3.41Å; L325-R1448 PolarHBondContact O-NH2 3.19Å; L325-L1474 HydrophobicContact CB-CD1 3.63Å; L325-L1474 HydrophobicContact CD1-CB 4.04Å; L325-L1474 HydrophobicContact CD1-CD1 3.95Å; L325-L1474 HydrophobicContact CD1-CG 4.48Å; L325-L1474 HydrophobicContact CD2-CD1 4.32Å; L325-L1474 HydrophobicContact CG-CD1 4.16Å |
| 326 | N | 46 | Very low | 43.5 | Very low | 50 Ų | 50 | 93.3 Ų | 93.3 | 27% | 0.267 | 56% | 0.564 | S | S | . | * | trans | -109.2 | 74 | 164.1 | -68.4 | -31.7 | 0 | 0 | 0 | 111.3 | Y58 P324 G328 R1448 | Y58-N326 HydrophobicContact CD1-CB 3.56Å; Y58-N326 HydrophobicContact CD2-CB 4.07Å; Y58-N326 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N326 HydrophobicContact CE1-CB 3.48Å; Y58-N326 VanDerWaalsContact CE1-CB 3.48Å; Y58-N326 HydrophobicContact CE2-CB 3.98Å; Y58-N326 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N326 HydrophobicContact CG-CB 3.86Å; Y58-N326 PolarHBondContact OH-N 2.81Å; P324-N326 PolarHBondContact O-N 3.15Å; N326-G328 PolarHBondContact O-N 3.5Å; N326-R1448 PolarHBondContact OD1-NH2 3.05Å | ||
| 327 | L | 45 | Very low | 44.5 | Very low | 69 Ų | 69 | 88.9 Ų | 88.9 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | trans | -68.9 | 109.4 | 150.2 | -80 | 156.3 | 0 | 0 | 0 | 107.5 | R336 | L327-R336 HydrophobicContact CB-CG 4.15Å; L327-R336 PolarHBondContact O-NE 3.13Å; L327-R336 PolarHBondContact O-NH2 3.16Å | ||
| 328 | G | 42.8 | Very low | 45.7 | Very low | 54 Ų | 54 | 83 Ų | 83 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | trans | -50.2 | 166.4 | -154.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | N326 G330 R336 | N326-G328 PolarHBondContact O-N 3.5Å; G328-G330 PolarHBondContact O-N 2.88Å; G328-R336 PolarHBondContact O-NH2 2.83Å | ||
| 329 | V | 32.5 | Very low | 47.2 | Very low | 113 Ų | 113 | 81.9 Ų | 81.9 | 69% | 0.685 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -69.9 | 88.4 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | L1559 | V329-L1559 HydrophobicContact CG1-CD2 4.2Å; V329-L1559 HydrophobicContact CG2-CD1 4.19Å; V329-L1559 HydrophobicContact CG2-CD2 4.09Å |
| 330 | G | 36.4 | Very low | 48.1 | Very low | 48 Ų | 48 | 83.3 Ų | 83.3 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | trans | -149.4 | 138.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G328 S332 | G328-G330 PolarHBondContact O-N 2.88Å; G330-S332 PolarHBondContact O-N 2.96Å | ||
| 331 | S | 32.5 | Very low | 49.3 | Very low | 130 Ų | 130 | 84.9 Ų | 84.9 | 91% | 0.909 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -82.2 | 79.9 | -165.3 | 52.5 | 0 | 0 | 0 | 0 | 114 | ||
| 332 | S | 45.7 | Very low | 50.4 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | trans | -164.2 | 131.2 | 144.5 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | G330 F334 A335 | G330-S332 PolarHBondContact O-N 2.96Å; S332-F334 VanDerWaalsContact C-N 3.25Å; S332-F334 PolarHBondContact O-N 2.99Å; S332-A335 PolarHBondContact O-N 2.71Å; S332-A335 VanDerWaalsContact OG-CB 3.24Å; S332-A335 WeakPolarHBondContact OG-CB 3.43Å | ||
| 333 | S | 47.2 | Very low | 51.4 | Low | 94 Ų | 94 | 82.4 Ų | 82.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -32 | 173.6 | 45 | 0 | 0 | 0 | 0 | 112.3 | R336 A337 | S333-R336 PolarHBondContact O-N 3.36Å; S333-A337 PolarHBondContact O-N 3.47Å |
| 334 | F | 50.8 | Low | 52.3 | Low | 176 Ų | 176 | 82 Ų | 82 | 77% | 0.772 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 176.7 | -91.5 | -92.6 | 0 | 0 | 0 | 113.6 | S332 R336 A337 A338 | S332-F334 VanDerWaalsContact C-N 3.25Å; S332-F334 PolarHBondContact O-N 2.99Å; F334-R336 PolarHBondContact O-N 2.87Å; F334-A337 PolarHBondContact O-N 3.2Å; F334-A338 VanDerWaalsContact O-CB 3.3Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.93Å |
| 335 | A | 52.4 | Low | 53.4 | Low | 50 Ų | 50 | 85.3 Ų | 85.3 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S332 A338 T339 | S332-A335 PolarHBondContact O-N 2.71Å; S332-A335 VanDerWaalsContact OG-CB 3.24Å; S332-A335 WeakPolarHBondContact OG-CB 3.43Å; A335-A338 PolarHBondContact O-N 3.18Å; A335-T339 PolarHBondContact O-N 3.2Å; A335-T339 PolarHBondContact O-OG1 3.34Å |
| 336 | R | 55.1 | Low | 54.5 | Low | 109 Ų | 109 | 87 Ų | 87 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 174.5 | -68.2 | -174.3 | 178.8 | 145.3 | 0.8 | 112.3 | L327 G328 S333 F334 T339 F340 | L327-R336 HydrophobicContact CB-CG 4.15Å; L327-R336 PolarHBondContact O-NE 3.13Å; L327-R336 PolarHBondContact O-NH2 3.16Å; G328-R336 PolarHBondContact O-NH2 2.83Å; S333-R336 PolarHBondContact O-N 3.36Å; F334-R336 PolarHBondContact O-N 2.87Å; R336-T339 WeakPolarHBondContact CA-OG1 3.41Å; R336-T339 PolarHBondContact O-OG1 3.36Å; R336-F340 WeakPolarHBondContact O-CB 3.17Å; R336-F340 PolarHBondContact O-N 3.07Å |
| 337 | A | 59.3 | Low | 55.3 | Low | 44 Ų | 44 | 86 Ų | 86 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S333 F334 R341 | S333-A337 PolarHBondContact O-N 3.47Å; F334-A337 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.38Å |
| 338 | A | 61.3 | Low | 56.2 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F334 A335 R341 D342 | F334-A338 VanDerWaalsContact O-CB 3.3Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.93Å; A335-A338 PolarHBondContact O-N 3.18Å; A338-R341 PolarHBondContact O-N 3.22Å; A338-D342 WeakPolarHBondContact O-CB 3.38Å; A338-D342 PolarHBondContact O-N 3.37Å |
| 339 | T | 64.9 | Low | 57 | Low | 62 Ų | 62 | 90.4 Ų | 90.4 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 175.7 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | A335 R336 D342 L343 | A335-T339 PolarHBondContact O-N 3.2Å; A335-T339 PolarHBondContact O-OG1 3.34Å; R336-T339 WeakPolarHBondContact CA-OG1 3.41Å; R336-T339 PolarHBondContact O-OG1 3.36Å; T339-D342 PolarHBondContact O-N 2.92Å; T339-L343 WeakPolarHBondContact O-CB 3.37Å; T339-L343 PolarHBondContact O-N 2.79Å |
| 340 | F | 66.3 | Low | 58.4 | Low | 84 Ų | 84 | 88.5 Ų | 88.5 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 171 | -177 | -102.5 | 0 | 0 | 0 | 111.8 | I323 R336 L343 L344 | I323-F340 HydrophobicContact CD1-CE2 4.26Å; I323-F340 HydrophobicContact CG2-CD2 4.42Å; I323-F340 HydrophobicContact CG2-CE2 4.02Å; R336-F340 WeakPolarHBondContact O-CB 3.17Å; R336-F340 PolarHBondContact O-N 3.07Å; F340-L343 PolarHBondContact O-N 3.37Å; F340-L344 HydrophobicContact CE1-CD2 4.46Å; F340-L344 HydrophobicContact CZ-CD1 4.31Å; F340-L344 WeakPolarHBondContact O-CB 3.29Å; F340-L344 PolarHBondContact O-N 3.07Å |
| 341 | R | 66.5 | Low | 59 | Low | 181 Ų | 181 | 91 Ų | 91 | 68% | 0.683 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -42 | 173.6 | -85.4 | -175.3 | 168.7 | 126 | -0.5 | 112.6 | A337 A338 L344 Q345 | A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.38Å; A338-R341 PolarHBondContact O-N 3.22Å; R341-L344 PolarHBondContact O-N 3.34Å; R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.46Å |
| 342 | D | 69 | Low | 59.9 | Low | 72 Ų | 72 | 92.8 Ų | 92.8 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.9 | 178.2 | 55.7 | 0 | 0 | 0 | 111.8 | A338 T339 Q345 K346 | A338-D342 WeakPolarHBondContact O-CB 3.38Å; A338-D342 PolarHBondContact O-N 3.37Å; T339-D342 PolarHBondContact O-N 2.92Å; D342-Q345 PolarHBondContact O-N 2.81Å; D342-K346 VanDerWaalsContact CG-NZ 3.28Å; D342-K346 VanDerWaalsContact O-CB 3.32Å; D342-K346 WeakPolarHBondContact O-CB 3.09Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.23Å; D342-K346 PolarHBondContact O-N 3.01Å; D342-K346 WeakPolarHBondContact OD1-CE 3.46Å; D342-K346 IonicContact OD1-NZ 3.66Å; D342-K346 PolarHBondContact OD1-NZ 2.98Å; D342-K346 VanDerWaalsContact OD1-NZ 3.12Å; D342-K346 WeakPolarHBondContact OD2-CE 3.2Å; D342-K346 IonicContact OD2-NZ 3.7Å; D342-K346 PolarHBondContact OD2-NZ 3.16Å |
| 343 | L | 69.2 | Low | 60 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.4 | -159.2 | 82.2 | 0 | 0 | 0 | 111.8 | F321 P324 T339 F340 K346 H347 | F321-L343 HydrophobicContact CE2-CD2 4.24Å; F321-L343 HydrophobicContact CE2-CG 4.34Å; F321-L343 HydrophobicContact CZ-CD2 4.46Å; P324-L343 HydrophobicContact CG-CD2 4.32Å; T339-L343 WeakPolarHBondContact O-CB 3.37Å; T339-L343 PolarHBondContact O-N 2.79Å; F340-L343 PolarHBondContact O-N 3.37Å; L343-K346 PolarHBondContact O-N 2.98Å; L343-H347 WeakPolarHBondContact O-CB 3.29Å; L343-H347 PolarHBondContact O-N 3.25Å |
| 344 | L | 68.4 | Low | 59.8 | Low | 62 Ų | 62 | 93.9 Ų | 93.9 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.6 | -164.2 | 81.9 | 0 | 0 | 0 | 111.2 | F321 F340 R341 H347 L348 | F321-L344 HydrophobicContact CE1-CD1 3.91Å; F321-L344 HydrophobicContact CZ-CD1 4.04Å; F340-L344 HydrophobicContact CE1-CD2 4.46Å; F340-L344 HydrophobicContact CZ-CD1 4.31Å; F340-L344 WeakPolarHBondContact O-CB 3.29Å; F340-L344 PolarHBondContact O-N 3.07Å; R341-L344 PolarHBondContact O-N 3.34Å; L344-H347 PolarHBondContact O-N 2.73Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.22Å; L344-L348 WeakPolarHBondContact O-CD1 3.3Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.11Å |
| 345 | Q | 68.4 | Low | 59.3 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.2 | -41.9 | 177.6 | -176.5 | 170.4 | -14.5 | 0 | 0 | 111.3 | R341 D342 H347 L348 L349 | R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.46Å; D342-Q345 PolarHBondContact O-N 2.81Å; Q345-H347 VanDerWaalsContact C-N 3.32Å; Q345-H347 PolarHBondContact O-N 2.75Å; Q345-L348 PolarHBondContact O-N 3.4Å; Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.44Å; Q345-L349 WeakPolarHBondContact O-CD1 3.22Å; Q345-L349 WeakPolarHBondContact O-CG 3.33Å; Q345-L349 PolarHBondContact O-N 2.61Å |
| 346 | K | 64.8 | Low | 58.7 | Low | 120 Ų | 120 | 98.1 Ų | 98.1 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 171.3 | -76.2 | 166.7 | 178 | 164 | 0 | 112 | D342 L343 L349 S350 | D342-K346 VanDerWaalsContact CG-NZ 3.28Å; D342-K346 VanDerWaalsContact O-CB 3.32Å; D342-K346 WeakPolarHBondContact O-CB 3.09Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.23Å; D342-K346 PolarHBondContact O-N 3.01Å; D342-K346 WeakPolarHBondContact OD1-CE 3.46Å; D342-K346 IonicContact OD1-NZ 3.66Å; D342-K346 PolarHBondContact OD1-NZ 2.98Å; D342-K346 VanDerWaalsContact OD1-NZ 3.12Å; D342-K346 WeakPolarHBondContact OD2-CE 3.2Å; D342-K346 IonicContact OD2-NZ 3.7Å; D342-K346 PolarHBondContact OD2-NZ 3.16Å; L343-K346 PolarHBondContact O-N 2.98Å; K346-L349 PolarHBondContact O-N 2.93Å; K346-S350 PolarHBondContact O-N 2.83Å |
| 347 | H | 61.8 | Low | 57.7 | Low | 28 Ų | 28 | 97.9 Ų | 97.9 | 13% | 0.13 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -73.5 | -39.5 | 175.5 | -170.6 | 63.9 | 0 | 0 | 0 | 113.2 | F321 L343 L344 Q345 L349 S350 L351 | F321-H347 WeakPolarHBondContact CB-NE2 3.39Å; F321-H347 AromaticContact CD1-CD2 3.93Å; F321-H347 HydrophobicContact CD2-CB 3.63Å; F321-H347 AromaticContact CD2-CD2 3.57Å; F321-H347 AromaticContact CD2-CE1 3.97Å; F321-H347 AromaticContact CD2-CG 3.21Å; F321-H347 AromaticContact CD2-ND1 3.49Å; F321-H347 WeakPolarHBondContact CD2-ND1 2.96Å; F321-H347 HydrophobicContact CE2-CB 3.42Å; F321-H347 VanDerWaalsContact CE2-CB 3.42Å; F321-H347 AromaticContact CE2-CG 3.58Å; F321-H347 HydrophobicContact CG-CB 4.43Å; F321-H347 AromaticContact CG-CD2 3.5Å; F321-H347 AromaticContact CG-CE1 3.99Å; F321-H347 AromaticContact CG-CG 3.68Å; F321-H347 AromaticContact CG-ND1 3.97Å; F321-H347 AromaticContact CG-NE2 3.73Å; F321-H347 HydrophobicContact CZ-CB 4.06Å; L343-H347 WeakPolarHBondContact O-CB 3.29Å; L343-H347 PolarHBondContact O-N 3.25Å; L344-H347 PolarHBondContact O-N 2.73Å; Q345-H347 VanDerWaalsContact C-N 3.32Å; Q345-H347 PolarHBondContact O-N 2.75Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact O-N 3.19Å; H347-S350 CarbonylContact O-C 3.47Å; H347-S350 WeakPolarHBondContact O-CA 3.37Å; H347-S350 VanDerWaalsContact O-CB 3.32Å; H347-S350 WeakPolarHBondContact O-CB 3.3Å; H347-S350 PolarHBondContact O-N 2.7Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.34Å; H347-L351 WeakPolarHBondContact NE2-CG 3.43Å; H347-L351 PolarHBondContact O-N 3.05Å |
| 348 | L | 64.2 | Low | 56.9 | Low | 104 Ų | 104 | 107.4 Ų | 107.4 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -31.2 | 171.6 | -75.9 | 165.2 | 0 | 0 | 0 | 112.2 | L344 Q345 K352 | L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.22Å; L344-L348 WeakPolarHBondContact O-CD1 3.3Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.11Å; Q345-L348 PolarHBondContact O-N 3.4Å; L348-K352 PolarHBondContact O-N 3.04Å |
| 349 | L | 59.7 | Low | 55.8 | Low | 112 Ų | 112 | 108 Ų | 108 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.5 | -35.7 | 168.5 | -73.7 | 163.2 | 0 | 0 | 0 | 111.8 | Q345 K346 H347 K352 | Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.44Å; Q345-L349 WeakPolarHBondContact O-CD1 3.22Å; Q345-L349 WeakPolarHBondContact O-CG 3.33Å; Q345-L349 PolarHBondContact O-N 2.61Å; K346-L349 PolarHBondContact O-N 2.93Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact O-N 3.19Å; L349-K352 PolarHBondContact O-N 2.94Å |
| 350 | S | 62.5 | Low | 54.2 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.9 | -30 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 113.9 | K346 H347 K352 | K346-S350 PolarHBondContact O-N 2.83Å; H347-S350 CarbonylContact O-C 3.47Å; H347-S350 WeakPolarHBondContact O-CA 3.37Å; H347-S350 VanDerWaalsContact O-CB 3.32Å; H347-S350 WeakPolarHBondContact O-CB 3.3Å; H347-S350 PolarHBondContact O-N 2.7Å; S350-K352 VanDerWaalsContact C-N 3.31Å |
| 351 | L | 49.1 | Very low | 52.8 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -79.9 | -14.3 | 175.3 | -72.3 | 174.4 | 0 | 0 | 0 | 112.8 | H347 G353 | H347-L351 WeakPolarHBondContact NE2-CD1 3.34Å; H347-L351 WeakPolarHBondContact NE2-CG 3.43Å; H347-L351 PolarHBondContact O-N 3.05Å; L351-G353 PolarHBondContact O-N 2.86Å |
| 352 | K | 51.7 | Low | 51.3 | Low | 167 Ų | 167 | 111.1 Ų | 111.1 | 73% | 0.726 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -78.7 | 76 | 176.4 | -162.9 | 173.6 | -172.3 | 176.1 | 0 | 109.7 | L348 L349 S350 | L348-K352 PolarHBondContact O-N 3.04Å; L349-K352 PolarHBondContact O-N 2.94Å; S350-K352 VanDerWaalsContact C-N 3.31Å |
| 353 | G | 47.8 | Very low | 50.1 | Low | 59 Ų | 59 | 116 Ų | 116 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | trans | -50 | 149.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L351 R355 | L351-G353 PolarHBondContact O-N 2.86Å; G353-R355 PolarHBondContact O-N 3.31Å | ||
| 354 | V | 41.8 | Very low | 48.8 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -47.1 | 126.9 | 177.1 | -89.7 | 0 | 0 | 0 | 0 | 110.6 | G356 | V354-G356 PolarHBondContact O-N 3.49Š| ||
| 355 | R | 41.6 | Very low | 47.8 | Very low | 250 Ų | 250 | 119.4 Ų | 119.4 | 94% | 0.943 | 69% | 0.686 | S | S | * | * | trans | -63 | 112.8 | -174.5 | -161.8 | -179.4 | -160.9 | 173.3 | 4.5 | 108.4 | G353 A357 | G353-R355 PolarHBondContact O-N 3.31Å; R355-A357 PolarHBondContact O-N 3.13Å | ||
| 356 | G | 40.2 | Very low | 46.7 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | trans | -56.6 | 136.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V354 R358 | V354-G356 PolarHBondContact O-N 3.49Å; G356-R358 PolarHBondContact O-N 2.83Å | ||
| 357 | A | 34.4 | Very low | 46 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -57.8 | 126.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R355 | R355-A357 PolarHBondContact O-N 3.13Š| ||
| 358 | R | 41.6 | Very low | 45.4 | Very low | 244 Ų | 244 | 125.8 Ų | 125.8 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | -138 | 116.1 | 178.8 | -169.3 | 178.9 | -169.9 | 172.6 | 4.5 | 111.9 | G356 | G356-R358 PolarHBondContact O-N 2.83Š| ||
| 359 | G | 37.7 | Very low | 45.1 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 80.9 | 94.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 360 | M | 32.2 | Very low | 44.9 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -1.1 | 116.8 | 144.7 | -68.3 | 166.6 | 168.8 | 0 | 0 | 117.7 | ||||
| 361 | T | 35.8 | Very low | 44.6 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | 36 | 121 | 139.7 | 54.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 362 | G | 36.5 | Very low | 44.5 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 105.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 363 | I | 42.6 | Very low | 44.7 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | 41.5 | 125 | 159.2 | 19.6 | 175.4 | 0 | 0 | 0 | 121.5 | ||||
| 364 | T | 42.7 | Very low | 44.9 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.9 | 167.9 | -40.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 365 | G | 47.8 | Very low | 45.1 | Very low | 58 Ų | 58 | 128.7 Ų | 128.7 | 60% | 0.598 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 153.3 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 366 | P | 44.1 | Very low | 45 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 152.2 | -169 | 28.8 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 367 | E | 51.2 | Low | 45 | Very low | 197 Ų | 197 | 127 Ų | 127 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.3 | 172.6 | -70.7 | 179 | 123.9 | 0 | 0 | 111.5 | ||
| 368 | G | 48.4 | Very low | 45.2 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 129.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 369 | G | 58.2 | Low | 45.1 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G371 | G369-G371 PolarHBondContact O-N 2.77Š|
| 370 | P | 55.8 | Low | 45.1 | Very low | 133 Ų | 133 | 125 Ų | 125 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 134.5 | 173.7 | -20.2 | 32 | 0 | 0 | 0 | 111.2 | ||
| 371 | G | 56.5 | Low | 45.4 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G369 | G369-G371 PolarHBondContact O-N 2.77Š|
| 372 | E | 45.9 | Very low | 46.2 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 144.9 | 174.1 | -71.5 | -162.2 | 135.1 | 0 | 0 | 111.8 | ||
| 373 | P | 56.9 | Low | 46.4 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.1 | -170.2 | -14.2 | 31.1 | 0 | 0 | 0 | 113.8 | ||
| 374 | G | 52.3 | Low | 46.4 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 131 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 375 | V | 45.6 | Very low | 46.3 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -103.9 | 114.9 | -169.9 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 376 | K | 38.6 | Very low | 46 | Very low | 203 Ų | 203 | 124 Ų | 124 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | 33.2 | 129.5 | 145.9 | -168 | -176.8 | -177.8 | -178.2 | 0 | 121.2 | ||||
| 377 | G | 40.2 | Very low | 45.9 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 166.7 | 131 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 378 | E | 37.8 | Very low | 45.5 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -109.5 | 179.6 | -167.2 | -63.5 | 175.5 | 117.5 | 0 | 0 | 115.6 | ||||
| 379 | V | 40.4 | Very low | 45.6 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 80.7 | 132.1 | 164.7 | -164.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 380 | G | 38.1 | Very low | 45.1 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | -175.7 | -171.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 381 | H | 39 | Very low | 44.8 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | cis | -153.2 | 173.3 | 1.9 | -99.9 | 103 | 0 | 0 | 0 | 108.3 | ||||
| 382 | P | 50.9 | Low | 44.8 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -96.6 | 160.5 | -159.4 | 37.4 | -37.4 | 0 | 0 | 0 | 117.4 | ||||
| 383 | G | 41.3 | Very low | 44.9 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | 169.7 | 140 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 384 | D | 42.2 | Very low | 44.8 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | cis | -139.7 | 159.5 | -5.7 | -86.7 | -42 | 0 | 0 | 0 | 110.6 | G386 | D384-G386 PolarHBondContact O-N 3.26Š| ||
| 385 | T | 41.1 | Very low | 45.1 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 116.7 | -172.3 | -49.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 386 | G | 42.1 | Very low | 45.3 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -106.8 | 94.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D384 | D384-G386 PolarHBondContact O-N 3.26Š| ||
| 387 | Y | 41.9 | Very low | 46 | Very low | 224 Ų | 224 | 128 Ų | 128 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | 23.3 | 113.2 | 164.6 | -61.4 | -78.5 | 0 | 0 | 0 | 120.7 | G389 | Y387-G389 PolarHBondContact O-N 3.22Š| ||
| 388 | Q | 43 | Very low | 46.4 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129 | 161.1 | -85.6 | -180 | -29.3 | 0 | 0 | 112.3 | ||
| 389 | G | 51 | Low | 46.7 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76 | 148.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y387 | Y387-G389 PolarHBondContact O-N 3.22Š|
| 390 | P | 45.9 | Very low | 46.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.3 | -174.9 | 27.7 | -34.5 | 0 | 0 | 0 | 112.5 | G392 | P390-G392 PolarHBondContact O-N 3.37Š|
| 391 | R | 51.2 | Low | 47.2 | Very low | 231 Ų | 231 | 133.9 Ų | 133.9 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57 | 121.3 | 174.1 | -177.6 | 179 | -178.3 | 178.3 | 1.7 | 110.7 | ||
| 392 | G | 55.5 | Low | 47.4 | Very low | 55 Ų | 55 | 131.4 Ų | 131.4 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 150.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | P390 M394 | P390-G392 PolarHBondContact O-N 3.37Å; G392-M394 PolarHBondContact O-N 3.16Å |
| 393 | P | 47.5 | Very low | 46.9 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.5 | -178.2 | 26.3 | -33.8 | 0 | 0 | 0 | 111.1 | G395 | P393-G395 PolarHBondContact O-N 2.73Š|
| 394 | M | 55.1 | Low | 47.1 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.8 | 174.6 | -175.1 | 171.2 | 70.8 | 0 | 0 | 109.4 | G392 | G392-M394 PolarHBondContact O-N 3.16Š|
| 395 | G | 57.9 | Low | 47.5 | Very low | 53 Ų | 53 | 128.9 Ų | 128.9 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 148.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P393 | P393-G395 PolarHBondContact O-N 2.73Š|
| 396 | P | 51.1 | Low | 47.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.9 | 176.9 | 25.6 | -33.8 | 0 | 0 | 0 | 109.9 | G398 | P396-G398 PolarHBondContact O-N 2.65Š|
| 397 | P | 53.5 | Low | 47.4 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125.8 | -179.4 | -26.6 | 34.5 | 0 | 0 | 0 | 111.5 | R399 | P397-R399 PolarHBondContact O-N 3.46Š|
| 398 | G | 47.4 | Very low | 47.4 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 136.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P396 Q400 | P396-G398 PolarHBondContact O-N 2.65Å; G398-Q400 PolarHBondContact O-N 3.38Å |
| 399 | R | 45.1 | Very low | 47.3 | Very low | 250 Ų | 250 | 124.4 Ų | 124.4 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.1 | -179 | -81.7 | -177.1 | 172.3 | -178.7 | -2.3 | 110.2 | P397 G401 | P397-R399 PolarHBondContact O-N 3.46Å; R399-G401 PolarHBondContact O-N 3.2Å; R399-G401 VanDerWaalsContact O-N 3.08Å |
| 400 | Q | 43.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -53 | 111.9 | 179.8 | -166.9 | 171.1 | 9.8 | 0 | 0 | 110.3 | G398 | G398-Q400 PolarHBondContact O-N 3.38Š| ||
| 401 | G | 45.9 | Very low | 46.3 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R399 S403 | R399-G401 PolarHBondContact O-N 3.2Å; R399-G401 VanDerWaalsContact O-N 3.08Å; G401-S403 PolarHBondContact O-N 3.45Å |
| 402 | S | 42.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.6 | -179.9 | 44.4 | 0 | 0 | 0 | 0 | 111.3 | G404 | S402-G404 PolarHBondContact O-N 3.16Š|
| 403 | S | 40.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.8 | 178.5 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | G401 | G401-S403 PolarHBondContact O-N 3.45Š|
| 404 | G | 45.8 | Very low | 44.6 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S402 | S402-G404 PolarHBondContact O-N 3.16Š|
| 405 | P | 49.7 | Very low | 43.9 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.6 | 176.2 | -23.3 | 34.1 | 0 | 0 | 0 | 112.1 | ||
| 406 | P | 44 | Very low | 43.2 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.6 | 173.5 | -23 | 33.8 | 0 | 0 | 0 | 112.7 | ||
| 407 | G | 37.6 | Very low | 42.8 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 152.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 408 | L | 41.3 | Very low | 42.2 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -110.9 | 120.8 | 169.9 | -82.8 | 167.6 | 0 | 0 | 0 | 109.7 | ||||
| 409 | D | 41.5 | Very low | 41.9 | Very low | 167 Ų | 167 | 128 Ų | 128 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -73.2 | 153.3 | -176.6 | -74.1 | -49.8 | 0 | 0 | 0 | 113.6 | ||||
| 410 | G | 37 | Very low | 41.5 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -73.2 | 173 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 411 | S | 39 | Very low | 41.3 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -118.1 | 94.2 | 172.1 | 44.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 412 | R | 38.2 | Very low | 41 | Very low | 233 Ų | 233 | 125 Ų | 125 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 47.6 | 113 | 137.1 | -162.2 | 176.5 | -166.9 | 159.5 | 3.4 | 119.2 | ||||
| 413 | G | 43.4 | Very low | 40.7 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -85.9 | 170.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 414 | E | 35.9 | Very low | 40.6 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -142.5 | 163.2 | 177.1 | -106.1 | -167.1 | -171.8 | 0 | 0 | 111.1 | ||||
| 415 | P | 41.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | -102.5 | 165.7 | -121.3 | -4.5 | 26.1 | 0 | 0 | 0 | 116.6 | |||
| 416 | G | 42.3 | Very low | 40.1 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 153.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 417 | P | 43.4 | Very low | 40.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 145 | 177.6 | 34.1 | -33.8 | 0 | 0 | 0 | 113.7 | ||
| 418 | S | 40.3 | Very low | 40.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.8 | 179.4 | -54 | 0 | 0 | 0 | 0 | 114.3 | ||
| 419 | G | 42.4 | Very low | 40.3 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 145 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 420 | M | 35.2 | Very low | 40.5 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -156.4 | 146.3 | 165.8 | -61.8 | -169.4 | 88.4 | 0 | 0 | 106 | ||||
| 421 | K | 40.3 | Very low | 40.4 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | cis | -163.1 | 141.9 | -7.6 | 177.4 | -167 | 171.8 | -172.8 | 0 | 105.6 | ||||
| 422 | G | 38.8 | Very low | 40.2 | Very low | 60 Ų | 60 | 134 Ų | 134 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 179.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 423 | E | 36.5 | Very low | 40.4 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | cis | -147.8 | 168.3 | -8.7 | -73 | -177.8 | 112.2 | 0 | 0 | 106.2 | ||||
| 424 | D | 39.2 | Very low | 40 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -158.8 | 136.4 | 137.4 | -101.9 | -26.1 | 0 | 0 | 0 | 107.6 | ||||
| 425 | G | 40 | Very low | 40.5 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -142 | 149.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 426 | R | 43.4 | Very low | 40.2 | Very low | 245 Ų | 245 | 134.6 Ų | 134.6 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | 67.7 | 163.2 | 157.3 | -72.7 | -176.5 | -178.8 | -162 | 1 | 115.8 | ||||
| 427 | P | 51.2 | Low | 40 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | -98.3 | 166.4 | 12 | 3.3 | 21.3 | 0 | 0 | 0 | 113.6 | ||||
| 428 | G | 37.8 | Very low | 40 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | cis | 102.5 | 121.7 | 48.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 429 | D | 39.5 | Very low | 40.2 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | cis | -146.4 | 154.1 | 39.7 | -69.9 | -37.7 | 0 | 0 | 0 | 115.6 | ||||
| 430 | S | 44.2 | Very low | 40.1 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | 44.3 | 123.1 | 143.4 | -52.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 431 | G | 35.8 | Very low | 40.7 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | cis | 89.8 | 132.1 | 37 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 432 | L | 35.8 | Very low | 40.7 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -154.2 | 161.1 | 11.7 | -81.6 | 153 | 0 | 0 | 0 | 110.1 | ||||
| 433 | I | 41 | Very low | 40.8 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 32.6 | 136.9 | 136.8 | -54.5 | 173.6 | 0 | 0 | 0 | 118.6 | ||||
| 434 | G | 35.2 | Very low | 40.9 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 161.2 | 162.8 | 8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 435 | L | 46.7 | Very low | 41.8 | Very low | 178 Ų | 178 | 131 Ų | 131 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -89.6 | 160.4 | -171.4 | -68.2 | 157.5 | 0 | 0 | 0 | 113.7 | ||||
| 436 | K | 35.5 | Very low | 42.3 | Very low | 210 Ų | 210 | 130.8 Ų | 130.8 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | 131.2 | 136.3 | 126.9 | -173.7 | -175.8 | 176.7 | -169.6 | 0 | 116.4 | |||||
| 437 | G | 36.8 | Very low | 42.1 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 107.2 | 132.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 438 | D | 44.7 | Very low | 42 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 133.3 | 179 | -78.3 | -50.9 | 0 | 0 | 0 | 114 | ||||
| 439 | K | 44.5 | Very low | 42.5 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | 62.1 | 113.1 | 152.2 | -144.4 | 176.7 | -170.4 | -169.5 | 0 | 120.9 | E441 | K439-E441 WeakPolarHBondContact CE-OE2 3.33Å; K439-E441 IonicContact NZ-OE1 3.95Å; K439-E441 IonicContact NZ-OE2 3.75Å; K439-E441 PolarHBondContact NZ-OE2 2.8Å | ||
| 440 | G | 39.9 | Very low | 42.5 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -134.2 | 129.3 | 132 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 441 | E | 48.1 | Very low | 42.6 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | trans | -97.7 | 121.4 | 167.7 | -82.3 | 172 | 141.5 | 0 | 0 | 108.7 | K439 | K439-E441 WeakPolarHBondContact CE-OE2 3.33Å; K439-E441 IonicContact NZ-OE1 3.95Å; K439-E441 IonicContact NZ-OE2 3.75Å; K439-E441 PolarHBondContact NZ-OE2 2.8Å | ||
| 442 | L | 40.6 | Very low | 43.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 114.6 | 163.7 | -163.2 | 81.8 | 0 | 0 | 0 | 111.3 | ||||
| 443 | G | 39.5 | Very low | 43.7 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | 81 | 122.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 444 | P | 40.4 | Very low | 44 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.8 | 159.7 | 29.3 | -31.6 | 0 | 0 | 0 | 109.3 | ||
| 445 | P | 57 | Low | 44.3 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.9 | 175.6 | -22.8 | 34.2 | 0 | 0 | 0 | 111.8 | ||
| 446 | G | 49.9 | Very low | 44.1 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 156.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 447 | P | 40.5 | Very low | 44.5 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 58% | 0.584 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 141.8 | -177.4 | 26.1 | -34 | 0 | 0 | 0 | 111.8 | ||
| 448 | K | 49.4 | Very low | 44.7 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124 | -177.7 | -174.6 | -178.4 | 179.4 | -174.4 | 0 | 110 | D450 | K448-D450 PolarHBondContact O-N 2.74Š|
| 449 | G | 47.3 | Very low | 44.6 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 450 | D | 38.9 | Very low | 44.8 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84 | 143.4 | -177.2 | -69.9 | -53.1 | 0 | 0 | 0 | 114.1 | K448 | K448-D450 PolarHBondContact O-N 2.74Š|
| 451 | Q | 47.7 | Very low | 44.8 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | 158.6 | 137.9 | 133.5 | -90.7 | -175.1 | -18.3 | 0 | 0 | 109.6 | ||||
| 452 | G | 45.4 | Very low | 44.3 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | -172.9 | 142 | -8.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 453 | L | 48.1 | Very low | 44.2 | Very low | 177 Ų | 177 | 130 Ų | 130 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -98.8 | 139.3 | 168.9 | -65.3 | 169 | 0 | 0 | 0 | 108.6 | ||||
| 454 | P | 48.9 | Very low | 44.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -147.5 | 169.1 | 116 | 35.7 | -19.6 | 0 | 0 | 0 | 111.6 | |||||
| 455 | G | 39.6 | Very low | 44.4 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | -168.7 | 173.5 | -1.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 456 | E | 43.2 | Very low | 43.7 | Very low | 208 Ų | 208 | 133.9 Ų | 133.9 | 97% | 0.972 | 80% | 0.797 | S | S | * | * | cis | -141.4 | 176.4 | 44.9 | -69.1 | -166.9 | 131.2 | 0 | 0 | 113 | ||||
| 457 | E | 43.9 | Very low | 43 | Very low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -129.6 | 141.6 | -151.4 | -178.1 | -177.5 | 178.2 | 0 | 0 | 113.3 | ||||
| 458 | G | 40.4 | Very low | 43.8 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | trans | 101 | -177.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 459 | P | 42.8 | Very low | 43.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | cis | -126.3 | 169.9 | -1.7 | 39 | -25.2 | 0 | 0 | 0 | 114.5 | ||||
| 460 | R | 49.5 | Very low | 42.7 | Very low | 236 Ų | 236 | 137.3 Ų | 137.3 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 70.2 | 99.9 | 159.5 | -149.2 | 173.9 | -159.8 | -176.4 | 6 | 114.4 | ||||
| 461 | G | 40.1 | Very low | 43 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | cis | 66.4 | -179.5 | 20 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 462 | P | 37.9 | Very low | 42.8 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -135.7 | -175 | -41.7 | 40.7 | -27.3 | 0 | 0 | 0 | 110.5 | ||||
| 463 | H | 36.8 | Very low | 42.4 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | 66.6 | 152.6 | 161.4 | -76.9 | 35.2 | 0 | 0 | 0 | 116.6 | ||||
| 464 | G | 37.3 | Very low | 42.2 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | -174.7 | 161.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 465 | D | 47 | Very low | 41.7 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -60.9 | 136.8 | 174.1 | -47 | -82.1 | 0 | 0 | 0 | 111.1 | ||||
| 466 | I | 42 | Very low | 41.4 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -178.1 | 116 | 154.1 | -84.7 | 135 | 0 | 0 | 0 | 100.8 | ||||
| 467 | G | 37.1 | Very low | 41 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | cis | 130.8 | 153.5 | 44.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | Q469 | G467-Q469 PolarHBondContact O-N 3.03Š| ||
| 468 | D | 55.8 | Low | 40.7 | Very low | 178 Ų | 178 | 132 Ų | 132 | 95% | 0.952 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 103.2 | -171.2 | -70.1 | -57.4 | 0 | 0 | 0 | 113.5 | ||||
| 469 | Q | 38.4 | Very low | 41 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 110.8 | 154.5 | -166.1 | 165.9 | -13 | 0 | 0 | 114.1 | G467 | G467-Q469 PolarHBondContact O-N 3.03Š| ||
| 470 | G | 35.4 | Very low | 41 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | 59.6 | 120 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | P472 | G470-P472 WeakPolarHBondContact O-CD 3.38Š| ||
| 471 | D | 45.3 | Very low | 40.5 | Very low | 164 Ų | 164 | 127 Ų | 127 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -48.4 | 116.5 | 167.6 | -60.7 | -68 | 0 | 0 | 0 | 112.9 | G473 | D471-G473 PolarHBondContact O-N 2.6Š| ||
| 472 | P | 43.5 | Very low | 40.6 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -81.4 | 16 | 165.7 | -9.4 | 29.5 | 0 | 0 | 0 | 112.6 | G470 | G470-P472 WeakPolarHBondContact O-CD 3.38Š| ||
| 473 | G | 38.3 | Very low | 40.6 | Very low | 53 Ų | 53 | 130.7 Ų | 130.7 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | trans | 61.5 | 174.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | D471 | D471-G473 PolarHBondContact O-N 2.6Š| ||
| 474 | L | 42.4 | Very low | 41.4 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 98% | 0.984 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -103.2 | 75 | 153.8 | -75.8 | 170.3 | 0 | 0 | 0 | 110.6 | ||
| 475 | P | 38.1 | Very low | 41.9 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -123.4 | 155.3 | 155.4 | 39.7 | -32.3 | 0 | 0 | 0 | 112.1 | ||||
| 476 | G | 35 | Very low | 41.3 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | -136.2 | 128.8 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 477 | V | 34.9 | Very low | 41.5 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | 86.5 | 97.4 | 82.6 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 478 | R | 37.2 | Very low | 42.3 | Very low | 252 Ų | 252 | 128.5 Ų | 128.5 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -151.1 | 95.9 | 132.4 | -158.2 | 176.6 | -167.3 | -176.3 | 4.1 | 104.9 | ||||
| 479 | G | 46.7 | Very low | 41.4 | Very low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | cis | 98.2 | 156.2 | 42.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 480 | P | 41.7 | Very low | 41.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | -134.4 | 156.9 | 3 | 40.2 | -23.2 | 0 | 0 | 0 | 116.4 | ||||
| 481 | V | 39.4 | Very low | 41.5 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 57.8 | 133.8 | 133.7 | 178.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 482 | G | 43.2 | Very low | 41.6 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 144.7 | 47.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 483 | Q | 36.6 | Very low | 41.6 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | 58.1 | 138.9 | 97.2 | -81.4 | -165.1 | -1.5 | 0 | 0 | 117 | |||||
| 484 | P | 53.4 | Low | 41.4 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -119.5 | 154 | -155.5 | 21.1 | 2.9 | 0 | 0 | 0 | 116.4 | ||||
| 485 | G | 49.3 | Very low | 41.6 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 79.5 | 159.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 486 | P | 33.9 | Very low | 41.6 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | cis | -129.8 | -151.5 | 13.9 | 41.6 | -23.1 | 0 | 0 | 0 | 113.8 | ||||
| 487 | Q | 46.8 | Very low | 41.7 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -87.3 | 130.1 | -168.2 | 179.1 | -175.5 | 17 | 0 | 0 | 115.5 | ||||
| 488 | G | 53.9 | Low | 42.4 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | 72 | 171.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 489 | P | 36.1 | Very low | 42.6 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | cis | -118.9 | 171.7 | 1.3 | 40.8 | -28.5 | 0 | 0 | 0 | 114.4 | ||||
| 490 | R | 41.4 | Very low | 42.2 | Very low | 250 Ų | 250 | 136.2 Ų | 136.2 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | trans | 24.3 | 111.3 | 147.3 | -176.5 | -170 | -179.1 | -178.5 | 1 | 118.7 | ||||
| 491 | G | 34 | Very low | 42 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | 158.7 | 129.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 492 | K | 47.1 | Very low | 41.9 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 90% | 0.904 | 83% | 0.834 | S | S | * | * | trans | -76.9 | 176 | 164 | -57.3 | -179.5 | 178 | -179.4 | 0 | 109.4 | ||||
| 493 | P | 43.7 | Very low | 41.6 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | cis | -146.1 | -173.9 | 12.5 | 43.7 | -24 | 0 | 0 | 0 | 117 | ||||
| 494 | G | 34.1 | Very low | 41.7 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | 134.1 | 127.6 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 495 | N | 46.3 | Very low | 41.3 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -101.1 | 165.8 | 176.4 | -66.4 | -38.4 | 0 | 0 | 0 | 112.8 | ||||
| 496 | Q | 39.1 | Very low | 40.8 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 94% | 0.935 | 84% | 0.836 | S | S | * | * | trans | 116.8 | 144.8 | 159.5 | -68.8 | -174.8 | -4.4 | 0 | 0 | 113.3 | ||||
| 497 | G | 37.5 | Very low | 41.1 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | cis | -172.8 | 173 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 498 | P | 49.7 | Very low | 41.2 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -106.4 | 178.4 | -156.2 | 40.1 | -37.2 | 0 | 0 | 0 | 116.8 | ||||
| 499 | R | 41.5 | Very low | 40.7 | Very low | 254 Ų | 254 | 147 Ų | 147 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | 88 | 133.1 | 158.8 | -155.2 | -178 | -162.8 | -175.3 | 5.5 | 115.5 | ||||
| 500 | G | 37.9 | Very low | 41.1 | Very low | 63 Ų | 63 | 149 Ų | 149 | 65% | 0.649 | 84% | 0.839 | S | S | * | * | cis | 158.8 | -174.6 | -3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 501 | R | 37.2 | Very low | 41.4 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | trans | 90 | 151.8 | 178.2 | -65.2 | -175.3 | 168.8 | -168.1 | -2.7 | 116.2 | ||||
| 502 | K | 38.3 | Very low | 42 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | cis | -173.5 | 148.9 | -11.8 | 160.4 | -170 | 174 | -160.4 | 0 | 110 | ||||
| 503 | G | 36.7 | Very low | 41.8 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | trans | 92.9 | 147.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 504 | E | 37.5 | Very low | 42.2 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | cis | -143.4 | 138.4 | 1.9 | -63.1 | -172.8 | 130.6 | 0 | 0 | 109.5 | ||||
| 505 | L | 44.8 | Very low | 43 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | 61.7 | 123 | 110.5 | -159.3 | 82.2 | 0 | 0 | 0 | 115.5 | |||||
| 506 | G | 39.4 | Very low | 43 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | cis | 147.6 | 122.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 507 | E | 40.4 | Very low | 43.3 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -123.5 | 155.9 | 169.8 | -81.9 | -157.4 | 139.3 | 0 | 0 | 112.5 | ||||
| 508 | P | 47.7 | Very low | 43.9 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 135.2 | -166.3 | -18.8 | 33.8 | 0 | 0 | 0 | 114.3 | ||
| 509 | G | 44.9 | Very low | 43.6 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 143.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 510 | L | 44.7 | Very low | 43.8 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.2 | 163.6 | -74 | 163.8 | 0 | 0 | 0 | 110.3 | G512 | L510-G512 PolarHBondContact O-N 3.4Š|
| 511 | P | 46.3 | Very low | 44.1 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 125.4 | 178.5 | -24.6 | 34.2 | 0 | 0 | 0 | 111.9 | ||
| 512 | G | 48.2 | Very low | 44.2 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 135.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L510 | L510-G512 PolarHBondContact O-N 3.4Š|
| 513 | L | 41.9 | Very low | 44.3 | Very low | 164 Ų | 164 | 117.4 Ų | 117.4 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 134.9 | 160.3 | -72.8 | 164.5 | 0 | 0 | 0 | 108.3 | G515 | L513-G515 PolarHBondContact O-N 3.1Å; L513-G515 VanDerWaalsContact O-N 3.08Å |
| 514 | P | 52 | Low | 44.6 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 121.6 | 171.9 | -24.8 | 34 | 0 | 0 | 0 | 109 | ||
| 515 | G | 51.7 | Low | 44.7 | Very low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 145.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L513 A517 | L513-G515 PolarHBondContact O-N 3.1Å; L513-G515 VanDerWaalsContact O-N 3.08Å; G515-A517 PolarHBondContact O-N 3.25Å; G515-A517 VanDerWaalsContact O-N 3.16Å |
| 516 | P | 46 | Very low | 44.3 | Very low | 127 Ų | 127 | 114.6 Ų | 114.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 130.2 | 171.2 | 24.3 | -33.3 | 0 | 0 | 0 | 107.6 | G518 | P516-G518 PolarHBondContact O-N 3.5Š|
| 517 | A | 45.1 | Very low | 44.3 | Very low | 94 Ų | 94 | 114.2 Ų | 114.2 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 119.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | G515 | G515-A517 PolarHBondContact O-N 3.25Å; G515-A517 VanDerWaalsContact O-N 3.16Å |
| 518 | G | 49.9 | Very low | 44 | Very low | 55 Ų | 55 | 114.2 Ų | 114.2 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 145.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P516 I520 | P516-G518 PolarHBondContact O-N 3.5Å; G518-I520 PolarHBondContact O-N 2.75Å |
| 519 | P | 42.7 | Very low | 43.5 | Very low | 128 Ų | 128 | 112.5 Ų | 112.5 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 123.5 | 177.8 | 22.3 | -33 | 0 | 0 | 0 | 107 | G521 | P519-G521 VanDerWaalsContact C-N 3.34Å; P519-G521 PolarHBondContact O-N 3.32Å |
| 520 | I | 45.9 | Very low | 43.2 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -51.1 | 111.4 | 175.7 | -72.3 | 174 | 0 | 0 | 0 | 104 | G518 T522 | G518-I520 PolarHBondContact O-N 2.75Å; I520-T522 PolarHBondContact O-N 3.18Å | ||
| 521 | G | 44.3 | Very low | 42.8 | Very low | 60 Ų | 60 | 110 Ų | 110 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | -53.1 | 123.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 106 | P519 S523 | P519-G521 VanDerWaalsContact C-N 3.34Å; P519-G521 PolarHBondContact O-N 3.32Å; G521-S523 PolarHBondContact O-N 3.16Å | ||
| 522 | T | 40.2 | Very low | 42.5 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -44.4 | 119.6 | 173.5 | 46.6 | 0 | 0 | 0 | 0 | 105.9 | I520 G524 | I520-T522 PolarHBondContact O-N 3.18Å; T522-G524 PolarHBondContact O-N 3.05Å | ||
| 523 | S | 39.2 | Very low | 41.9 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -47.6 | 114 | 172.1 | 27.1 | 0 | 0 | 0 | 0 | 105.3 | G521 | G521-S523 PolarHBondContact O-N 3.16Š| ||
| 524 | G | 43.3 | Very low | 41.4 | Very low | 53 Ų | 53 | 113.5 Ų | 113.5 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | trans | -52.5 | 145 | -178.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | T522 E526 | T522-G524 PolarHBondContact O-N 3.05Å; G524-E526 PolarHBondContact O-N 3.37Å | ||
| 525 | P | 39.9 | Very low | 40.9 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -49.6 | 117.2 | 172.8 | 23.4 | -32.9 | 0 | 0 | 0 | 106.2 | G527 | P525-G527 WeakPolarHBondContact O-CA 3.43Å; P525-G527 PolarHBondContact O-N 2.78Å | ||
| 526 | E | 37.4 | Very low | 40 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -53.3 | 113.3 | -172 | -174.9 | 175.8 | -169.1 | 0 | 0 | 106.1 | G524 M528 | G524-E526 PolarHBondContact O-N 3.37Å; E526-M528 PolarHBondContact O-N 3.2Å | ||
| 527 | G | 38 | Very low | 39.4 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 122.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | P525 A529 | P525-G527 WeakPolarHBondContact O-CA 3.43Å; P525-G527 PolarHBondContact O-N 2.78Å; G527-A529 PolarHBondContact O-N 2.92Å | ||
| 528 | M | 35 | Very low | 39 | Very low | 193 Ų | 193 | 117.1 Ų | 117.1 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | trans | -44.3 | 107.6 | -178.7 | -84.9 | -176.1 | 160 | 0 | 0 | 108.2 | E526 G530 | E526-M528 PolarHBondContact O-N 3.2Å; M528-G530 PolarHBondContact O-N 3.25Å | ||
| 529 | A | 36 | Very low | 38.5 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -57.3 | 116.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | G527 | G527-A529 PolarHBondContact O-N 2.92Š| ||
| 530 | G | 39.4 | Very low | 38.5 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | trans | -52.5 | 146.9 | 178 | 0 | 0 | 0 | 0 | 0 | 108.9 | M528 R532 | M528-G530 PolarHBondContact O-N 3.25Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.32Å | ||
| 531 | P | 35.7 | Very low | 38.1 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -58.7 | 97.8 | -174.2 | 24.2 | -34.1 | 0 | 0 | 0 | 109.8 | G533 | P531-G533 PolarHBondContact O-N 3.14Š| ||
| 532 | R | 39.9 | Very low | 38 | Very low | 243 Ų | 243 | 124.7 Ų | 124.7 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 120.8 | 174.8 | -173.4 | 173.3 | 179.6 | 173.7 | -0.7 | 105.9 | G530 | G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.32Å | ||
| 533 | G | 35.8 | Very low | 38.2 | Very low | 48 Ų | 48 | 123.3 Ų | 123.3 | 50% | 0.495 | 77% | 0.769 | S | S | . | * | trans | -56.4 | 156.5 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P531 T535 | P531-G533 PolarHBondContact O-N 3.14Å; G533-T535 PolarHBondContact O-N 3.32Å; G533-T535 VanDerWaalsContact O-N 3.13Å | ||
| 534 | P | 32.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 92% | 0.922 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 115.2 | 178.2 | 28.5 | -33.9 | 0 | 0 | 0 | 109.7 | ||||
| 535 | T | 40.4 | Very low | 38.3 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -128.7 | 112.4 | 170.8 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | G533 | G533-T535 PolarHBondContact O-N 3.32Å; G533-T535 VanDerWaalsContact O-N 3.13Å | ||
| 536 | G | 34.2 | Very low | 38.2 | Very low | 78 Ų | 78 | 120.3 Ų | 120.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 79.9 | 85.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 537 | V | 32.5 | Very low | 38.2 | Very low | 159 Ų | 159 | 113.9 Ų | 113.9 | 96% | 0.964 | 72% | 0.722 | S | S | * | * | trans | -84.3 | 118.1 | 156.9 | -117.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 538 | A | 36.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | trans | -157 | 128.6 | 158 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 539 | G | 41 | Very low | 38.1 | Very low | 75 Ų | 75 | 110 Ų | 110 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | cis | -164.1 | 140.9 | -14.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 540 | Q | 42.6 | Very low | 38.5 | Very low | 164 Ų | 164 | 109.1 Ų | 109.1 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -72.8 | 148.3 | -173 | -69.2 | -165.1 | 34.5 | 0 | 0 | 113.1 | ||||
| 541 | R | 36.4 | Very low | 38.6 | Very low | 251 Ų | 251 | 107.5 Ų | 107.5 | 95% | 0.947 | 68% | 0.675 | S | S | * | * | trans | -139.3 | 140.4 | 145.8 | -153.3 | 175.7 | -152.9 | -166.2 | 6.9 | 111.2 | ||||
| 542 | G | 42.8 | Very low | 38.8 | Very low | 50 Ų | 50 | 107.2 Ų | 107.2 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | trans | 101.9 | 121 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K1309 | G542-K1309 PolarHBondContact O-NZ 3.16Š| ||
| 543 | R | 44.4 | Very low | 38.9 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 39% | 0.389 | 66% | 0.657 | S | S | . | * | trans | -139.8 | 130.2 | 161.5 | -88 | -133.6 | 174 | -131.1 | -1.7 | 107.4 | K1309 G1310 E1311 | R543-K1309 CarbonylContact C-O 3.59Å; R543-K1309 WeakPolarHBondContact CA-O 3.47Å; R543-K1309 WeakPolarHBondContact CB-O 3.33Å; R543-K1309 WeakPolarHBondContact CD-O 3.29Å; R543-K1309 HydrophobicContact CG-CD 3.74Å; R543-K1309 VanDerWaalsContact CG-CE 3.49Å; R543-K1309 HydrophobicContact CG-CG 3.74Å; R543-K1309 WeakPolarHBondContact CG-O 3.43Å; R543-G1310 PolarHBondContact NH1-O 2.9Å; R543-E1311 WeakPolarHBondContact CD-OE2 3.31Å; R543-E1311 IonicContact CZ-OE1 3.59Å; R543-E1311 VanDerWaalsContact CZ-OE1 3.23Å; R543-E1311 IonicContact CZ-OE2 2.65Å; R543-E1311 IonicContact NE-OE1 2.75Å; R543-E1311 PolarHBondContact NE-OE1 2.79Å; R543-E1311 IonicContact NE-OE2 3.89Å; R543-E1311 PolarHBondContact NE-OE2 2.88Å; R543-E1311 IonicContact NH2-OE1 3.36Å; R543-E1311 PolarHBondContact NH2-OE1 3.32Å; R543-E1311 IonicContact NH2-OE2 3.9Å | ||
| 544 | S | 42.1 | Very low | 39.2 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | trans | -120.8 | -135.8 | 173.7 | -39 | 0 | 0 | 0 | 0 | 108.5 | L1308 K1309 G1310 | S544-L1308 CarbonylContact C-O 3.6Å; S544-L1308 WeakPolarHBondContact CA-O 3.1Å; S544-L1308 WeakPolarHBondContact CB-O 3.38Å; S544-L1308 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact C-O 3.58Å; S544-K1309 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact O-C 2.9Å; S544-G1310 WeakPolarHBondContact O-CA 3.41Å; S544-G1310 PolarHBondContact O-N 2.87Å; S544-G1310 VanDerWaalsContact O-N 3.11Å | ||
| 545 | G | 41.7 | Very low | 39.5 | Very low | 36 Ų | 36 | 100.6 Ų | 100.6 | 37% | 0.371 | 65% | 0.649 | S | S | . | * | trans | -100.7 | 153.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S547 L1308 K1309 | G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.09Å; G545-L1308 PolarHBondContact N-O 2.93Å; G545-L1308 VanDerWaalsContact N-O 3.13Å; G545-L1308 CarbonylContact O-C 2.84Å; G545-L1308 WeakPolarHBondContact O-CA 3.31Å; G545-L1308 PolarHBondContact O-N 2.87Å; G545-K1309 PolarHBondContact O-N 2.77Å | ||
| 546 | P | 38.2 | Very low | 39.6 | Very low | 115 Ų | 115 | 99.7 Ų | 99.7 | 75% | 0.747 | 65% | 0.646 | S | S | * | * | trans | -71 | 81.6 | 171.9 | 31.9 | -35.1 | 0 | 0 | 0 | 111.6 | G548 | P546-G548 PolarHBondContact O-N 3.42Š| ||
| 547 | S | 38.7 | Very low | 40.1 | Very low | 55 Ų | 55 | 99 Ų | 99 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | trans | -63.3 | 133.3 | 170.3 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | G545 G1307 | G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.09Å; S547-G1307 VanDerWaalsContact OG-C 3.25Å; S547-G1307 WeakPolarHBondContact OG-CA 3.39Å; S547-G1307 PolarHBondContact OG-N 3.41Å; S547-G1307 PolarHBondContact OG-O 3.15Å | ||
| 548 | G | 34.8 | Very low | 40.3 | Very low | 48 Ų | 48 | 101 Ų | 101 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | trans | -64.7 | 146.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P546 V1305 | P546-G548 PolarHBondContact O-N 3.42Å; G548-V1305 WeakPolarHBondContact O-CG1 3.21Å; G548-V1305 PolarHBondContact O-N 3.42Å | ||
| 549 | V | 35.2 | Very low | 41 | Very low | 128 Ų | 128 | 102 Ų | 102 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -24.3 | 139.3 | 178 | -97.5 | 0 | 0 | 0 | 0 | 115.8 | G551 | V549-G551 PolarHBondContact O-N 3.01Š| ||
| 550 | P | 44.9 | Very low | 41.2 | Very low | 78 Ų | 78 | 101.1 Ų | 101.1 | 51% | 0.506 | 62% | 0.623 | S | S | . | * | trans | -52.4 | 115.2 | 158.2 | -9.5 | 20.1 | 0 | 0 | 0 | 108.6 | T552 V1305 | P550-T552 PolarHBondContact O-N 3.42Å; P550-T552 VanDerWaalsContact O-N 3.1Å; P550-V1305 HydrophobicContact CB-CG2 3.66Å; P550-V1305 HydrophobicContact CG-CG1 4.34Å; P550-V1305 HydrophobicContact CG-CG2 3.74Å; P550-V1305 VanDerWaalsContact N-CG2 3.3Å | ||
| 551 | G | 42 | Very low | 41.3 | Very low | 21 Ų | 21 | 99.8 Ų | 99.8 | 22% | 0.216 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -49.5 | 121.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | V549 D553 | V549-G551 PolarHBondContact O-N 3.01Å; G551-D553 PolarHBondContact O-N 2.03Å; G551-D553 VanDerWaalsContact O-N 3.13Å |
| 552 | T | 39.6 | Very low | 41.5 | Very low | 129 Ų | 129 | 97.4 Ų | 97.4 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.2 | -179.3 | 46.1 | 0 | 0 | 0 | 0 | 108 | P550 G554 | P550-T552 PolarHBondContact O-N 3.42Å; P550-T552 VanDerWaalsContact O-N 3.1Å; T552-G554 PolarHBondContact O-N 2.86Å; T552-G554 VanDerWaalsContact O-N 3.16Å |
| 553 | D | 41.7 | Very low | 41.4 | Very low | 116 Ų | 116 | 98.1 Ų | 98.1 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 126 | 171.7 | -81.7 | -60.1 | 0 | 0 | 0 | 108.3 | G551 R1303 | G551-D553 PolarHBondContact O-N 2.03Å; G551-D553 VanDerWaalsContact O-N 3.13Å; D553-R1303 VanDerWaalsContact CG-NH2 3.3Å; D553-R1303 IonicContact OD1-CZ 3.28Å; D553-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D553-R1303 IonicContact OD1-NH1 2.66Å; D553-R1303 PolarHBondContact OD1-NH1 2.83Å; D553-R1303 IonicContact OD1-NH2 2.68Å; D553-R1303 PolarHBondContact OD1-NH2 3.24Å; D553-R1303 VanDerWaalsContact OD1-NH2 3.13Å; D553-R1303 IonicContact OD2-CZ 3.69Å; D553-R1303 IonicContact OD2-NH1 3.78Å; D553-R1303 IonicContact OD2-NH2 2.8Å; D553-R1303 PolarHBondContact OD2-NH2 2.98Å |
| 554 | G | 42 | Very low | 41 | Very low | 63 Ų | 63 | 101.2 Ų | 101.2 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -61 | 161.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T552 | T552-G554 PolarHBondContact O-N 2.86Å; T552-G554 VanDerWaalsContact O-N 3.16Å |
| 555 | L | 39 | Very low | 41.3 | Very low | 116 Ų | 116 | 103.7 Ų | 103.7 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.8 | 171.1 | -59.2 | -176.5 | 0 | 0 | 0 | 109.2 | Q13 G557 | Q13-L555 HydrophobicContact CG-CD2 3.37Å; L555-G557 PolarHBondContact O-N 2.93Å; L555-G557 VanDerWaalsContact O-N 3.15Å |
| 556 | P | 42.4 | Very low | 41.2 | Very low | 121 Ų | 121 | 105.1 Ų | 105.1 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.4 | 169.1 | -25.5 | 34.4 | 0 | 0 | 0 | 108.9 | ||
| 557 | G | 43.8 | Very low | 41.4 | Very low | 64 Ų | 64 | 105.6 Ų | 105.6 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 146.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L555 | L555-G557 PolarHBondContact O-N 2.93Å; L555-G557 VanDerWaalsContact O-N 3.15Å |
| 558 | F | 38.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 112.2 Ų | 112.2 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 128.2 | 173.5 | -76.2 | -87.3 | 0 | 0 | 0 | 109.9 | G560 | F558-G560 PolarHBondContact O-N 2.95Å; F558-G560 VanDerWaalsContact O-N 3.12Å |
| 559 | P | 48.9 | Very low | 42 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -55 | 121.5 | 166 | -22.9 | 33.6 | 0 | 0 | 0 | 108.3 | ||
| 560 | G | 46.4 | Very low | 41.9 | Very low | 57 Ų | 57 | 114 Ų | 114 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 155.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F558 K562 | F558-G560 PolarHBondContact O-N 2.95Å; F558-G560 VanDerWaalsContact O-N 3.12Å; G560-K562 PolarHBondContact O-N 2.77Å |
| 561 | P | 44.4 | Very low | 42.3 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53 | 127.9 | 174.1 | 22.4 | -32.4 | 0 | 0 | 0 | 109.9 | G563 | P561-G563 PolarHBondContact O-N 3.27Å; P561-G563 VanDerWaalsContact O-N 3.16Å |
| 562 | K | 40.9 | Very low | 42.8 | Very low | 202 Ų | 202 | 119.8 Ų | 119.8 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 116.7 | 177.3 | 178.6 | -178.5 | 177.5 | -176.3 | 0 | 109.5 | G560 | G560-K562 PolarHBondContact O-N 2.77Š|
| 563 | G | 40.4 | Very low | 43.4 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P561 | P561-G563 PolarHBondContact O-N 3.27Å; P561-G563 VanDerWaalsContact O-N 3.16Å |
| 564 | D | 36.9 | Very low | 43.8 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 151.7 | 174.7 | -82.1 | -50.5 | 0 | 0 | 0 | 112.4 | G566 | D564-G566 PolarHBondContact O-N 2.93Š|
| 565 | V | 46.6 | Very low | 43.7 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.2 | -165.7 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 566 | G | 39.4 | Very low | 43.7 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D564 K568 | D564-G566 PolarHBondContact O-N 2.93Å; G566-K568 PolarHBondContact O-N 3.06Å |
| 567 | P | 43.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -77.7 | 115.9 | 179.8 | 29.1 | -33 | 0 | 0 | 0 | 112.5 | ||||
| 568 | K | 46.2 | Very low | 43.7 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 52.8 | 107.4 | 145.5 | -165.9 | 177.2 | -176.8 | -178.8 | 0 | 119 | G566 | G566-K568 PolarHBondContact O-N 3.06Š| ||
| 569 | G | 38.8 | Very low | 44 | Very low | 59 Ų | 59 | 123.9 Ų | 123.9 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | -87.9 | 170 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 570 | D | 33.9 | Very low | 43.7 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 86.9 | 118.3 | 154.5 | -54 | -13.8 | 0 | 0 | 0 | 121.5 | ||||
| 571 | T | 54.2 | Low | 43.9 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -154.2 | 128 | 131.3 | -61 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 572 | G | 52.2 | Low | 43.4 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -155.2 | 135.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 573 | P | 52 | Low | 43.4 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -134 | 156.8 | 169.8 | 38.6 | -24.2 | 0 | 0 | 0 | 113.1 | ||||
| 574 | N | 50.2 | Low | 43.8 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | cis | -152.9 | 154.1 | -3.7 | -164.7 | -1.2 | 0 | 0 | 0 | 109.7 | ||||
| 575 | G | 39.8 | Very low | 43.8 | Very low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -166 | 28.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 576 | S | 37.8 | Very low | 43.5 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 46.8 | 99.3 | 164.5 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 577 | K | 46.6 | Very low | 43.5 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 58.2 | 97.8 | 145 | -162 | 173.7 | -174.6 | 176.6 | 0 | 118.4 | ||
| 578 | G | 41.2 | Very low | 43.2 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 170.9 | 90.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 105 | T580 | G578-T580 PolarHBondContact O-N 2.8Š|
| 579 | D | 43.6 | Very low | 42.9 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 122.6 | -147.3 | -60.6 | -43.9 | 0 | 0 | 0 | 113.8 | G581 | D579-G581 PolarHBondContact O-N 2.64Š|
| 580 | T | 43.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119.5 | -151.6 | -48.1 | 0 | 0 | 0 | 0 | 113.9 | G578 I582 | G578-T580 PolarHBondContact O-N 2.8Å; T580-I582 PolarHBondContact O-N 2.8Å |
| 581 | G | 48.9 | Very low | 43 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D579 Q583 | D579-G581 PolarHBondContact O-N 2.64Å; G581-Q583 PolarHBondContact O-N 3.43Å |
| 582 | I | 33.8 | Very low | 42.2 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 135.9 | -174.5 | -54.5 | 177.9 | 0 | 0 | 0 | 110.5 | T580 | T580-I582 PolarHBondContact O-N 2.8Š|
| 583 | Q | 42.2 | Very low | 42.2 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 146.7 | -156 | -165.8 | -176.3 | 13.9 | 0 | 0 | 113.2 | G581 P585 | G581-Q583 PolarHBondContact O-N 3.43Å; Q583-P585 HydrophobicContact CG-CG 4.3Å |
| 584 | G | 48.9 | Very low | 41.7 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -128.3 | 123.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 585 | P | 35.9 | Very low | 41.3 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | trans | -133.6 | 129.8 | 152.9 | 19.9 | 1.9 | 0 | 0 | 0 | 111.1 | Q583 | Q583-P585 HydrophobicContact CG-CG 4.3Š| ||
| 586 | R | 40.7 | Very low | 41.4 | Very low | 239 Ų | 239 | 142.5 Ų | 142.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | 62.7 | 101.8 | 76.2 | -164.8 | 177.8 | -172.3 | 172.3 | 2.7 | 112.5 | |||||
| 587 | G | 38.5 | Very low | 42.1 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -105.6 | -165.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 588 | Y | 39.1 | Very low | 41.8 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -138 | 128.7 | 179.6 | -76.5 | -86.9 | 0 | 0 | 0 | 114.1 | ||||
| 589 | K | 39.7 | Very low | 41.6 | Very low | 208 Ų | 208 | 142.8 Ų | 142.8 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -25.5 | 138.2 | 148.9 | -178.9 | -170.1 | -173.3 | -174.9 | 0 | 114 | ||||
| 590 | G | 36.3 | Very low | 41.7 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | 139.7 | 129.4 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 591 | E | 36.8 | Very low | 41.3 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -149 | 139.4 | 172.7 | -136.2 | 177 | -139.7 | 0 | 0 | 115.4 | ||
| 592 | R | 38.9 | Very low | 40.8 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 49.9 | 81 | 174.8 | -143.8 | 158.9 | -61.7 | -157.6 | 3.6 | 117.1 | ||
| 593 | G | 51.7 | Low | 40.7 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -67.5 | 137.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 594 | R | 42.3 | Very low | 40.8 | Very low | 246 Ų | 246 | 141.6 Ų | 141.6 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -119.1 | 134.1 | 144 | -74 | -175.4 | 169.9 | -178.2 | -4.2 | 107.5 | G596 | R594-G596 PolarHBondContact O-N 2.85Š| ||
| 595 | S | 41.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -35.9 | 121.8 | -159.6 | -46.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 596 | G | 41.9 | Very low | 40.1 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 155.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | R594 E598 | R594-G596 PolarHBondContact O-N 2.85Å; G596-E598 PolarHBondContact O-N 3.33Å |
| 597 | P | 52.3 | Low | 40.3 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 119.9 | 175.2 | 31.1 | -32.3 | 0 | 0 | 0 | 110 | ||
| 598 | E | 40.4 | Very low | 40.3 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121.6 | 177.7 | -172.4 | 169.8 | -169.2 | 0 | 0 | 110.9 | G596 | G596-E598 PolarHBondContact O-N 3.33Š|
| 599 | G | 35.3 | Very low | 40.5 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 135.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 600 | A | 47.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | 41.7 | 105.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 601 | K | 34.3 | Very low | 41 | Very low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -148.5 | 133.3 | 143.6 | -169.2 | 176 | -179.6 | -177.9 | 0 | 112.4 | ||||
| 602 | G | 38.3 | Very low | 40.9 | Very low | 56 Ų | 56 | 125.5 Ų | 125.5 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | 80 | 82.8 | 145 | 0 | 0 | 0 | 0 | 0 | 117.3 | S604 | G602-S604 PolarHBondContact O-N 2.88Š| ||
| 603 | E | 32.9 | Very low | 41.2 | Very low | 207 Ų | 207 | 117 Ų | 117 | 97% | 0.967 | 74% | 0.744 | S | S | * | * | -58.7 | 91.2 | 128.3 | -69.8 | -177.2 | 126.4 | 0 | 0 | 108.9 | |||||
| 604 | S | 42.6 | Very low | 40.5 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -169.2 | 109.5 | 156.9 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | G602 | G602-S604 PolarHBondContact O-N 2.88Š| ||
| 605 | G | 40.6 | Very low | 40 | Very low | 67 Ų | 67 | 109.9 Ų | 109.9 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | 83.6 | 97.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 606 | K | 30.2 | Very low | 40 | Very low | 209 Ų | 209 | 109.7 Ų | 109.7 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | trans | -136 | 78.5 | 153 | -72.8 | -166.8 | 179 | -178.9 | 0 | 112.9 | ||||
| 607 | P | 45.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -68.6 | 139.1 | 138.9 | 12.9 | 3 | 0 | 0 | 0 | 108.8 | ||||
| 608 | G | 39.1 | Very low | 40 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | cis | -156.9 | 158.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 609 | P | 42 | Very low | 40.4 | Very low | 98 Ų | 98 | 111 Ų | 111 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | -103.6 | 117.2 | -162.4 | 35.5 | -30.4 | 0 | 0 | 0 | 115.7 | P1138 | P609-P1138 HydrophobicContact CG-CB 4.48Å; P609-P1138 HydrophobicContact CG-CG 4.15Å | ||
| 610 | V | 46.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | trans | -151.1 | 144.7 | 159.1 | 169.6 | 0 | 0 | 0 | 0 | 105.4 | L1132 | V610-L1132 HydrophobicContact CG1-CD1 3.84Å; V610-L1132 HydrophobicContact CG1-CD2 4.4Å; V610-L1132 HydrophobicContact CG2-CD1 4.28Å; V610-L1132 HydrophobicContact CG2-CD2 4.32Å | ||
| 611 | G | 42 | Very low | 39.6 | Very low | 51 Ų | 51 | 112.3 Ų | 112.3 | 53% | 0.526 | 71% | 0.712 | S | S | . | * | cis | -164.4 | -179.8 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1131 | G611-E1131 WeakPolarHBondContact CA-OE1 2.99Š| ||
| 612 | V | 33.6 | Very low | 40 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 54% | 0.539 | 71% | 0.708 | S | S | . | * | trans | -98.2 | -168.1 | -164.8 | -119.7 | 0 | 0 | 0 | 0 | 110.7 | L1132 | V612-L1132 HydrophobicContact CG2-CD2 4.42Å; V612-L1132 HydrophobicContact CG2-CG 4.24Å; V612-L1132 VanDerWaalsContact CG2-N 3.29Å | ||
| 613 | P | 45.3 | Very low | 39.9 | Very low | 50 Ų | 50 | 111.7 Ų | 111.7 | 33% | 0.325 | 71% | 0.71 | S | S | . | * | cis | -136.1 | 171.1 | -20.4 | 23.1 | 0 | 0 | 0 | 0 | 117 | K1129 G1130 | P613-K1129 HydrophobicContact CB-CG 4.2Å; P613-K1129 VanDerWaalsContact CD-O 3.28Å; P613-K1129 WeakPolarHBondContact CD-O 2.91Å; P613-K1129 HydrophobicContact CG-CB 4.3Å; P613-K1129 HydrophobicContact CG-CG 3.7Å; P613-K1129 WeakPolarHBondContact O-CE 3.48Å; P613-K1129 WeakPolarHBondContact O-CG 3.45Å; P613-K1129 PolarHBondContact O-NZ 2.89Å; P613-G1130 VanDerWaalsContact CG-N 3.34Å | ||
| 614 | G | 36.1 | Very low | 39.9 | Very low | 47 Ų | 47 | 107.8 Ų | 107.8 | 49% | 0.485 | 70% | 0.696 | S | S | . | * | 114 | 154.5 | 113.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | K1129 | G614-K1129 VanDerWaalsContact C-NZ 3.32Å; G614-K1129 WeakPolarHBondContact O-CE 3.4Å; G614-K1129 PolarHBondContact O-NZ 2.91Å | |||
| 615 | D | 32.8 | Very low | 40 | Very low | 128 Ų | 128 | 109.7 Ų | 109.7 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 43.3 | 150.9 | 152.8 | -37 | -46.1 | 0 | 0 | 0 | 122.4 | K1129 | D615-K1129 VanDerWaalsContact OD2-CE 3.25Å; D615-K1129 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 616 | P | 41.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 109.2 Ų | 109.2 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | cis | -122.7 | 173.7 | -12.8 | 21.8 | 1.6 | 0 | 0 | 0 | 113.4 | ||||
| 617 | G | 44.4 | Very low | 40.2 | Very low | 68 Ų | 68 | 107.2 Ų | 107.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -81.1 | -151.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 618 | P | 51.2 | Low | 39.8 | Very low | 128 Ų | 128 | 106.7 Ų | 106.7 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | cis | -109.9 | 165 | -24.1 | 38.8 | -28.6 | 0 | 0 | 0 | 110.9 | ||||
| 619 | K | 48.8 | Very low | 39.9 | Very low | 214 Ų | 214 | 105.8 Ų | 105.8 | 93% | 0.93 | 69% | 0.685 | S | S | * | * | trans | -157 | 119.1 | 155.4 | -129.2 | 168.7 | -175.7 | 174.3 | 0 | 111.2 | ||||
| 620 | G | 33.6 | Very low | 39.8 | Very low | 62 Ų | 62 | 107.3 Ų | 107.3 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | trans | -89.2 | -166.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 621 | V | 31.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 108.9 Ų | 108.9 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | trans | 55.1 | 127.5 | 163.6 | -76.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 622 | K | 42.1 | Very low | 39.6 | Very low | 184 Ų | 184 | 109 Ų | 109 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | -125.3 | 61.5 | 125.5 | -156 | 178.5 | -178.6 | -175.7 | 0 | 111.9 | D624 | K622-D624 WeakPolarHBondContact CE-O 3.46Å; K622-D624 HydrophobicContact CG-CB 4.41Å; K622-D624 PolarHBondContact O-N 2.9Å; K622-D624 VanDerWaalsContact O-N 3.11Å | |||
| 623 | G | 36.5 | Very low | 39.7 | Very low | 61 Ų | 61 | 110.4 Ų | 110.4 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | -69.4 | 89.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 624 | D | 33.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 114.5 Ų | 114.5 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | -172.8 | 69.1 | 161.6 | -97.4 | -17.5 | 0 | 0 | 0 | 109.2 | K622 | K622-D624 WeakPolarHBondContact CE-O 3.46Å; K622-D624 HydrophobicContact CG-CB 4.41Å; K622-D624 PolarHBondContact O-N 2.9Å; K622-D624 VanDerWaalsContact O-N 3.11Å | ||
| 625 | V | 43.7 | Very low | 39.5 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | S | Bend | -126.3 | 128.2 | 115.1 | -176.4 | 0 | 0 | 0 | 0 | 104.6 | |||
| 626 | G | 39.2 | Very low | 39.7 | Very low | 58 Ų | 58 | 116.6 Ų | 116.6 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | trans | -68.3 | 173.6 | -159.7 | 0 | 0 | 0 | 0 | 0 | 115 | S628 | G626-S628 PolarHBondContact O-N 3.22Å; G626-S628 VanDerWaalsContact O-N 3.08Å | ||
| 627 | I | 36 | Very low | 39.8 | Very low | 166 Ų | 166 | 117.9 Ų | 117.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -40 | 117.4 | 152.3 | -4.7 | 175 | 0 | 0 | 0 | 108.2 | G629 | I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 PolarHBondContact O-N 3.45Å | ||
| 628 | S | 37.8 | Very low | 39.7 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -57.7 | 110.9 | 144.5 | -71.6 | 0 | 0 | 0 | 0 | 104.5 | G626 | G626-S628 PolarHBondContact O-N 3.22Å; G626-S628 VanDerWaalsContact O-N 3.08Å | ||
| 629 | G | 40.4 | Very low | 39 | Very low | 45 Ų | 45 | 116.8 Ų | 116.8 | 46% | 0.464 | 76% | 0.756 | S | S | . | * | trans | -55.5 | 160.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I627 V631 | I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 PolarHBondContact O-N 3.45Å; G629-V631 PolarHBondContact O-N 3.26Å; G629-V631 VanDerWaalsContact O-N 3.07Å | ||
| 630 | P | 39.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 112.2 Ų | 112.2 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | -52.5 | 124.2 | 173.5 | 24.6 | -33.8 | 0 | 0 | 0 | 108.5 | G632 | P630-G632 PolarHBondContact O-N 3.29Š| ||
| 631 | V | 43.7 | Very low | 39.3 | Very low | 149 Ų | 149 | 111.8 Ų | 111.8 | 90% | 0.903 | 73% | 0.732 | S | S | * | * | trans | -68.5 | 93.7 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 105.9 | G629 | G629-V631 PolarHBondContact O-N 3.26Å; G629-V631 VanDerWaalsContact O-N 3.07Å | ||
| 632 | G | 40.4 | Very low | 39.7 | Very low | 54 Ų | 54 | 113.1 Ų | 113.1 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 151.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | P630 | P630-G632 PolarHBondContact O-N 3.29Š|
| 633 | S | 36.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 109.8 Ų | 109.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -54.3 | 153.3 | 166.7 | 38.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 634 | P | 40.4 | Very low | 40.1 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152 | -155.4 | -18.5 | 33 | 0 | 0 | 0 | 115.1 | ||
| 635 | G | 36.7 | Very low | 40.8 | Very low | 70 Ų | 70 | 110 Ų | 110 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -164.5 | 88.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 636 | V | 37 | Very low | 41.1 | Very low | 150 Ų | 150 | 109.4 Ų | 109.4 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | 20.9 | 121.6 | 155.7 | -69.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 637 | T | 42.2 | Very low | 41.3 | Very low | 152 Ų | 152 | 109.8 Ų | 109.8 | 93% | 0.933 | 74% | 0.744 | S | S | * | * | trans | -69.6 | 149.6 | 169.9 | -41.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 638 | G | 43.4 | Very low | 42 | Very low | 55 Ų | 55 | 107.8 Ų | 107.8 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | cis | 151 | 146 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 639 | M | 37 | Very low | 42.4 | Very low | 118 Ų | 118 | 109.3 Ų | 109.3 | 58% | 0.581 | 75% | 0.745 | S | S | * | * | trans | -150.4 | 168.6 | 179.1 | -79.8 | -153.8 | 147.7 | 0 | 0 | 116.6 | G659 | M639-G659 VanDerWaalsContact CE-O 3.31Å; M639-G659 WeakPolarHBondContact CE-O 3.34Å; M639-G659 VanDerWaalsContact CG-N 3.31Å; M639-G659 VanDerWaalsContact SD-CA 3.54Å; M639-G659 PolarHBondContact SD-N 3.01Å; M639-G659 VanDerWaalsContact SD-O 3.36Å | ||
| 640 | K | 39.7 | Very low | 42.4 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | trans | -79.1 | 160.4 | -167.3 | -130.5 | 158.3 | 169.2 | 172.6 | 0 | 113.4 | K658 | K640-K658 HydrophobicContact CB-CB 3.61Å; K640-K658 HydrophobicContact CB-CD 4.17Å; K640-K658 HydrophobicContact CD-CB 3.82Å; K640-K658 HydrophobicContact CD-CD 4.36Å; K640-K658 HydrophobicContact CG-CB 3.95Å; K640-K658 HydrophobicContact CG-CD 3.97Å | ||
| 641 | G | 47.2 | Very low | 42.6 | Very low | 53 Ų | 53 | 111.5 Ų | 111.5 | 55% | 0.546 | 75% | 0.745 | S | S | . | * | cis | 111.7 | 142 | 0.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 642 | D | 41.4 | Very low | 42.9 | Very low | 167 Ų | 167 | 114.4 Ų | 114.4 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -109.9 | 160.7 | 177.9 | -94.2 | -28.3 | 0 | 0 | 0 | 114.5 | ||||
| 643 | P | 49.7 | Very low | 43 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | -103.5 | 178.9 | -159.2 | 0.9 | 24.3 | 0 | 0 | 0 | 114.1 | ||||
| 644 | G | 36.9 | Very low | 43.2 | Very low | 69 Ų | 69 | 116.8 Ų | 116.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -172.4 | -175.5 | 13.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 645 | P | 48.2 | Very low | 43.5 | Very low | 120 Ų | 120 | 116 Ų | 116 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -102 | 171.5 | -157.1 | 44.1 | -39.1 | 0 | 0 | 0 | 112.9 | ||||
| 646 | P | 50.3 | Low | 43.4 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | -144 | 166.9 | 82.8 | 32.2 | -12.4 | 0 | 0 | 0 | 113.7 | |||||
| 647 | G | 42.2 | Very low | 43.7 | Very low | 66 Ų | 66 | 115.1 Ų | 115.1 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | cis | -174.6 | 132.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 648 | P | 50.1 | Low | 43.4 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | trans | -96.7 | 152.9 | -164.1 | 36.8 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 649 | V | 47.6 | Very low | 43 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | trans | -146.9 | 114.2 | 153.7 | -166.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 650 | G | 39.2 | Very low | 42.8 | Very low | 47 Ų | 47 | 113.6 Ų | 113.6 | 49% | 0.485 | 71% | 0.71 | S | S | . | * | cis | 105.1 | 101.6 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 651 | Q | 45.1 | Very low | 43 | Very low | 176 Ų | 176 | 113.7 Ų | 113.7 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | -147 | 144.5 | 122.9 | -78.8 | -130.7 | 21.7 | 0 | 0 | 110.9 | |||||
| 652 | R | 50 | Low | 42.6 | Very low | 210 Ų | 210 | 115 Ų | 115 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | cis | 178.1 | 157.7 | -33.1 | -119.3 | 173 | -178.4 | 154.3 | -3.3 | 106.1 | ||||
| 653 | G | 42 | Very low | 42.5 | Very low | 59 Ų | 59 | 111.8 Ų | 111.8 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | 102 | 118 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 654 | D | 40.5 | Very low | 41.9 | Very low | 161 Ų | 161 | 113.1 Ų | 113.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | cis | -136.8 | 156.6 | -12.5 | -92.7 | -50.9 | 0 | 0 | 0 | 111.4 | ||||
| 655 | P | 46.3 | Very low | 42.1 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -92.1 | 147.8 | -153.7 | -6.2 | 27.3 | 0 | 0 | 0 | 112.4 | ||||
| 656 | G | 35.5 | Very low | 41.9 | Very low | 78 Ų | 78 | 114 Ų | 114 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -77 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 657 | T | 43 | Very low | 42.3 | Very low | 124 Ų | 124 | 113.3 Ų | 113.3 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | trans | -113.5 | 138.3 | 165.8 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 658 | K | 37.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 57% | 0.574 | 73% | 0.734 | S | S | * | * | trans | -128.8 | 147.5 | 164.9 | -63.3 | -153.5 | -90.7 | 176.1 | 0 | 108.5 | K640 | K640-K658 HydrophobicContact CB-CB 3.61Å; K640-K658 HydrophobicContact CB-CD 4.17Å; K640-K658 HydrophobicContact CD-CB 3.82Å; K640-K658 HydrophobicContact CD-CD 4.36Å; K640-K658 HydrophobicContact CG-CB 3.95Å; K640-K658 HydrophobicContact CG-CD 3.97Å | ||
| 659 | G | 34.9 | Very low | 42.6 | Very low | 21 Ų | 21 | 109.8 Ų | 109.8 | 22% | 0.216 | 71% | 0.713 | C | S | . | * | trans | 84.2 | 157.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M639 | M639-G659 VanDerWaalsContact CE-O 3.31Å; M639-G659 WeakPolarHBondContact CE-O 3.34Å; M639-G659 VanDerWaalsContact CG-N 3.31Å; M639-G659 VanDerWaalsContact SD-CA 3.54Å; M639-G659 PolarHBondContact SD-N 3.01Å; M639-G659 VanDerWaalsContact SD-O 3.36Å | ||
| 660 | L | 32.7 | Very low | 42.7 | Very low | 141 Ų | 141 | 108.5 Ų | 108.5 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | cis | -144.3 | -146.2 | 13.6 | -68.3 | 163.8 | 0 | 0 | 0 | 110.2 | ||||
| 661 | P | 43.8 | Very low | 43.3 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | -132.4 | 179.3 | -118.2 | 38.4 | -15.8 | 0 | 0 | 0 | 116.1 | |||||
| 662 | G | 38.8 | Very low | 43.5 | Very low | 79 Ų | 79 | 106.9 Ų | 106.9 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | 65.9 | 86.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 663 | A | 37.7 | Very low | 43.3 | Very low | 100 Ų | 100 | 103.7 Ų | 103.7 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | 175.3 | 136.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 664 | V | 38.9 | Very low | 43 | Very low | 144 Ų | 144 | 103 Ų | 103 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | cis | -136.3 | 176.6 | 2 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 665 | G | 41 | Very low | 42.8 | Very low | 69 Ų | 69 | 104.2 Ų | 104.2 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -62 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 666 | T | 44.1 | Very low | 42.5 | Very low | 139 Ų | 139 | 110.3 Ų | 110.3 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -67.9 | 174.7 | -176.1 | 58.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 667 | P | 57.9 | Low | 42.8 | Very low | 120 Ų | 120 | 109.6 Ų | 109.6 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | -137 | 175.3 | -57.3 | 40.3 | -24.1 | 0 | 0 | 0 | 112.4 | |||||
| 668 | G | 49.6 | Very low | 42.6 | Very low | 62 Ų | 62 | 109.3 Ų | 109.3 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | trans | 94.3 | 151.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 669 | P | 49.2 | Very low | 42.9 | Very low | 55 Ų | 55 | 108.6 Ų | 108.6 | 36% | 0.357 | 72% | 0.722 | S | S | . | * | cis | -142.8 | 69.1 | 21.3 | 43.9 | -24 | 0 | 0 | 0 | 111.5 | G671 P672 D673 G674 | P669-G671 PolarHBondContact O-N 3.38Å; P669-P672 CarbonylContact O-C 3.21Å; P669-D673 CarbonylContact O-C 2.91Å; P669-D673 WeakPolarHBondContact O-CA 3.34Å; P669-D673 PolarHBondContact O-N 2.95Å; P669-G674 VanDerWaalsContact CG-N 3.3Å; P669-G674 PolarHBondContact O-N 3.14Å | ||
| 670 | P | 49.2 | Very low | 43 | Very low | 123 Ų | 123 | 111.1 Ų | 111.1 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -86.4 | 47.8 | -163.1 | 35.4 | -35.4 | 0 | 0 | 0 | 112.1 | ||||
| 671 | G | 51.6 | Low | 43.3 | Very low | 71 Ų | 71 | 112.1 Ų | 112.1 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -72.1 | -26.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | P669 D673 | P669-G671 PolarHBondContact O-N 3.38Å; G671-D673 VanDerWaalsContact CA-N 3.34Å; G671-D673 VanDerWaalsContact N-N 3.17Å |
| 672 | P | 48.8 | Very low | 43.3 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -75.7 | 0.1 | 19.3 | -21.6 | 37.3 | 0 | 0 | 0 | 117.8 | P669 | P669-P672 CarbonylContact O-C 3.21Š|
| 673 | D | 46.1 | Very low | 43.4 | Very low | 142 Ų | 142 | 112.5 Ų | 112.5 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -107.6 | 150.9 | -169 | -78.4 | -4.9 | 0 | 0 | 0 | 116.2 | P669 G671 | P669-D673 CarbonylContact O-C 2.91Å; P669-D673 WeakPolarHBondContact O-CA 3.34Å; P669-D673 PolarHBondContact O-N 2.95Å; G671-D673 VanDerWaalsContact CA-N 3.34Å; G671-D673 VanDerWaalsContact N-N 3.17Å | ||
| 674 | G | 36.3 | Very low | 43.2 | Very low | 45 Ų | 45 | 119.5 Ų | 119.5 | 46% | 0.464 | 76% | 0.757 | S | S | . | * | cis | -172.4 | -4.9 | -13.2 | 0 | 0 | 0 | 0 | 0 | 117 | P669 R676 | P669-G674 VanDerWaalsContact CG-N 3.3Å; P669-G674 PolarHBondContact O-N 3.14Å; G674-R676 PolarHBondContact O-N 3.34Å | ||
| 675 | E | 37.3 | Very low | 43.2 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -3.4 | 80.2 | -153.8 | -82.3 | -147.8 | 172.4 | 0 | 0 | 116.7 | ||||
| 676 | R | 38.8 | Very low | 43.3 | Very low | 247 Ų | 247 | 124.3 Ų | 124.3 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -116.6 | 122.7 | 146.6 | -174.6 | -169.7 | -63 | -171.1 | 1.3 | 106.2 | G674 | G674-R676 PolarHBondContact O-N 3.34Š| ||
| 677 | G | 42.7 | Very low | 43.2 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | -161.1 | -178.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 678 | P | 39 | Very low | 42.5 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -110 | 174.6 | -142 | 40.7 | -38.4 | 0 | 0 | 0 | 116.3 | ||||
| 679 | S | 42 | Very low | 41.9 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 98.1 | 117.8 | 143.8 | -60.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 680 | G | 37.2 | Very low | 41.7 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 96.1 | 127.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 681 | L | 38.8 | Very low | 41.4 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | cis | -152.9 | 156.7 | 6.6 | -98.5 | 168.3 | 0 | 0 | 0 | 110.5 | ||||
| 682 | T | 43.6 | Very low | 40.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | 22.7 | 135.3 | 154.4 | 50.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 683 | G | 41.5 | Very low | 40.4 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | cis | 179.4 | 170.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 684 | R | 34.2 | Very low | 40.1 | Very low | 248 Ų | 248 | 137.4 Ų | 137.4 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -62.3 | 161.2 | 179.1 | -60.7 | 167.2 | 162.4 | -177.4 | -7.4 | 112 | ||||
| 685 | R | 38.3 | Very low | 40.1 | Very low | 244 Ų | 244 | 138.7 Ų | 138.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | 161 | 133.5 | 91.4 | -174 | -179.4 | -155.9 | -171.6 | 7.1 | 115 | |||||
| 686 | G | 42.9 | Very low | 41.1 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 79.4 | 178.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 687 | R | 43 | Very low | 41.8 | Very low | 242 Ų | 242 | 129.6 Ų | 129.6 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | cis | -151.5 | 163.6 | -22.8 | -144.5 | 178.7 | -175.8 | -164.6 | -0.3 | 105.8 | ||||
| 688 | G | 43.1 | Very low | 41.8 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -93.3 | 145.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | D690 | G688-D690 VanDerWaalsContact C-OD2 3.31Š| ||
| 689 | G | 37.4 | Very low | 42.2 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 146.2 | -126.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 690 | D | 44.7 | Very low | 42.5 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | trans | 68.7 | 63.3 | 131 | -42.3 | -25.5 | 0 | 0 | 0 | 114.9 | G688 | G688-D690 VanDerWaalsContact C-OD2 3.31Š| ||
| 691 | K | 41.8 | Very low | 42.8 | Very low | 204 Ų | 204 | 126 Ų | 126 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | 77.1 | 126.2 | 53.1 | -158.3 | -179.6 | -179 | -177.1 | 0 | 111.7 | |||||
| 692 | G | 39.3 | Very low | 43.2 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 166.5 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 693 | D | 39.9 | Very low | 42.9 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | 62.5 | 131.2 | 148.3 | -37.4 | -40.4 | 0 | 0 | 0 | 116.8 | ||||
| 694 | I | 40.1 | Very low | 42.8 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | cis | -165.3 | 145.4 | 30.2 | -60.9 | 174.3 | 0 | 0 | 0 | 111.7 | ||||
| 695 | G | 36.7 | Very low | 43.3 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 103.4 | 134.3 | 139 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 696 | P | 58.9 | Low | 43.5 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -115.2 | 167.6 | 178.6 | 42.7 | -34.4 | 0 | 0 | 0 | 116.8 | ||||
| 697 | P | 52 | Low | 43 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | -162.4 | 160.5 | 116.1 | 40.1 | -20.2 | 0 | 0 | 0 | 118.6 | |||||
| 698 | G | 43.7 | Very low | 42.7 | Very low | 46 Ų | 46 | 114.8 Ų | 114.8 | 47% | 0.474 | 73% | 0.731 | S | S | . | * | S | Bend | trans | 103.1 | 127 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | P700 | G698-P700 VanDerWaalsContact C-CA 3.42Å; G698-P700 VanDerWaalsContact C-CB 3.48Å; G698-P700 CarbonylContact C-O 3.54Å; G698-P700 VanDerWaalsContact C-O 3.27Å; G698-P700 WeakPolarHBondContact CA-O 3.35Å; G698-P700 WeakPolarHBondContact O-CB 3.49Å |
| 699 | S | 46.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 60.5 | 15.3 | -167 | 76.9 | 0 | 0 | 0 | 0 | 123.5 | ||
| 700 | P | 48.2 | Very low | 42.4 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 53% | 0.532 | 74% | 0.739 | S | S | . | * | cis | 38.6 | -178.1 | -1 | -29.2 | -0.7 | 0 | 0 | 0 | 122.6 | G698 E702 | G698-P700 VanDerWaalsContact C-CA 3.42Å; G698-P700 VanDerWaalsContact C-CB 3.48Å; G698-P700 CarbonylContact C-O 3.54Å; G698-P700 VanDerWaalsContact C-O 3.27Å; G698-P700 WeakPolarHBondContact CA-O 3.35Å; G698-P700 WeakPolarHBondContact O-CB 3.49Å; P700-E702 VanDerWaalsContact CA-N 3.28Å; P700-E702 VanDerWaalsContact CD-OE2 3.32Å; P700-E702 WeakPolarHBondContact CD-OE2 3.27Å | ||
| 701 | G | 44.2 | Very low | 42.1 | Very low | 57 Ų | 57 | 121.4 Ų | 121.4 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -74.6 | 69.3 | -22.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 702 | E | 47.3 | Very low | 42.3 | Very low | 132 Ų | 132 | 116.4 Ų | 116.4 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | trans | -95.7 | 144.5 | -159.1 | -75.1 | 158.5 | -168.1 | 0 | 0 | 111.3 | P700 | P700-E702 VanDerWaalsContact CA-N 3.28Å; P700-E702 VanDerWaalsContact CD-OE2 3.32Å; P700-E702 WeakPolarHBondContact CD-OE2 3.27Å | ||
| 703 | T | 36.4 | Very low | 42.2 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -134.8 | 110.8 | -32.1 | -70.3 | 0 | 0 | 0 | 0 | 107.2 | ||
| 704 | G | 40.9 | Very low | 42.7 | Very low | 68 Ų | 68 | 113.6 Ų | 113.6 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 70 | 94.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q706 | G704-Q706 PolarHBondContact O-N 2.68Š| ||
| 705 | Q | 44.1 | Very low | 42.6 | Very low | 212 Ų | 212 | 116.1 Ų | 116.1 | 99% | 0.991 | 73% | 0.725 | S | S | * | * | trans | -68.3 | 112.1 | 141.6 | -92.6 | -166.9 | -3.3 | 0 | 0 | 109.3 | ||||
| 706 | Q | 41.5 | Very low | 43 | Very low | 175 Ų | 175 | 115.4 Ų | 115.4 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -128.3 | 129.8 | 151 | -174.1 | 177.4 | 1.7 | 0 | 0 | 105.9 | G704 | G704-Q706 PolarHBondContact O-N 2.68Š| ||
| 707 | G | 32.8 | Very low | 42.5 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | 113.8 | 54.7 | 9.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 708 | Q | 36.6 | Very low | 42.1 | Very low | 157 Ų | 157 | 114.7 Ų | 114.7 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -168.8 | 126.6 | 147.4 | -109.5 | 163.9 | 75.4 | 0 | 0 | 113.8 | ||||
| 709 | R | 41.4 | Very low | 41.7 | Very low | 231 Ų | 231 | 115.9 Ų | 115.9 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | 49.7 | 114.8 | 134 | -166.1 | -175.1 | -63.2 | 177.6 | 1 | 118.1 | ||||
| 710 | G | 34 | Very low | 41.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | cis | 125.7 | 132.4 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 711 | A | 37.7 | Very low | 41 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -138.8 | 143.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 712 | P | 45.2 | Very low | 40.8 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | -102.4 | 167.4 | -155.3 | -0.2 | 23.4 | 0 | 0 | 0 | 114.7 | ||||
| 713 | G | 37.8 | Very low | 40.9 | Very low | 58 Ų | 58 | 127.5 Ų | 127.5 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | trans | -82.8 | -152.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 714 | P | 51.3 | Low | 41 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | -113.5 | 166.6 | -106.4 | 38.7 | -35.2 | 0 | 0 | 0 | 114.8 | |||||
| 715 | R | 37.1 | Very low | 40.7 | Very low | 226 Ų | 226 | 127.1 Ų | 127.1 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -138.8 | 117.2 | 157.3 | -177.8 | 163.2 | -174.5 | -179.6 | 4.1 | 111.9 | ||||
| 716 | G | 44.2 | Very low | 40.3 | Very low | 57 Ų | 57 | 126.8 Ų | 126.8 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 166.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 717 | P | 49.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 142 | -149 | 31.1 | -37.1 | 0 | 0 | 0 | 115.1 | ||
| 718 | P | 42.3 | Very low | 40 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 134.1 | 147.4 | -12.5 | 30.1 | 0 | 0 | 0 | 109.9 | ||
| 719 | G | 36.3 | Very low | 39.8 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 161.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 720 | R | 44.3 | Very low | 39.8 | Very low | 241 Ų | 241 | 123.4 Ų | 123.4 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | 14.9 | 120 | 151.7 | -70.3 | 178.4 | 169.8 | -179.3 | -4 | 117.4 | ||||
| 721 | F | 36.2 | Very low | 39.8 | Very low | 217 Ų | 217 | 123.2 Ų | 123.2 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | -92.9 | 148.5 | 120.4 | -96.5 | -87.9 | 0 | 0 | 0 | 110.5 | |||||
| 722 | G | 39.4 | Very low | 39.8 | Very low | 56 Ų | 56 | 124.3 Ų | 124.3 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | trans | -80.9 | -173 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 723 | P | 49.6 | Very low | 39.5 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -82 | 152.4 | -162.7 | 33.8 | -36.5 | 0 | 0 | 0 | 112.9 | G725 | P723-G725 PolarHBondContact O-N 3.25Å; P723-G725 VanDerWaalsContact O-N 3.1Å | ||
| 724 | P | 38.6 | Very low | 39.9 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 102.5 | 145.6 | -10.5 | 27.8 | 0 | 0 | 0 | 107 | ||||
| 725 | G | 34.4 | Very low | 39.4 | Very low | 54 Ų | 54 | 128.5 Ų | 128.5 | 56% | 0.557 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 163.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P723 K727 | P723-G725 PolarHBondContact O-N 3.25Å; P723-G725 VanDerWaalsContact O-N 3.1Å; G725-K727 PolarHBondContact O-N 3.35Å; G725-K727 VanDerWaalsContact O-N 3.08Å | ||
| 726 | M | 35.2 | Very low | 39.5 | Very low | 205 Ų | 205 | 124.8 Ų | 124.8 | 100% | 1.01 | 80% | 0.796 | S | S | * | * | trans | -63.2 | 109.7 | 161.8 | -67.6 | -179.7 | 74.3 | 0 | 0 | 109.1 | ||||
| 727 | K | 34.6 | Very low | 39.3 | Very low | 206 Ų | 206 | 125.3 Ų | 125.3 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -158.2 | 127.1 | 169.7 | -175 | -172.9 | -178.9 | -170.4 | 0 | 106.4 | G725 | G725-K727 PolarHBondContact O-N 3.35Å; G725-K727 VanDerWaalsContact O-N 3.08Å | ||
| 728 | G | 33.8 | Very low | 38.8 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | 173 | 151.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 729 | D | 33.9 | Very low | 38.5 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 152.8 | -172.9 | -78.6 | -54.6 | 0 | 0 | 0 | 114.3 | ||||
| 730 | A | 40.6 | Very low | 38.8 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 78.1 | 129.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 731 | G | 33 | Very low | 38.5 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 159.5 | 113.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 732 | P | 37.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -94.7 | 143.5 | -173.8 | 34.6 | -34.3 | 0 | 0 | 0 | 116.7 | ||||
| 733 | V | 39.1 | Very low | 38.5 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 56.5 | 114.5 | 148.1 | -173.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 734 | G | 46 | Very low | 37.5 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 77.8 | 165.8 | 141 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 735 | P | 42.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | cis | -134.3 | -174.7 | 1.5 | 42.5 | -24.4 | 0 | 0 | 0 | 117.2 | ||||
| 736 | V | 38.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -39.7 | 155.2 | 171 | -176.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 737 | G | 40.1 | Very low | 37 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 145.6 | 172.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 738 | S | 39.5 | Very low | 37.1 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 163.6 | 165.6 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 739 | V | 36.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -138.6 | 148.3 | -152.3 | 171.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 740 | G | 42.5 | Very low | 37.9 | Very low | 61 Ų | 61 | 118.4 Ų | 118.4 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 100.6 | 160.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 741 | P | 38 | Very low | 38 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -99.3 | 166.1 | 1.1 | 39.9 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 742 | I | 36.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 120 Ų | 120 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | cis | 78.5 | 131.1 | 37.4 | -62.5 | 179.5 | 0 | 0 | 0 | 115 | ||||
| 743 | G | 37.9 | Very low | 38.7 | Very low | 64 Ų | 64 | 120.2 Ų | 120.2 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 118 | 96 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 744 | E | 29.9 | Very low | 39.2 | Very low | 174 Ų | 174 | 119.4 Ų | 119.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | 55.8 | 133.8 | 45.1 | -63.2 | -159.5 | 143.5 | 0 | 0 | 112.7 | ||||
| 745 | Q | 34 | Very low | 39 | Very low | 167 Ų | 167 | 119.2 Ų | 119.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -162 | 157.4 | 9.8 | -151.9 | -179.3 | -0.9 | 0 | 0 | 112.1 | ||||
| 746 | G | 34 | Very low | 39 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 91.4 | 162.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 747 | L | 29.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | cis | -168 | 139.6 | -5.1 | -112.4 | 169.4 | 0 | 0 | 0 | 109.7 | ||||
| 748 | Q | 36.6 | Very low | 40 | Very low | 194 Ų | 194 | 120.1 Ų | 120.1 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | 64.1 | 154 | 154.6 | -135.8 | 160.2 | 39.4 | 0 | 0 | 116.9 | ||||
| 749 | G | 37.7 | Very low | 40.7 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | -169 | -173.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 750 | P | 46.1 | Very low | 41.9 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -112.3 | 156.2 | -145.1 | 39.5 | -34.6 | 0 | 0 | 0 | 117.5 | ||||
| 751 | V | 42.1 | Very low | 42.1 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 92% | 0.915 | 78% | 0.776 | S | S | * | * | trans | -144.1 | 148.4 | 152.8 | -179.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 752 | G | 37.8 | Very low | 42.2 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -88 | -165.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 753 | P | 49.7 | Very low | 42.6 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -103.7 | 163.5 | -149.1 | 39.2 | -37.7 | 0 | 0 | 0 | 116.2 | ||||
| 754 | P | 48.3 | Very low | 42.9 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -102.9 | 149.5 | 142.6 | -9.8 | 29.1 | 0 | 0 | 0 | 112.7 | ||||
| 755 | G | 43 | Very low | 43.1 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -78.3 | -176 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 756 | P | 42.1 | Very low | 43.2 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 149.2 | -166 | 32.6 | -36.3 | 0 | 0 | 0 | 114.2 | ||
| 757 | I | 52.4 | Low | 43.6 | Very low | 174 Ų | 174 | 123.6 Ų | 123.6 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 116.5 | 152.9 | -64.9 | 175.3 | 0 | 0 | 0 | 106.5 | ||
| 758 | G | 45.7 | Very low | 44.2 | Very low | 56 Ų | 56 | 122.5 Ų | 122.5 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 151.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 759 | P | 54.5 | Low | 44.5 | Very low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 152.6 | 160 | 30.4 | -32.6 | 0 | 0 | 0 | 110 | ||
| 760 | P | 62.5 | Low | 44.3 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.6 | -171.3 | -26.1 | 35.5 | 0 | 0 | 0 | 114.5 | ||
| 761 | G | 45.5 | Very low | 44 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T763 | G761-T763 PolarHBondContact O-N 3Å; G761-T763 VanDerWaalsContact O-N 3.13Å |
| 762 | S | 41.3 | Very low | 44.3 | Very low | 122 Ų | 122 | 121 Ų | 121 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -64 | 108 | 170.3 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | G764 | S762-G764 PolarHBondContact O-N 3.3Š| ||
| 763 | T | 43.9 | Very low | 44.8 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -60.8 | 132 | 173 | -44.2 | 0 | 0 | 0 | 0 | 110.3 | G761 | G761-T763 PolarHBondContact O-N 3Å; G761-T763 VanDerWaalsContact O-N 3.13Å | ||
| 764 | G | 43.8 | Very low | 44.6 | Very low | 72 Ų | 72 | 121.4 Ų | 121.4 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 25.3 | 103.1 | 158 | 0 | 0 | 0 | 0 | 0 | 119.2 | S762 | S762-G764 PolarHBondContact O-N 3.3Š| ||
| 765 | R | 34.8 | Very low | 44.3 | Very low | 250 Ų | 250 | 126.2 Ų | 126.2 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -99.7 | 106.7 | 153.1 | -159.4 | -176.1 | -163 | -171.3 | 6.1 | 108.3 | ||||
| 766 | E | 35.7 | Very low | 44.4 | Very low | 192 Ų | 192 | 126.3 Ų | 126.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -99.1 | 144 | 160.5 | -73.4 | -165.9 | 135.2 | 0 | 0 | 109.8 | ||||
| 767 | G | 41.9 | Very low | 44.2 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -89.3 | -163.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 768 | P | 43 | Very low | 44 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -137.9 | 141.7 | 61.6 | 28.9 | -9.1 | 0 | 0 | 0 | 117.4 | |||||
| 769 | V | 42.8 | Very low | 43.9 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | 49.3 | 118 | 138.1 | -169.9 | 0 | 0 | 0 | 0 | 120 | F771 | V769-F771 HydrophobicContact CG1-CE2 4.26Š| ||
| 770 | G | 34.1 | Very low | 43.2 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -106.9 | 171.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 771 | F | 38.4 | Very low | 42.2 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -119.3 | 156.9 | 171.3 | -82.8 | -73 | 0 | 0 | 0 | 110.6 | V769 | V769-F771 HydrophobicContact CG1-CE2 4.26Š| ||
| 772 | P | 48.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -101.3 | 151.5 | -135.1 | -4.2 | 25.7 | 0 | 0 | 0 | 115 | ||||
| 773 | G | 48.1 | Very low | 42.2 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 139.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R775 | G773-R775 PolarHBondContact O-N 2.99Š| ||
| 774 | P | 46.5 | Very low | 42.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | -75.1 | 110.6 | 174.2 | 29.2 | -32.5 | 0 | 0 | 0 | 112 | ||||
| 775 | R | 40.7 | Very low | 42 | Very low | 227 Ų | 227 | 134.3 Ų | 134.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | 22.4 | 108.5 | 146.1 | -170.9 | 175.9 | -172.5 | 164 | 0.9 | 117.8 | G773 | G773-R775 PolarHBondContact O-N 2.99Š| ||
| 776 | G | 45.2 | Very low | 42.1 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 777 | E | 38.4 | Very low | 42.5 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 158.1 | 172.4 | -70.3 | -163.2 | 132.6 | 0 | 0 | 112 | ||
| 778 | P | 47.6 | Very low | 42.3 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 137.8 | -170.1 | -19.3 | 33.3 | 0 | 0 | 0 | 113.4 | ||
| 779 | G | 44.8 | Very low | 42 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 780 | E | 39.2 | Very low | 41.6 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 140.7 | -178.2 | -66.6 | -172.1 | 132 | 0 | 0 | 112.8 | G782 | E780-G782 PolarHBondContact O-N 3.25Š|
| 781 | R | 42.4 | Very low | 41.6 | Very low | 241 Ų | 241 | 131.2 Ų | 131.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -73.6 | 113.9 | 176.9 | 176.7 | -177.1 | -68.6 | -175.5 | -2.4 | 109.9 | ||||
| 782 | G | 47.1 | Very low | 41.5 | Very low | 58 Ų | 58 | 129.7 Ų | 129.7 | 60% | 0.598 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 147.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E780 A784 | E780-G782 PolarHBondContact O-N 3.25Å; G782-A784 PolarHBondContact O-N 3.4Å |
| 783 | P | 39.6 | Very low | 41.1 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 130.1 | -172.1 | 28.1 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 784 | A | 43 | Very low | 40.6 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79 | 137.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | G782 | G782-A784 PolarHBondContact O-N 3.4Š|
| 785 | G | 39.9 | Very low | 40.2 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 151.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P787 | G785-P787 WeakPolarHBondContact O-CD 3.5Š|
| 786 | Q | 37.9 | Very low | 40.9 | Very low | 201 Ų | 201 | 126.6 Ų | 126.6 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.6 | 174.3 | -70.9 | 179.1 | -25.8 | 0 | 0 | 112.3 | ||
| 787 | P | 43 | Very low | 40.7 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -123.7 | 128.5 | 156.6 | 12.4 | 10.1 | 0 | 0 | 0 | 113.1 | G785 | G785-P787 WeakPolarHBondContact O-CD 3.5Š| ||
| 788 | G | 39.3 | Very low | 40.7 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 74.7 | 144.9 | 139 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 789 | S | 34.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -117.9 | 145.3 | -170.8 | 53.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 790 | L | 36.2 | Very low | 40.8 | Very low | 173 Ų | 173 | 126 Ų | 126 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | 78.8 | 128.3 | 140.2 | -153.5 | 77.7 | 0 | 0 | 0 | 122.7 | ||||
| 791 | G | 33.7 | Very low | 40.7 | Very low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | 99 | 143.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 792 | N | 35.2 | Very low | 41.2 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | cis | -151.7 | 163.1 | -4.3 | -89.4 | -25.4 | 0 | 0 | 0 | 110.5 | ||||
| 793 | T | 40.7 | Very low | 40.8 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -68.5 | 151.3 | -173.7 | -42 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 794 | G | 38.1 | Very low | 40.8 | Very low | 63 Ų | 63 | 119.8 Ų | 119.8 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | -148.6 | 146.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 795 | P | 37.8 | Very low | 41 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -92.8 | 165.6 | -158.3 | 36.5 | -37.6 | 0 | 0 | 0 | 116.3 | ||||
| 796 | P | 55.9 | Low | 40.9 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 162.9 | -168.6 | 38.1 | -37.4 | 0 | 0 | 0 | 116.7 | ||||
| 797 | G | 39.7 | Very low | 40.9 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 149.1 | 168.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 798 | P | 39.7 | Very low | 40.7 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | cis | -123.7 | -174.1 | -19.7 | 38.9 | -22.7 | 0 | 0 | 0 | 112.9 | ||||
| 799 | I | 51.7 | Low | 40.8 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -92.4 | 151.7 | -179.7 | -72.9 | 170.5 | 0 | 0 | 0 | 112.5 | ||||
| 800 | G | 42.1 | Very low | 41.1 | Very low | 61 Ų | 61 | 127.3 Ų | 127.3 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 158.4 | 153.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 801 | D | 37.1 | Very low | 41.3 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | cis | -156.4 | 162.8 | -23.3 | -97.5 | -33.3 | 0 | 0 | 0 | 108 | ||||
| 802 | P | 52.6 | Low | 41.8 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -108.6 | 158.9 | -158.3 | 38.4 | -33.9 | 0 | 0 | 0 | 118.5 | ||||
| 803 | G | 38.8 | Very low | 42.3 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 119 | 164.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 804 | P | 40.5 | Very low | 42.2 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | cis | -130.1 | -166.4 | 1.2 | 41.6 | -23.5 | 0 | 0 | 0 | 115.2 | ||||
| 805 | E | 46.8 | Very low | 42.5 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -115.2 | 154 | -166.6 | -177.3 | 178.3 | -147.9 | 0 | 0 | 114.6 | ||||
| 806 | G | 37.4 | Very low | 42.7 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | 141.4 | 146.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 807 | Q | 37.6 | Very low | 41.9 | Very low | 206 Ų | 206 | 124.6 Ų | 124.6 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | cis | -145.6 | 177.8 | 12.7 | -65.5 | 178.3 | -10.8 | 0 | 0 | 112 | ||||
| 808 | Q | 39.7 | Very low | 42 | Very low | 203 Ų | 203 | 124.7 Ų | 124.7 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -130.8 | 150.6 | -170.3 | -176.2 | -172.2 | 17.3 | 0 | 0 | 113.6 | ||||
| 809 | G | 40.2 | Very low | 41.7 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 147.2 | 162.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 810 | P | 41.7 | Very low | 41.5 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | cis | -124.6 | -171.7 | 4.3 | 41 | -25 | 0 | 0 | 0 | 115.1 | ||||
| 811 | V | 40.5 | Very low | 41.5 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 92% | 0.915 | 81% | 0.809 | S | S | * | * | trans | -133.6 | 151.6 | -169.6 | 168.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 812 | G | 45.1 | Very low | 41.7 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 117.5 | 156.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 813 | P | 44.6 | Very low | 41.2 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | cis | -132 | -164.2 | 23.8 | 41.5 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 814 | T | 38.1 | Very low | 41.2 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -134.6 | 149.7 | -159.7 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 815 | G | 44.3 | Very low | 41 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 86.3 | 162.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 816 | P | 43.3 | Very low | 41 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -108.8 | 158 | 7.1 | 37.5 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 817 | T | 38.7 | Very low | 41 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | 78.4 | 120.7 | 54.3 | -48.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 818 | G | 41.7 | Very low | 41.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 164.1 | 76.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 819 | D | 34.2 | Very low | 40.8 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -65.5 | 177.8 | 167.2 | -60.3 | -72.2 | 0 | 0 | 0 | 112.5 | ||||
| 820 | P | 47.5 | Very low | 40.5 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | cis | -133.8 | 154.8 | 7.7 | 36.5 | -16.3 | 0 | 0 | 0 | 116.1 | ||||
| 821 | G | 41.1 | Very low | 40.1 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 103.1 | 162.8 | 91.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 822 | K | 41.5 | Very low | 40.5 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | cis | -147.9 | 126.7 | 9.8 | -72.5 | -172.2 | -175.7 | 178 | 0 | 108.5 | ||||
| 823 | D | 43 | Very low | 40.2 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 79.3 | 138.4 | 106 | -56 | -26 | 0 | 0 | 0 | 113.5 | |||||
| 824 | G | 38.5 | Very low | 39.7 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 162.3 | 132 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 825 | M | 34.8 | Very low | 40.3 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 66 | 173.1 | 135.8 | -63.9 | -169.1 | 168.1 | 0 | 0 | 119.7 | ||||
| 826 | P | 47.1 | Very low | 40.1 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -112.3 | 161.8 | -19.1 | 8.1 | 16.7 | 0 | 0 | 0 | 111.4 | ||||
| 827 | G | 38.8 | Very low | 39.5 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | 94.3 | 145 | 64.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 828 | R | 38.3 | Very low | 39.5 | Very low | 215 Ų | 215 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | cis | -157.7 | 151.9 | 20.6 | -74.2 | -175.5 | 96.4 | 146.9 | 10.2 | 112.5 | ||||
| 829 | D | 33 | Very low | 39.3 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 37.5 | 128.7 | 127 | -35 | -30.4 | 0 | 0 | 0 | 117.7 | |||||
| 830 | G | 35 | Very low | 39.3 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | 136.4 | 167.2 | 43.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 831 | Q | 32.5 | Very low | 39.1 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | cis | -149.5 | 168.1 | -1.9 | -75.8 | 177.6 | -22.4 | 0 | 0 | 107.7 | ||||
| 832 | P | 49.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -99.6 | 152.9 | -177.6 | 36.7 | -33.9 | 0 | 0 | 0 | 116.2 | ||||
| 833 | G | 39.7 | Very low | 38.2 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 126.5 | 158.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 834 | P | 34.1 | Very low | 37.6 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | cis | -123.6 | -160.4 | 2.9 | 41.1 | -24.8 | 0 | 0 | 0 | 113.9 | ||||
| 835 | K | 48.8 | Very low | 37.4 | Very low | 216 Ų | 216 | 132 Ų | 132 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -139.6 | 140.5 | -169.4 | -165.4 | -176.9 | -171.1 | -179.1 | 0 | 113.3 | ||||
| 836 | G | 40.6 | Very low | 37.3 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 114.1 | 151.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 837 | V | 32 | Very low | 36.7 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | cis | -151 | 162.5 | 11.6 | -158.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 838 | R | 38.4 | Very low | 36.6 | Very low | 247 Ų | 247 | 134.6 Ų | 134.6 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -41.4 | 152.4 | 167.8 | 170.7 | -164.4 | -88.2 | 179.2 | -9.7 | 115.2 | ||||
| 839 | G | 37 | Very low | 36.5 | Very low | 61 Ų | 61 | 130.9 Ų | 130.9 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | 158 | 171.1 | -5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 840 | S | 33.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 71.9 | 164.8 | 167.5 | 82.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 841 | P | 43.2 | Very low | 36.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | cis | -137.8 | 166.4 | -48.5 | 36.5 | -19.9 | 0 | 0 | 0 | 116 | ||||
| 842 | G | 33.3 | Very low | 36.5 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 134.5 | 110.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 843 | V | 30.5 | Very low | 36.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | 74.8 | 126.3 | 131.1 | -177.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 844 | L | 31.5 | Very low | 36.2 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | 40.8 | 138.4 | 158.1 | -99.8 | 61.2 | 0 | 0 | 0 | 120.5 | ||||
| 845 | G | 33.7 | Very low | 36.3 | Very low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | cis | 146.2 | 145.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 846 | N | 34 | Very low | 35.6 | Very low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -176.8 | 149.9 | 145.2 | -93.8 | -26.2 | 0 | 0 | 0 | 113.4 | ||||
| 847 | Q | 32.6 | Very low | 35.5 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -65.5 | 154.9 | -158.6 | -64.5 | 166.3 | -41.5 | 0 | 0 | 118.3 | ||||
| 848 | G | 37.8 | Very low | 35.8 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -160.3 | 94.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 849 | V | 36.1 | Very low | 36 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -85.3 | 117.2 | -173.5 | -166.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 850 | R | 34.5 | Very low | 36 | Very low | 249 Ų | 249 | 130.8 Ų | 130.8 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -160.1 | 134.4 | 160.7 | -140.4 | 174.4 | -158.9 | -173.6 | 5.3 | 116 | ||||
| 851 | G | 35 | Very low | 36.3 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 92.6 | 115.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 852 | F | 31.4 | Very low | 36.2 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.4 | 159.9 | -75.8 | -98.5 | 0 | 0 | 0 | 108.9 | G854 | F852-G854 PolarHBondContact O-N 2.8Å; F852-G854 VanDerWaalsContact O-N 3.12Å |
| 853 | P | 43 | Very low | 36.5 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.5 | 151.3 | -17.9 | 31.8 | 0 | 0 | 0 | 106.7 | ||
| 854 | G | 38.5 | Very low | 37 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | F852 D856 | F852-G854 PolarHBondContact O-N 2.8Å; F852-G854 VanDerWaalsContact O-N 3.12Å; G854-D856 PolarHBondContact O-N 3.27Å; G854-D856 VanDerWaalsContact O-N 3.14Å |
| 855 | F | 36.1 | Very low | 37.4 | Very low | 208 Ų | 208 | 131.4 Ų | 131.4 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | -44.4 | 125.3 | 176.8 | -78.5 | -93 | 0 | 0 | 0 | 110.3 | G857 | F855-G857 PolarHBondContact O-N 2.97Š| ||
| 856 | D | 36 | Very low | 37.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -53.2 | 107.9 | 162.7 | -74.5 | -45.9 | 0 | 0 | 0 | 106.5 | G854 M858 | G854-D856 PolarHBondContact O-N 3.27Å; G854-D856 VanDerWaalsContact O-N 3.14Å; D856-M858 PolarHBondContact O-N 3.33Å | ||
| 857 | G | 38.6 | Very low | 37.9 | Very low | 64 Ų | 64 | 131.1 Ų | 131.1 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -55.8 | 142 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | F855 | F855-G857 PolarHBondContact O-N 2.97Š| ||
| 858 | M | 36.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 132 Ų | 132 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | trans | -44.8 | 134.1 | 169.3 | -61.1 | 179 | 86.3 | 0 | 0 | 107.9 | D856 G860 | D856-M858 PolarHBondContact O-N 3.33Å; M858-G860 PolarHBondContact O-N 3.06Å | ||
| 859 | P | 43.4 | Very low | 38.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -46.9 | 115.6 | 171.7 | -27.3 | 34.1 | 0 | 0 | 0 | 107.1 | R861 | P859-R861 PolarHBondContact O-N 3.22Š| ||
| 860 | G | 37.5 | Very low | 38.1 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | -51.7 | 134.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | M858 P862 | M858-G860 PolarHBondContact O-N 3.06Å; G860-P862 VanDerWaalsContact O-N 3.11Å | ||
| 861 | R | 38.1 | Very low | 38.3 | Very low | 236 Ų | 236 | 130 Ų | 130 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -45 | 130.2 | 164.7 | -73.4 | -174.6 | 177.5 | -162.1 | 1 | 105.6 | P859 G863 | P859-R861 PolarHBondContact O-N 3.22Å; R861-G863 PolarHBondContact O-N 3.47Å | ||
| 862 | P | 42 | Very low | 38.8 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -45.6 | 118.6 | 170.3 | -27.4 | 34.5 | 0 | 0 | 0 | 106.4 | G860 | G860-P862 VanDerWaalsContact O-N 3.11Š| ||
| 863 | G | 40 | Very low | 39.4 | Very low | 54 Ų | 54 | 124.1 Ų | 124.1 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55 | 151.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | R861 A865 | R861-G863 PolarHBondContact O-N 3.47Å; G863-A865 PolarHBondContact O-N 3.38Å |
| 864 | P | 39.6 | Very low | 39.1 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -48.5 | 127.2 | 159.5 | 25.7 | -33.1 | 0 | 0 | 0 | 106.3 | G866 | P864-G866 PolarHBondContact O-N 2.94Š|
| 865 | A | 40.6 | Very low | 38.9 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 122.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G863 V867 | G863-A865 PolarHBondContact O-N 3.38Å; A865-V867 PolarHBondContact O-N 3.38Å |
| 866 | G | 41.6 | Very low | 38.9 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -62.2 | 108.6 | -165 | 0 | 0 | 0 | 0 | 0 | 110.5 | P864 K868 | P864-G866 PolarHBondContact O-N 2.94Å; G866-K868 VanDerWaalsContact C-N 3.29Å; G866-K868 PolarHBondContact O-N 3.44Å | ||
| 867 | V | 36.3 | Very low | 39.3 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 93.3 | 167.3 | -85.8 | 0 | 0 | 0 | 0 | 108.3 | A865 | A865-V867 PolarHBondContact O-N 3.38Š| ||
| 868 | K | 36.8 | Very low | 39.7 | Very low | 200 Ų | 200 | 121.4 Ų | 121.4 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | -137.1 | 100.9 | -179.8 | -170.9 | -176.9 | 179.4 | -175.4 | 0 | 111.7 | G866 | G866-K868 VanDerWaalsContact C-N 3.29Å; G866-K868 PolarHBondContact O-N 3.44Å | ||
| 869 | G | 42.8 | Very low | 39.8 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | 86.7 | 84.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 870 | E | 31.9 | Very low | 39.5 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -110.2 | 125.8 | 146.2 | -72.2 | -172.8 | 149.7 | 0 | 0 | 109 | ||||
| 871 | L | 37.3 | Very low | 39.5 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 98% | 0.979 | 76% | 0.76 | S | S | * | * | trans | -166.4 | 123.4 | 140.6 | -135.8 | 91 | 0 | 0 | 0 | 110 | ||||
| 872 | G | 45.7 | Very low | 39.1 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 140.2 | 89.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 873 | P | 44.9 | Very low | 38.6 | Very low | 77 Ų | 77 | 120 Ų | 120 | 50% | 0.5 | 76% | 0.76 | S | S | . | * | trans | -90.8 | 175.4 | 165.7 | 42.2 | -36.4 | 0 | 0 | 0 | 110.3 | V877 | P873-V877 HydrophobicContact CB-CB 4.06Å; P873-V877 HydrophobicContact CB-CG1 3.62Å | ||
| 874 | D | 37.3 | Very low | 38.6 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | -135 | 170.1 | 21 | -57.3 | -67.6 | 0 | 0 | 0 | 111 | ||||
| 875 | G | 33.1 | Very low | 38 | Very low | 63 Ų | 63 | 126.7 Ų | 126.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -159.3 | 167.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V877 | G875-V877 VanDerWaalsContact CA-N 3.27Š|
| 876 | E | 36.7 | Very low | 37.6 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 100% | 1.005 | 78% | 0.783 | S | S | * | * | S | Bend | cis | -77.2 | 70.7 | 0.6 | -59.1 | 179.7 | 139.1 | 0 | 0 | 111.3 | ||
| 877 | V | 43.8 | Very low | 37.3 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 44% | 0.442 | 78% | 0.775 | S | S | . | * | trans | -101.7 | 137.4 | -161 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | P873 G875 P879 | P873-V877 HydrophobicContact CB-CB 4.06Å; P873-V877 HydrophobicContact CB-CG1 3.62Å; G875-V877 VanDerWaalsContact CA-N 3.27Å; V877-P879 VanDerWaalsContact O-CD 3.31Å; V877-P879 WeakPolarHBondContact O-CD 3.05Å | ||
| 878 | G | 47.4 | Very low | 37.2 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -66.3 | 131.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 879 | P | 38.9 | Very low | 37.4 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 135.3 | 162.1 | 4.2 | 18.5 | 0 | 0 | 0 | 110.9 | V877 | V877-P879 VanDerWaalsContact O-CD 3.31Å; V877-P879 WeakPolarHBondContact O-CD 3.05Å | ||
| 880 | I | 36.5 | Very low | 37 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -63.4 | 143.9 | -175.2 | -74.5 | 165.4 | 0 | 0 | 0 | 113.6 | ||||
| 881 | G | 37.4 | Very low | 37.1 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -153.3 | 101.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 882 | D | 30.4 | Very low | 37.2 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -75.2 | 162.2 | -167.7 | -85.7 | -55.6 | 0 | 0 | 0 | 117 | ||||
| 883 | K | 32.4 | Very low | 37 | Very low | 211 Ų | 211 | 125.2 Ų | 125.2 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | 100.6 | 101.6 | 141 | -136.2 | 171.8 | -165.1 | 173.2 | 0 | 117.9 | ||||
| 884 | G | 38.6 | Very low | 36.7 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -165.5 | 24.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q886 | G884-Q886 PolarHBondContact O-N 3.43Å; G884-Q886 VanDerWaalsContact O-N 3.16Å | ||
| 885 | Y | 28.6 | Very low | 36.9 | Very low | 247 Ų | 247 | 128.9 Ų | 128.9 | 97% | 0.969 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 106.6 | 172.1 | -86.6 | -81.4 | 0 | 0 | 0 | 110.6 | ||||
| 886 | Q | 32.1 | Very low | 37.3 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -151.3 | 112.7 | 152.6 | -168 | 167.5 | -14.3 | 0 | 0 | 111.7 | G884 | G884-Q886 PolarHBondContact O-N 3.43Å; G884-Q886 VanDerWaalsContact O-N 3.16Å | ||
| 887 | G | 34.4 | Very low | 37.4 | Very low | 54 Ų | 54 | 125 Ų | 125 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | trans | 104.6 | 89.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S889 | G887-S889 PolarHBondContact O-N 2.81Å; G887-S889 PolarHBondContact O-OG 3.02Å | ||
| 888 | D | 34 | Very low | 37.4 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -68.2 | 85 | 136.6 | -73.9 | -36.4 | 0 | 0 | 0 | 105.4 | ||||
| 889 | S | 40.7 | Very low | 36.9 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | 67.9 | 84.1 | 78.4 | -66.7 | 0 | 0 | 0 | 0 | 110 | G887 | G887-S889 PolarHBondContact O-N 2.81Å; G887-S889 PolarHBondContact O-OG 3.02Å | |||
| 890 | G | 34.6 | Very low | 36.9 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 149.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I892 | G890-I892 PolarHBondContact O-N 3.22Š|
| 891 | I | 34.3 | Very low | 37.3 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124 | 176 | -53.8 | 174.9 | 0 | 0 | 0 | 108.1 | G893 | I891-G893 PolarHBondContact O-N 2.76Š|
| 892 | I | 38.4 | Very low | 37.3 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.8 | -169.7 | -67.1 | 163.3 | 0 | 0 | 0 | 110.7 | G890 | G890-I892 PolarHBondContact O-N 3.22Š|
| 893 | G | 42.2 | Very low | 37.5 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 150.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I891 I895 | I891-G893 PolarHBondContact O-N 2.76Å; G893-I895 PolarHBondContact O-N 3.43Å |
| 894 | P | 39 | Very low | 38 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.3 | -170 | 27 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 895 | I | 41.2 | Very low | 38.4 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.5 | 157.5 | -57.1 | 161.9 | 0 | 0 | 0 | 107 | G893 | G893-I895 PolarHBondContact O-N 3.43Š|
| 896 | G | 41.9 | Very low | 39 | Very low | 59 Ų | 59 | 119.2 Ų | 119.2 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | cis | -168.4 | -167.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 897 | P | 37.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 113 Ų | 113 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | -141.8 | 164.7 | 87.4 | 37.2 | -22.6 | 0 | 0 | 0 | 115.3 | |||||
| 898 | T | 44 | Very low | 40.4 | Very low | 151 Ų | 151 | 112.3 Ų | 112.3 | 93% | 0.926 | 73% | 0.729 | S | S | * | * | trans | -86.7 | 142 | -172.4 | -53.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 899 | G | 37.9 | Very low | 41.1 | Very low | 64 Ų | 64 | 110.6 Ų | 110.6 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | 148.7 | 150.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 900 | P | 39.1 | Very low | 41.4 | Very low | 138 Ų | 138 | 111 Ų | 111 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | cis | -122.5 | 172.2 | -15.3 | 38 | -22.6 | 0 | 0 | 0 | 113.9 | ||||
| 901 | M | 45.2 | Very low | 41.7 | Very low | 193 Ų | 193 | 111.1 Ų | 111.1 | 95% | 0.951 | 74% | 0.738 | S | S | * | * | trans | -94.5 | 144.5 | 179.2 | 172.8 | -176.7 | 67 | 0 | 0 | 112 | ||||
| 902 | G | 35.9 | Very low | 41.9 | Very low | 74 Ų | 74 | 109.5 Ų | 109.5 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | 169.5 | 136 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 903 | A | 34.9 | Very low | 41.8 | Very low | 111 Ų | 111 | 112.4 Ų | 112.4 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | cis | -144.3 | 169 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 904 | R | 44.4 | Very low | 41.5 | Very low | 215 Ų | 215 | 113 Ų | 113 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -107.9 | 141.3 | -167.5 | 171 | -176.7 | 176.7 | -165.2 | 0 | 113.5 | ||||
| 905 | G | 45.1 | Very low | 41.5 | Very low | 50 Ų | 50 | 115.1 Ų | 115.1 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | trans | 100.7 | -162.1 | 135 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 906 | P | 41.8 | Very low | 41.2 | Very low | 30 Ų | 30 | 113.9 Ų | 113.9 | 20% | 0.195 | 75% | 0.753 | C | S | . | * | cis | -111.9 | -158.1 | -0.3 | 21.9 | -2.5 | 0 | 0 | 0 | 114.5 | L993 P994 G995 Q996 | P906-L993 CarbonylContact O-C 2.97Å; P906-L993 WeakPolarHBondContact O-CA 3.4Å; P906-L993 WeakPolarHBondContact O-CB 3.07Å; P906-L993 WeakPolarHBondContact O-CD2 3.27Å; P906-P994 WeakPolarHBondContact O-CA 3.36Å; P906-P994 VanDerWaalsContact O-N 3.09Å; P906-G995 VanDerWaalsContact C-N 3.28Å; P906-G995 VanDerWaalsContact CB-N 3.28Å; P906-G995 VanDerWaalsContact CG-N 3.28Å; P906-Q996 HydrophobicContact CB-CB 3.8Å; P906-Q996 HydrophobicContact CB-CG 3.75Å; P906-Q996 VanDerWaalsContact CB-N 3.33Å; P906-Q996 HydrophobicContact CG-CB 3.77Å; P906-Q996 HydrophobicContact CG-CG 4.21Å; P906-Q996 VanDerWaalsContact CG-N 3.28Å | ||
| 907 | P | 56.3 | Low | 41 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 44% | 0.435 | 76% | 0.756 | S | S | . | * | trans | -109.5 | 149.2 | -170.8 | 4.4 | 18.5 | 0 | 0 | 0 | 120.6 | L993 P994 G995 | P907-L993 HydrophobicContact CB-CD2 3.71Å; P907-L993 HydrophobicContact CG-CD2 4.41Å; P907-P994 VanDerWaalsContact C-N 3.26Å; P907-P994 CarbonylContact O-C 3.56Å; P907-G995 VanDerWaalsContact CD-O 3.28Å; P907-G995 WeakPolarHBondContact CD-O 3.39Å; P907-G995 PolarHBondContact O-N 2.87Å | ||
| 908 | G | 40.2 | Very low | 41.2 | Very low | 40 Ų | 40 | 115.5 Ų | 115.5 | 41% | 0.412 | 75% | 0.75 | S | S | . | * | trans | -106.9 | 153.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 909 | P | 48.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | trans | -101.5 | 173.3 | -164.1 | 39.4 | -37.2 | 0 | 0 | 0 | 117.6 | ||||
| 910 | A | 46.9 | Very low | 40.7 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -126 | 165.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 911 | G | 41.7 | Very low | 40.9 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 174.1 | 35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 912 | V | 37.7 | Very low | 40.5 | Very low | 144 Ų | 144 | 115.1 Ų | 115.1 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | trans | 22.9 | 132.2 | 152.5 | -66.2 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 913 | K | 36.7 | Very low | 40.3 | Very low | 213 Ų | 213 | 114.7 Ų | 114.7 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | 123.5 | 130.2 | 113.2 | -135.7 | 177.9 | -174.8 | -179 | 0 | 121.9 | |||||
| 914 | G | 36.7 | Very low | 40.4 | Very low | 67 Ų | 67 | 116.9 Ų | 116.9 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | 99.1 | 148.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 915 | L | 37.1 | Very low | 40 | Very low | 176 Ų | 176 | 114.6 Ų | 114.6 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | cis | -156.7 | -176 | -2.9 | -102.9 | 171.6 | 0 | 0 | 0 | 111.3 | ||||
| 916 | T | 36.8 | Very low | 39.5 | Very low | 141 Ų | 141 | 115.3 Ų | 115.3 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -104.2 | 150.5 | -156 | -42.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 917 | G | 37.2 | Very low | 39.4 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 126 | 129.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 918 | E | 40.7 | Very low | 38.4 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | 179.6 | 162.3 | 129.1 | -101 | -177.4 | 172.4 | 0 | 0 | 113.1 | |||||
| 919 | D | 36.6 | Very low | 38.8 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 155.1 | -154.1 | -66.5 | -71.7 | 0 | 0 | 0 | 117.5 | ||||
| 920 | G | 36.3 | Very low | 38.3 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | 111.4 | 160 | 128.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 921 | P | 42.2 | Very low | 38.1 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -131.1 | 176.8 | -4.5 | 41.1 | -24.3 | 0 | 0 | 0 | 116.4 | ||||
| 922 | L | 36.3 | Very low | 38.1 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 170.4 | 176.4 | -54.5 | 91.8 | 0 | 0 | 0 | 112.3 | ||||
| 923 | G | 33.2 | Very low | 38.2 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 163.6 | -179.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 924 | L | 37 | Very low | 38.5 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 175.2 | 109.5 | 160.2 | -95.6 | 168.5 | 0 | 0 | 0 | 106.2 | ||||
| 925 | I | 36.1 | Very low | 38.6 | Very low | 166 Ų | 166 | 121 Ų | 121 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | 55.3 | 124.3 | 73.3 | -60.1 | 165.2 | 0 | 0 | 0 | 111.9 | |||||
| 926 | G | 34.5 | Very low | 38.6 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | -153.5 | -179 | -0.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 927 | S | 37.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | -161.6 | 161.9 | 55 | -57.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 928 | P | 37.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -83.6 | 160.1 | -176.3 | -6.1 | 25.9 | 0 | 0 | 0 | 113.7 | ||||
| 929 | G | 47.2 | Very low | 39.2 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -88.4 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R931 | G929-R931 PolarHBondContact O-N 3.37Š| ||
| 930 | P | 39.2 | Very low | 39.5 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -79 | 103.5 | 159.4 | 32 | -27.9 | 0 | 0 | 0 | 107.9 | ||||
| 931 | R | 41.3 | Very low | 40 | Very low | 203 Ų | 203 | 124 Ų | 124 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | 45.9 | 88.2 | 78.2 | -164.7 | 177.3 | -171.5 | 177.1 | 4.3 | 111.8 | G929 | G929-R931 PolarHBondContact O-N 3.37Š| |||
| 932 | G | 43.3 | Very low | 40.1 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | P934 | G932-P934 VanDerWaalsContact O-CD 3.25Å; G932-P934 WeakPolarHBondContact O-CD 3.37Å |
| 933 | P | 39.8 | Very low | 40.1 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67 | 121.6 | -177.8 | 24.9 | -32.5 | 0 | 0 | 0 | 110.4 | ||
| 934 | P | 41.5 | Very low | 40.6 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148.3 | 166.8 | -18.2 | 33 | 0 | 0 | 0 | 109.9 | G932 | G932-P934 VanDerWaalsContact O-CD 3.25Å; G932-P934 WeakPolarHBondContact O-CD 3.37Å |
| 935 | G | 38.9 | Very low | 40.8 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 936 | R | 37.1 | Very low | 41.4 | Very low | 249 Ų | 249 | 118.7 Ų | 118.7 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 137.9 | 159.6 | -84.2 | -169.8 | 170.2 | -155.8 | -2.4 | 109.7 | ||
| 937 | L | 37.3 | Very low | 41.3 | Very low | 177 Ų | 177 | 118.4 Ų | 118.4 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.3 | 173.6 | -62.9 | 107.3 | 0 | 0 | 0 | 110.8 | ||
| 938 | G | 48.6 | Very low | 41.1 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I940 | G938-I940 PolarHBondContact O-N 3.09Š|
| 939 | P | 41 | Very low | 41.3 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.8 | 160.5 | 30.8 | -30.3 | 0 | 0 | 0 | 109.7 | G941 | P939-G941 PolarHBondContact O-N 3.25Š|
| 940 | I | 43.6 | Very low | 40.6 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 5.6 | 112.4 | 140 | -60.9 | 158.7 | 0 | 0 | 0 | 113.6 | G938 | G938-I940 PolarHBondContact O-N 3.09Š| ||
| 941 | G | 46.8 | Very low | 40.2 | Very low | 54 Ų | 54 | 125.3 Ų | 125.3 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | trans | -76 | 168.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | P939 L943 | P939-G941 PolarHBondContact O-N 3.25Å; G941-L943 PolarHBondContact O-N 2.86Å; G941-L943 VanDerWaalsContact O-N 3.13Å | ||
| 942 | P | 43.4 | Very low | 40 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -64.7 | 109.6 | 148.2 | 29.5 | -28 | 0 | 0 | 0 | 107.4 | ||||
| 943 | L | 37 | Very low | 39.6 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -46.5 | 152.3 | 153.8 | -172.6 | 67.3 | 0 | 0 | 0 | 109.1 | G941 | G941-L943 PolarHBondContact O-N 2.86Å; G941-L943 VanDerWaalsContact O-N 3.13Å | ||
| 944 | G | 42.9 | Very low | 39.4 | Very low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | trans | -67.1 | -146.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 945 | P | 43.2 | Very low | 39.3 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -128.9 | -127.8 | 8.6 | 35.8 | -12.3 | 0 | 0 | 0 | 107.6 | ||||
| 946 | P | 47.7 | Very low | 39.1 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -98.2 | 163.1 | -50.5 | 14.3 | 8.5 | 0 | 0 | 0 | 109.8 | |||||
| 947 | G | 32.4 | Very low | 38.8 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | cis | 110.6 | 138.5 | 43.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 948 | F | 33.5 | Very low | 38.7 | Very low | 186 Ų | 186 | 118.8 Ų | 118.8 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | 78.5 | 136.5 | 160.3 | -49.2 | -67.9 | 0 | 0 | 0 | 116.5 | ||||
| 949 | D | 41.4 | Very low | 38.2 | Very low | 145 Ų | 145 | 119 Ų | 119 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | cis | -137.2 | 164.3 | -4.1 | -80.3 | -48 | 0 | 0 | 0 | 109 | ||||
| 950 | G | 32.1 | Very low | 38 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | 62.5 | 129.4 | 84.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 951 | E | 32.2 | Very low | 38.1 | Very low | 186 Ų | 186 | 117 Ų | 117 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | cis | -145.7 | 177.5 | 6.3 | -56.9 | 175.3 | 136 | 0 | 0 | 105.7 | ||||
| 952 | K | 36.9 | Very low | 37.7 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | cis | -174.4 | 131.8 | 38.2 | -175.5 | 164.7 | -178.1 | 159.9 | 0 | 109.3 | D954 | K952-D954 VanDerWaalsContact CE-OD1 3.22Å; K952-D954 WeakPolarHBondContact CE-OD1 3.34Å; K952-D954 WeakPolarHBondContact CE-OD2 3.27Å; K952-D954 WeakPolarHBondContact CG-OD1 3.33Å; K952-D954 IonicContact NZ-OD2 3.28Å; K952-D954 PolarHBondContact NZ-OD2 2.86Å | ||
| 953 | G | 34.9 | Very low | 37.5 | Very low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -134.9 | 59.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K955 | G953-K955 PolarHBondContact O-N 3.35Å; G953-K955 VanDerWaalsContact O-N 3.1Å | ||
| 954 | D | 35.1 | Very low | 37.5 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | trans | -67.3 | 106 | -176.8 | -75 | 8.9 | 0 | 0 | 0 | 111.8 | K952 | K952-D954 VanDerWaalsContact CE-OD1 3.22Å; K952-D954 WeakPolarHBondContact CE-OD1 3.34Å; K952-D954 WeakPolarHBondContact CE-OD2 3.27Å; K952-D954 WeakPolarHBondContact CG-OD1 3.33Å; K952-D954 IonicContact NZ-OD2 3.28Å; K952-D954 PolarHBondContact NZ-OD2 2.86Å | ||
| 955 | K | 38.3 | Very low | 37.5 | Very low | 209 Ų | 209 | 119.8 Ų | 119.8 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 157.2 | 124.1 | 131.2 | -87.6 | 169.7 | -179.2 | -177.3 | 0 | 109.9 | G953 | G953-K955 PolarHBondContact O-N 3.35Å; G953-K955 VanDerWaalsContact O-N 3.1Å | ||
| 956 | G | 36.5 | Very low | 37.2 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -171 | 134.7 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 957 | A | 29.9 | Very low | 36.8 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 133.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 958 | S | 34.7 | Very low | 37 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.9 | 157.9 | -57.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 959 | G | 37.9 | Very low | 37.2 | Very low | 68 Ų | 68 | 119.5 Ų | 119.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 167.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 960 | P | 37.5 | Very low | 37 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -146.3 | 158.4 | 84.7 | 38.9 | -24.5 | 0 | 0 | 0 | 115.9 | |||||
| 961 | P | 45 | Very low | 37.1 | Very low | 132 Ų | 132 | 120 Ų | 120 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 140.6 | 150.5 | 28.3 | -19.2 | 0 | 0 | 0 | 109.9 | ||||
| 962 | G | 38.7 | Very low | 37.1 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | 137.3 | 115.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 963 | P | 40.3 | Very low | 37 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -127 | 137 | 159.3 | 35.5 | -22.6 | 0 | 0 | 0 | 114.7 | ||||
| 964 | K | 37.3 | Very low | 37.1 | Very low | 209 Ų | 209 | 123 Ų | 123 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -32.7 | 127.5 | 153.5 | -174 | 179.6 | -178.1 | -177.8 | 0 | 112.1 | ||||
| 965 | G | 41.4 | Very low | 37.3 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | 79.6 | 137.5 | 81.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 966 | D | 36.6 | Very low | 37.1 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | cis | -173 | 155.3 | 14.7 | -147.4 | 4.4 | 0 | 0 | 0 | 112.6 | ||||
| 967 | K | 39.6 | Very low | 37 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 65.9 | 130 | 149.8 | -72.6 | 175.8 | 178.6 | 90.7 | 0 | 127 | ||||
| 968 | G | 37.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 124 Ų | 124 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | 117.6 | 135.7 | 128.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 969 | G | 37.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | cis | 160.8 | 130.3 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 970 | V | 36.9 | Very low | 37.7 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | 65.8 | 136.1 | 159.9 | -163.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 971 | G | 34 | Very low | 38.1 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | -161.9 | -141.7 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 972 | I | 31.9 | Very low | 37.9 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | cis | -162.9 | 149.9 | -3.2 | -29.1 | 167.2 | 0 | 0 | 0 | 109.8 | ||||
| 973 | R | 35 | Very low | 37.8 | Very low | 252 Ų | 252 | 125.1 Ų | 125.1 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | 73.1 | 139.4 | 157.8 | -143.8 | 174.1 | -168 | 177.8 | 2.4 | 118.2 | ||||
| 974 | G | 36.9 | Very low | 37.9 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | cis | -163 | -177.6 | 2.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 975 | P | 40.2 | Very low | 38.3 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -129.1 | 161.7 | -139.5 | 42.7 | -30.7 | 0 | 0 | 0 | 120.2 | ||||
| 976 | F | 34.3 | Very low | 38.1 | Very low | 216 Ų | 216 | 123.9 Ų | 123.9 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | 55.1 | 151.4 | 164.9 | -69.1 | -71.9 | 0 | 0 | 0 | 118.8 | ||||
| 977 | G | 33.3 | Very low | 38.2 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | cis | -155.6 | -142.8 | 23.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 978 | P | 36.6 | Very low | 38 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 155.1 | -143 | 36 | -38.5 | 0 | 0 | 0 | 116.7 | ||
| 979 | V | 39.4 | Very low | 38 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 116.7 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 980 | G | 41.5 | Very low | 38.5 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 143.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 981 | S | 47.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 143.2 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 982 | P | 39.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -115.1 | 155.9 | 138.2 | -5.5 | 26.3 | 0 | 0 | 0 | 112.4 | ||||
| 983 | G | 38.2 | Very low | 39.3 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -98.7 | 153.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 984 | L | 41 | Very low | 39.4 | Very low | 172 Ų | 172 | 116.4 Ų | 116.4 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | 23.3 | 156.3 | 123.5 | -63.7 | 171.3 | 0 | 0 | 0 | 120.2 | |||||
| 985 | P | 46.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -139.7 | 171.7 | -22.2 | 36.1 | -17.5 | 0 | 0 | 0 | 115.1 | ||||
| 986 | G | 36.1 | Very low | 39.4 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -167.7 | 101.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 987 | I | 40.3 | Very low | 39.4 | Very low | 171 Ų | 171 | 111.9 Ų | 111.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 154.3 | 159 | 44.9 | 173.1 | 0 | 0 | 0 | 108.9 | ||||
| 988 | Q | 35.2 | Very low | 39.7 | Very low | 190 Ų | 190 | 112.6 Ų | 112.6 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | cis | -163.6 | 163 | 34.5 | 179.7 | 172.9 | 17.3 | 0 | 0 | 107.3 | ||||
| 989 | G | 36.4 | Very low | 39.8 | Very low | 56 Ų | 56 | 115.4 Ų | 115.4 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | cis | -175.4 | -161.1 | 1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 990 | P | 47.7 | Very low | 39.5 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -98.8 | 113.3 | -174.9 | 34.7 | -28.9 | 0 | 0 | 0 | 113.3 | ||||
| 991 | P | 38.7 | Very low | 39.3 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | trans | -142.8 | 159.5 | 131.8 | 26 | -6 | 0 | 0 | 0 | 113.1 | ||||
| 992 | G | 36.1 | Very low | 39.2 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | cis | -165.5 | -157.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 993 | L | 44.6 | Very low | 38.9 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -139.3 | 108.6 | -158.1 | -92.3 | -176.9 | 0 | 0 | 0 | 109.6 | P906 P907 | P906-L993 CarbonylContact O-C 2.97Å; P906-L993 WeakPolarHBondContact O-CA 3.4Å; P906-L993 WeakPolarHBondContact O-CB 3.07Å; P906-L993 WeakPolarHBondContact O-CD2 3.27Å; P907-L993 HydrophobicContact CB-CD2 3.71Å; P907-L993 HydrophobicContact CG-CD2 4.41Å | ||
| 994 | P | 37.1 | Very low | 38.9 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | trans | -158.4 | 126.7 | 137.9 | 34 | -11.4 | 0 | 0 | 0 | 120.1 | P906 P907 | P906-P994 WeakPolarHBondContact O-CA 3.36Å; P906-P994 VanDerWaalsContact O-N 3.09Å; P907-P994 VanDerWaalsContact C-N 3.26Å; P907-P994 CarbonylContact O-C 3.56Å | ||
| 995 | G | 36.6 | Very low | 38.5 | Very low | 48 Ų | 48 | 119.8 Ų | 119.8 | 50% | 0.495 | 76% | 0.761 | S | S | . | * | trans | 172.4 | 89.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | P906 P907 | P906-G995 VanDerWaalsContact C-N 3.28Å; P906-G995 VanDerWaalsContact CB-N 3.28Å; P906-G995 VanDerWaalsContact CG-N 3.28Å; P907-G995 VanDerWaalsContact CD-O 3.28Å; P907-G995 WeakPolarHBondContact CD-O 3.39Å; P907-G995 PolarHBondContact O-N 2.87Å | ||
| 996 | Q | 42.1 | Very low | 38.3 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -110.5 | 170.8 | 163.7 | -102 | 173.7 | -28.4 | 0 | 0 | 106.4 | P906 | P906-Q996 HydrophobicContact CB-CB 3.8Å; P906-Q996 HydrophobicContact CB-CG 3.75Å; P906-Q996 VanDerWaalsContact CB-N 3.33Å; P906-Q996 HydrophobicContact CG-CB 3.77Å; P906-Q996 HydrophobicContact CG-CG 4.21Å; P906-Q996 VanDerWaalsContact CG-N 3.28Å | ||
| 997 | A | 33.8 | Very low | 38.2 | Very low | 99 Ų | 99 | 120.7 Ų | 120.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -156.9 | -176.4 | 22.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 998 | G | 39.2 | Very low | 38.3 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 173.7 | 114.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 999 | E | 38.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 118.8 Ų | 118.8 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -102.9 | -179.9 | -176.3 | -67.1 | -170.9 | 119.9 | 0 | 0 | 113.4 | ||||
| 1000 | E | 34 | Very low | 38.9 | Very low | 203 Ų | 203 | 119 Ų | 119 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | trans | 68.3 | 144.7 | 178.6 | -65.4 | -172.6 | 130.4 | 0 | 0 | 116.9 | ||||
| 1001 | G | 36.1 | Very low | 38.5 | Very low | 66 Ų | 66 | 119 Ų | 119 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | -162.5 | -176.8 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1002 | P | 45.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -103.2 | 173.9 | -154.5 | 39.1 | -38 | 0 | 0 | 0 | 118.4 | ||||
| 1003 | E | 32.7 | Very low | 38.9 | Very low | 183 Ų | 183 | 123.5 Ų | 123.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 95.2 | 149.4 | 146.8 | -133.8 | 176.1 | -156.7 | 0 | 0 | 122 | ||||
| 1004 | G | 39.4 | Very low | 38.8 | Very low | 66 Ų | 66 | 126.2 Ų | 126.2 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 118.7 | 81 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1005 | L | 31.2 | Very low | 39.3 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 76.1 | 152.1 | 70.6 | -68.3 | 173 | 0 | 0 | 0 | 116.7 | |||||
| 1006 | V | 41.9 | Very low | 39.7 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | trans | 83.1 | 135.8 | -179.1 | -169.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1007 | G | 34.9 | Very low | 39.5 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | -178.6 | 170.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1008 | P | 42 | Very low | 40 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -119.4 | -178 | -152.8 | 43.1 | -34.5 | 0 | 0 | 0 | 119.7 | ||||
| 1009 | E | 36.3 | Very low | 40.4 | Very low | 198 Ų | 198 | 125.8 Ų | 125.8 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | 76.8 | 148.2 | 163.7 | -71.7 | -171.3 | 108.4 | 0 | 0 | 121.9 | ||||
| 1010 | G | 47.5 | Very low | 40.4 | Very low | 61 Ų | 61 | 121.4 Ų | 121.4 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 173.9 | 163.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1011 | S | 39.7 | Very low | 41.1 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | 61.5 | 151.6 | 159.7 | 75.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1012 | R | 43.2 | Very low | 41.1 | Very low | 212 Ų | 212 | 118.2 Ų | 118.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | cis | -164.3 | 141.3 | -22.6 | 176.7 | 175.6 | -172 | 159.3 | 4.8 | 108.2 | P1015 | R1012-P1015 HydrophobicContact CG-CB 4.02Å; R1012-P1015 HydrophobicContact CG-CG 3.72Å | ||
| 1013 | G | 39.6 | Very low | 41.1 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -167.3 | -31.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1014 | L | 42.5 | Very low | 41.3 | Very low | 182 Ų | 182 | 119.6 Ų | 119.6 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -136.6 | 93 | 162.4 | -104.4 | 166.8 | 0 | 0 | 0 | 106.1 | ||
| 1015 | P | 47.7 | Very low | 41.2 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 47% | 0.468 | 80% | 0.796 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 144.2 | -156.6 | -0 | 22.5 | 0 | 0 | 0 | 113.1 | R1012 | R1012-P1015 HydrophobicContact CG-CB 4.02Å; R1012-P1015 HydrophobicContact CG-CG 3.72Å |
| 1016 | G | 46 | Very low | 41.3 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 150.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1017 | A | 38.3 | Very low | 41.1 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -59.8 | 152.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1018 | P | 44.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 155.5 | -151.3 | -18.7 | 33.1 | 0 | 0 | 0 | 116.1 | ||
| 1019 | G | 47.9 | Very low | 40.9 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 144.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1020 | A | 36.4 | Very low | 41.3 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -167.6 | 156.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1021 | P | 49.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | cis | -119.8 | 156.3 | -27.8 | 19.7 | 2 | 0 | 0 | 0 | 112.9 | ||||
| 1022 | G | 37.1 | Very low | 40.8 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 167.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1023 | M | 45.7 | Very low | 40.8 | Very low | 192 Ų | 192 | 115 Ų | 115 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | trans | -65.8 | 134.4 | -170.6 | -66.4 | 166 | 62.8 | 0 | 0 | 114.5 | ||||
| 1024 | V | 37.3 | Very low | 40.8 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -105.9 | 141.5 | 156 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1025 | G | 36.4 | Very low | 40.9 | Very low | 58 Ų | 58 | 116.3 Ų | 116.3 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | trans | -128.6 | -163.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1026 | V | 32.6 | Very low | 40.7 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | 68 | 147.8 | 168.7 | -91.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1027 | T | 37.8 | Very low | 40.3 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 76.2 | 128.6 | -178.9 | -17.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1028 | G | 37.4 | Very low | 40 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | cis | 175.4 | 132.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1029 | L | 36.3 | Very low | 39.9 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -60 | 163.9 | 178.8 | -65.5 | 154.3 | 0 | 0 | 0 | 112.3 | ||||
| 1030 | P | 43.6 | Very low | 39.7 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -137.8 | -175.8 | 26.6 | 35.5 | -12.9 | 0 | 0 | 0 | 114.9 | ||||
| 1031 | G | 34.8 | Very low | 39.6 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 144.8 | 95.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1032 | I | 43.1 | Very low | 39.2 | Very low | 177 Ų | 177 | 130 Ų | 130 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -166.3 | 138.5 | 168.2 | 29.6 | 172 | 0 | 0 | 0 | 109.1 | ||||
| 1033 | A | 42.4 | Very low | 39.4 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | cis | -153.4 | 132.1 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1034 | G | 39.4 | Very low | 39.6 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 91.7 | 26.9 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | K1036 | G1034-K1036 PolarHBondContact O-N 2.87Š| ||
| 1035 | E | 45.6 | Very low | 39.6 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -73 | 114.1 | 171.1 | -66.6 | -167.3 | 145.4 | 0 | 0 | 111.5 | ||||
| 1036 | K | 42.2 | Very low | 39.6 | Very low | 205 Ų | 205 | 127.8 Ų | 127.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -103.2 | 135.6 | -175.1 | -178.9 | -175.2 | -179.6 | -177.1 | 0 | 110 | G1034 | G1034-K1036 PolarHBondContact O-N 2.87Š| ||
| 1037 | G | 37.7 | Very low | 40.1 | Very low | 50 Ų | 50 | 132.3 Ų | 132.3 | 52% | 0.515 | 81% | 0.808 | S | S | . | * | cis | 150.3 | 132.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1038 | D | 31.8 | Very low | 40.2 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 65.2 | 152.8 | 173.3 | -44.6 | -43.2 | 0 | 0 | 0 | 115.6 | ||||
| 1039 | Q | 44.1 | Very low | 40 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | cis | -149 | 151.4 | -1.6 | -136.4 | 172.4 | -50.8 | 0 | 0 | 107.2 | ||||
| 1040 | G | 42 | Very low | 40 | Very low | 63 Ų | 63 | 136.7 Ų | 136.7 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | 76.9 | 102.4 | 89.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q1042 | G1040-Q1042 PolarHBondContact O-N 2.87Š| |||
| 1041 | S | 34.6 | Very low | 40.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 110.7 | 169.3 | 37.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1042 | Q | 41.2 | Very low | 40.2 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -120.3 | 113.6 | 175.2 | -166.4 | 177.3 | 22.3 | 0 | 0 | 111 | G1040 | G1040-Q1042 PolarHBondContact O-N 2.87Š| ||
| 1043 | G | 42.3 | Very low | 40.5 | Very low | 54 Ų | 54 | 134.1 Ų | 134.1 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | trans | 60.7 | 117 | 150 | 0 | 0 | 0 | 0 | 0 | 119.8 | I1045 | G1043-I1045 PolarHBondContact O-N 2.68Å; G1043-I1045 VanDerWaalsContact O-N 3.1Å | ||
| 1044 | P | 48.8 | Very low | 40.2 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -73.1 | 100.1 | 160.2 | 31.2 | -31.2 | 0 | 0 | 0 | 109.7 | ||||
| 1045 | I | 38.7 | Very low | 40.3 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -130 | 115.2 | 174.5 | -64.7 | -176.1 | 0 | 0 | 0 | 112 | G1043 | G1043-I1045 PolarHBondContact O-N 2.68Å; G1043-I1045 VanDerWaalsContact O-N 3.1Å | ||
| 1046 | G | 34.8 | Very low | 40.2 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 77.8 | 78.7 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1047 | R | 43.3 | Very low | 40.5 | Very low | 240 Ų | 240 | 129.2 Ų | 129.2 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 14.5 | 122.8 | 146 | -65.9 | -177 | 174.3 | -160.6 | -1.4 | 119.3 | ||||
| 1048 | R | 39.3 | Very low | 40.5 | Very low | 235 Ų | 235 | 130.3 Ų | 130.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -148.8 | 93.1 | 135.8 | -155.6 | 175.9 | -169.3 | 179.9 | 3.1 | 106.6 | ||||
| 1049 | G | 33.9 | Very low | 41 | Very low | 57 Ų | 57 | 128.7 Ų | 128.7 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | 78.8 | 101.9 | 50.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P1051 | G1049-P1051 WeakPolarHBondContact O-CD 3.32Å; G1049-P1051 VanDerWaalsContact O-CG 3.26Å; G1049-P1051 WeakPolarHBondContact O-CG 3.43Å | |||
| 1050 | L | 36.4 | Very low | 41 | Very low | 189 Ų | 189 | 125.3 Ų | 125.3 | 99% | 0.99 | 80% | 0.8 | S | S | * | * | trans | -44.4 | 113.4 | -175.1 | -83.6 | 161.3 | 0 | 0 | 0 | 112.6 | ||||
| 1051 | P | 45 | Very low | 40.8 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -128.8 | 96.1 | 172.7 | 33.7 | -12.6 | 0 | 0 | 0 | 108.7 | G1049 | G1049-P1051 WeakPolarHBondContact O-CD 3.32Å; G1049-P1051 VanDerWaalsContact O-CG 3.26Å; G1049-P1051 WeakPolarHBondContact O-CG 3.43Å | ||
| 1052 | G | 38.5 | Very low | 41 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | cis | 139.2 | 125.7 | 32.9 | 0 | 0 | 0 | 0 | 0 | 104.6 | V1054 | G1052-V1054 PolarHBondContact O-N 3.14Š| ||
| 1053 | T | 48.5 | Very low | 41.1 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -77.3 | 83.5 | -172.9 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1054 | V | 36.6 | Very low | 41.1 | Very low | 145 Ų | 145 | 126 Ų | 126 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -151.7 | 131.6 | 161.9 | -169.3 | 0 | 0 | 0 | 0 | 107.5 | G1052 | G1052-V1054 PolarHBondContact O-N 3.14Š| ||
| 1055 | G | 41 | Very low | 40.8 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | -174.4 | 150.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1056 | V | 43.2 | Very low | 40.9 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -65 | 164.1 | 157.9 | -109.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1057 | P | 49.2 | Very low | 41.2 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | cis | -133.3 | 175.1 | -8.6 | 30.2 | -8.6 | 0 | 0 | 0 | 114.6 | ||||
| 1058 | G | 37.5 | Very low | 40.9 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -168.1 | 106.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1059 | P | 41.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -96.1 | 161.1 | -163.7 | 36.4 | -36.4 | 0 | 0 | 0 | 115.4 | ||||
| 1060 | A | 43.6 | Very low | 41.7 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 61.3 | 123.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1061 | G | 39 | Very low | 42.1 | Very low | 81 Ų | 81 | 110.4 Ų | 110.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -175.5 | 50.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1062 | Q | 38.5 | Very low | 41.5 | Very low | 185 Ų | 185 | 112.7 Ų | 112.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 174.2 | 161.5 | -78.5 | -177 | -4.6 | 0 | 0 | 110.9 | ||||
| 1063 | P | 44 | Very low | 41.4 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -136.1 | 169.7 | -34.1 | 34.2 | -17.5 | 0 | 0 | 0 | 113.5 | ||||
| 1064 | G | 41.2 | Very low | 40.8 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 72.2 | 133.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1065 | S | 43.3 | Very low | 41 | Very low | 118 Ų | 118 | 115.7 Ų | 115.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | -177.2 | 110.4 | 118.2 | 29.4 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1066 | V | 39.7 | Very low | 40.9 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | 77.5 | 110.4 | 62.7 | 175.3 | 0 | 0 | 0 | 0 | 112.9 | V1068 | V1066-V1068 HydrophobicContact CG1-CG2 4.35Š| |||
| 1067 | G | 41 | Very low | 40.3 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | 135 | 155.7 | 122 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1068 | V | 37.9 | Very low | 39.9 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | cis | -147.9 | -127.5 | -23.4 | -156 | 0 | 0 | 0 | 0 | 109.3 | V1066 | V1066-V1068 HydrophobicContact CG1-CG2 4.35Š| ||
| 1069 | P | 43.2 | Very low | 40.1 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -96.7 | 172.1 | -113.9 | 20.3 | 2.7 | 0 | 0 | 0 | 114.2 | |||||
| 1070 | G | 46.7 | Very low | 40.2 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | cis | 111.4 | 131.2 | 32.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1071 | P | 44 | Very low | 40 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -133.2 | 146 | 90.9 | 15 | 7.5 | 0 | 0 | 0 | 112.9 | |||||
| 1072 | V | 34.1 | Very low | 39.9 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | 63.4 | 124.6 | 68.2 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1073 | G | 35.7 | Very low | 39.9 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -151.9 | -164.7 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1074 | Q | 36.6 | Very low | 39.5 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -151 | 166.7 | 12.8 | -66.9 | 176.9 | -36.7 | 0 | 0 | 109.7 | ||||
| 1075 | Q | 40.8 | Very low | 39.3 | Very low | 185 Ų | 185 | 126.7 Ų | 126.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 42.1 | 130.8 | 132.2 | -167.4 | 174.9 | 11 | 0 | 0 | 119.6 | ||||
| 1076 | G | 37.3 | Very low | 39.1 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | cis | 170.9 | -170.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1077 | E | 31.5 | Very low | 39.6 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -51 | 131.5 | -176.5 | -50.1 | 169.9 | 125.2 | 0 | 0 | 114.8 | ||||
| 1078 | R | 41.4 | Very low | 39.9 | Very low | 241 Ų | 241 | 126.6 Ų | 126.6 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -167.9 | 126 | 135.9 | -162.8 | 155.3 | -69.1 | -177.2 | -2.1 | 114 | ||||
| 1079 | G | 41.8 | Very low | 40 | Very low | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 112.1 | 137 | 0 | 0 | 0 | 0 | 0 | 120 | Q1081 | G1079-Q1081 PolarHBondContact O-N 2.86Š| ||
| 1080 | T | 44.2 | Very low | 39.7 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 99% | 0.994 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -70.6 | 83.1 | 147.1 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1081 | Q | 37.6 | Very low | 39.2 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 135.2 | 170.7 | -176.2 | 177.2 | -5.5 | 0 | 0 | 104 | G1079 | G1079-Q1081 PolarHBondContact O-N 2.86Š| ||
| 1082 | G | 37.7 | Very low | 38.8 | Very low | 50 Ų | 50 | 132.3 Ų | 132.3 | 52% | 0.515 | 78% | 0.781 | S | S | . | * | cis | 118.9 | 93.6 | 27.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1083 | E | 37.8 | Very low | 39.2 | Very low | 199 Ų | 199 | 134 Ų | 134 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -95.1 | 105.7 | 153 | -67.8 | -166.6 | 139.5 | 0 | 0 | 103.8 | ||||
| 1084 | D | 36.1 | Very low | 39.4 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | 45.1 | 104 | 50.4 | -62.6 | -21.5 | 0 | 0 | 0 | 110 | |||||
| 1085 | G | 38.2 | Very low | 39.2 | Very low | 58 Ų | 58 | 130.8 Ų | 130.8 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | cis | 150.2 | 153.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P1087 | G1085-P1087 WeakPolarHBondContact O-CD 3.25Š| ||
| 1086 | P | 37.9 | Very low | 39.4 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -62.9 | 129.2 | 165 | 27.1 | -31.7 | 0 | 0 | 0 | 108.5 | G1088 | P1086-G1088 PolarHBondContact O-N 2.82Š|
| 1087 | P | 49.4 | Very low | 39.5 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -59.3 | 126.9 | -175 | -27.3 | 34.7 | 0 | 0 | 0 | 114 | G1085 | G1085-P1087 WeakPolarHBondContact O-CD 3.25Š| ||
| 1088 | G | 48.1 | Very low | 39.6 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -103.6 | 176 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P1086 | P1086-G1088 PolarHBondContact O-N 2.82Š| ||
| 1089 | P | 40.8 | Very low | 39.5 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | cis | -110.6 | -173.4 | -4.7 | 42.4 | -30.1 | 0 | 0 | 0 | 110.7 | ||||
| 1090 | R | 36.8 | Very low | 39.4 | Very low | 232 Ų | 232 | 118.7 Ų | 118.7 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | -174.6 | 126.1 | 76.5 | -172.9 | 172.9 | -178.9 | 165.6 | -0.1 | 105.9 | |||||
| 1091 | G | 34.7 | Very low | 39.3 | Very low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | 76.7 | 119.1 | 73.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1092 | V | 35.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | cis | -151.2 | 175.9 | 38 | -73.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1093 | E | 43.5 | Very low | 39.2 | Very low | 186 Ų | 186 | 118.7 Ų | 118.7 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | cis | -152.4 | 166.1 | 12 | -141 | 167.6 | 136.6 | 0 | 0 | 107 | ||||
| 1094 | G | 40.5 | Very low | 39.4 | Very low | 65 Ų | 65 | 115.5 Ų | 115.5 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | 128 | 61.3 | 73.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1095 | S | 31 | Very low | 39.9 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -52.1 | -178 | 156.3 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1096 | P | 45 | Very low | 39.7 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | cis | -139.4 | -169.1 | -29.9 | 31.1 | -8.6 | 0 | 0 | 0 | 113.5 | V1098 | P1096-V1098 HydrophobicContact CB-CG2 4.25Š| ||
| 1097 | G | 40.1 | Very low | 40 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | 160 | 80.9 | 162 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1098 | V | 33.4 | Very low | 39.6 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 49% | 0.485 | 77% | 0.769 | S | S | . | * | 80.8 | 103.5 | 61.8 | -177.5 | 0 | 0 | 0 | 0 | 114 | P1096 | P1096-V1098 HydrophobicContact CB-CG2 4.25Š| |||
| 1099 | Q | 38.6 | Very low | 39.8 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 61 | 142.9 | 141.9 | -158.9 | 169.7 | 1.6 | 0 | 0 | 119.2 | ||||
| 1100 | G | 40.2 | Very low | 40.1 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | -175.1 | -139.9 | 2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1101 | P | 41.6 | Very low | 40.1 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | -124.6 | 177.3 | -61.4 | 40.7 | -29.6 | 0 | 0 | 0 | 113.2 | |||||
| 1102 | L | 37.3 | Very low | 40.4 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | trans | 67 | 138.8 | 155.3 | -155.2 | 73.5 | 0 | 0 | 0 | 120.1 | ||||
| 1103 | G | 36.4 | Very low | 40.2 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | 115 | 117.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1104 | P | 43.2 | Very low | 40 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -90.3 | 136 | -169.8 | 33.3 | -34.3 | 0 | 0 | 0 | 116.1 | ||||
| 1105 | K | 44.7 | Very low | 39.9 | Very low | 203 Ų | 203 | 123.1 Ų | 123.1 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 55.5 | 110 | 152.4 | -159.9 | 179.9 | -175.7 | -175.8 | 0 | 120.2 | ||||
| 1106 | G | 35 | Very low | 40.3 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -172.7 | 125.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1107 | Q | 43.1 | Very low | 40.3 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 171.2 | 176.9 | -86 | 163.8 | -62.2 | 0 | 0 | 111.6 | ||||
| 1108 | E | 41.9 | Very low | 40.3 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | cis | -175.1 | 163.6 | 4.3 | 145.8 | 178.1 | -150.6 | 0 | 0 | 110.7 | ||||
| 1109 | G | 53.1 | Low | 40.3 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 76.8 | 164.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1110 | P | 45.5 | Very low | 40.2 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | cis | -119 | -151.3 | 28.5 | 41.4 | -25.6 | 0 | 0 | 0 | 111.1 | ||||
| 1111 | R | 38.3 | Very low | 39.9 | Very low | 229 Ų | 229 | 128.3 Ų | 128.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | cis | -154.7 | 156.6 | 0.8 | -175 | 175 | -179.8 | -178.8 | 0.3 | 106.2 | ||||
| 1112 | G | 40.1 | Very low | 39.4 | Very low | 55 Ų | 55 | 129.2 Ų | 129.2 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | cis | 153.1 | 134.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1113 | P | 32.4 | Very low | 39.8 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | S | Bend | -104 | 127.7 | 88.8 | 30.6 | -35.2 | 0 | 0 | 0 | 110.3 | |||
| 1114 | Q | 38.8 | Very low | 40.5 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | 56.5 | 105.3 | 72.3 | -170.3 | 178.3 | 3.1 | 0 | 0 | 110.9 | |||||
| 1115 | G | 39.2 | Very low | 40.6 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | cis | 136.2 | 130.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1116 | V | 39.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -157.2 | 154.1 | 170.2 | -98.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1117 | P | 44.1 | Very low | 40.6 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -132.2 | 176.4 | -133.2 | 30.8 | -9.1 | 0 | 0 | 0 | 117.1 | ||||
| 1118 | G | 39 | Very low | 40.4 | Very low | 61 Ų | 61 | 120.6 Ų | 120.6 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | 87.3 | 119.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1119 | D | 34.6 | Very low | 40.7 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | 75.8 | 135.3 | 65.7 | -69.2 | -31.8 | 0 | 0 | 0 | 112.3 | |||||
| 1120 | I | 36.6 | Very low | 39.8 | Very low | 156 Ų | 156 | 116.6 Ų | 116.6 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | cis | -155.7 | 152.3 | 14.9 | -120.9 | 156.2 | 0 | 0 | 0 | 111.3 | ||||
| 1121 | G | 34.3 | Very low | 39.1 | Very low | 65 Ų | 65 | 116 Ų | 116 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | 51.9 | 115.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1122 | T | 29.7 | Very low | 38.9 | Very low | 144 Ų | 144 | 109 Ų | 109 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | trans | -106.8 | 115.3 | 145.5 | 40.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1123 | P | 47.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -73.9 | 153.4 | 166.2 | -15.3 | 30.8 | 0 | 0 | 0 | 112.1 | ||||
| 1124 | G | 50.2 | Low | 38.7 | Very low | 67 Ų | 67 | 110 Ų | 110 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -88 | 179.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1125 | P | 46.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | cis | -136.5 | -161.1 | 16.6 | 42.6 | -23.6 | 0 | 0 | 0 | 114.1 | ||||
| 1126 | D | 32.8 | Very low | 38.1 | Very low | 158 Ų | 158 | 107.5 Ų | 107.5 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | 62.8 | 123.2 | 161.2 | -59.5 | -17.1 | 0 | 0 | 0 | 119.6 | ||||
| 1127 | G | 46.7 | Very low | 38 | Very low | 67 Ų | 67 | 104 Ų | 104 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | trans | -104.2 | 149.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1129 | G1127-K1129 PolarHBondContact O-N 2.84Å; G1127-K1129 VanDerWaalsContact O-N 3.08Å | ||
| 1128 | P | 39.2 | Very low | 37.9 | Very low | 126 Ų | 126 | 102 Ų | 102 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -75.1 | 92.6 | 159.3 | 32 | -31.5 | 0 | 0 | 0 | 110.1 | G1130 | P1128-G1130 PolarHBondContact O-N 2.94Š| ||
| 1129 | K | 46.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 102.1 Ų | 102.1 | 49% | 0.491 | 66% | 0.664 | S | S | . | * | trans | -29.9 | 90.6 | 140.6 | -172.8 | -176.1 | -155.9 | -98.2 | 0 | 112.8 | P613 G614 D615 G1127 | P613-K1129 HydrophobicContact CB-CG 4.2Å; P613-K1129 VanDerWaalsContact CD-O 3.28Å; P613-K1129 WeakPolarHBondContact CD-O 2.91Å; P613-K1129 HydrophobicContact CG-CB 4.3Å; P613-K1129 HydrophobicContact CG-CG 3.7Å; P613-K1129 WeakPolarHBondContact O-CE 3.48Å; P613-K1129 WeakPolarHBondContact O-CG 3.45Å; P613-K1129 PolarHBondContact O-NZ 2.89Å; G614-K1129 VanDerWaalsContact C-NZ 3.32Å; G614-K1129 WeakPolarHBondContact O-CE 3.4Å; G614-K1129 PolarHBondContact O-NZ 2.91Å; D615-K1129 VanDerWaalsContact OD2-CE 3.25Å; D615-K1129 WeakPolarHBondContact OD2-CE 3.44Å; G1127-K1129 PolarHBondContact O-N 2.84Å; G1127-K1129 VanDerWaalsContact O-N 3.08Å | ||
| 1130 | G | 34.3 | Very low | 38 | Very low | 46 Ų | 46 | 100.7 Ų | 100.7 | 47% | 0.474 | 66% | 0.663 | S | S | . | * | trans | 148.3 | 133.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P613 P1128 | P613-G1130 VanDerWaalsContact CG-N 3.34Å; P1128-G1130 PolarHBondContact O-N 2.94Å | ||
| 1131 | E | 31.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | cis | -154.8 | 159.5 | 8.8 | -98.7 | -165.1 | 118.8 | 0 | 0 | 112.3 | G611 | G611-E1131 WeakPolarHBondContact CA-OE1 2.99Š| ||
| 1132 | L | 34.1 | Very low | 39.3 | Very low | 82 Ų | 82 | 102.3 Ų | 102.3 | 43% | 0.429 | 67% | 0.667 | S | S | . | * | trans | 61 | 97 | 148.5 | -66 | 155.9 | 0 | 0 | 0 | 120.5 | V610 V612 | V610-L1132 HydrophobicContact CG1-CD1 3.84Å; V610-L1132 HydrophobicContact CG1-CD2 4.4Å; V610-L1132 HydrophobicContact CG2-CD1 4.28Å; V610-L1132 HydrophobicContact CG2-CD2 4.32Å; V612-L1132 HydrophobicContact CG2-CD2 4.42Å; V612-L1132 HydrophobicContact CG2-CG 4.24Å; V612-L1132 VanDerWaalsContact CG2-N 3.29Å | ||
| 1133 | G | 35.4 | Very low | 39.8 | Very low | 57 Ų | 57 | 101.2 Ų | 101.2 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | trans | 81.2 | 162.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1134 | P | 32.8 | Very low | 39.4 | Very low | 143 Ų | 143 | 102 Ų | 102 | 93% | 0.929 | 67% | 0.665 | S | S | * | * | S | Bend | cis | -82.5 | 98.1 | 34.3 | 29.9 | -37.1 | 0 | 0 | 0 | 114.9 | ||
| 1135 | L | 34.2 | Very low | 38.8 | Very low | 162 Ų | 162 | 101.7 Ų | 101.7 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | trans | -156.7 | 142.3 | 163 | -149.9 | 122 | 0 | 0 | 0 | 108 | ||||
| 1136 | G | 32 | Very low | 38.4 | Very low | 28 Ų | 28 | 102.3 Ų | 102.3 | 29% | 0.289 | 67% | 0.666 | S | S | . | * | cis | -107.9 | -140.3 | -14.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1138 Q1294 | G1136-P1138 VanDerWaalsContact C-CD 3.43Å; G1136-Q1294 PolarHBondContact O-NE2 3.36Å | ||
| 1137 | I | 37.8 | Very low | 38.6 | Very low | 72 Ų | 72 | 100.9 Ų | 100.9 | 37% | 0.369 | 67% | 0.665 | S | S | . | * | trans | -121.2 | 83.6 | 153.7 | -39.9 | 103.2 | 0 | 0 | 0 | 109.3 | Q1294 G1295 V1296 | I1137-Q1294 HydrophobicContact CB-CG 4.45Å; I1137-Q1294 HydrophobicContact CG1-CG 3.83Å; I1137-Q1294 HydrophobicContact CG2-CG 4.1Å; I1137-G1295 WeakPolarHBondContact CG1-O 3.01Å; I1137-G1295 VanDerWaalsContact CG2-O 3.23Å; I1137-G1295 WeakPolarHBondContact CG2-O 3.3Å; I1137-V1296 HydrophobicContact CB-CG1 4.16Å; I1137-V1296 HydrophobicContact CG2-CB 4.28Å; I1137-V1296 HydrophobicContact CG2-CG1 3.43Å; I1137-V1296 VanDerWaalsContact CG2-CG1 3.43Å | ||
| 1138 | P | 41.5 | Very low | 38.1 | Very low | 82 Ų | 82 | 100.8 Ų | 100.8 | 53% | 0.532 | 66% | 0.664 | S | S | . | * | trans | -117.6 | 118.5 | -174.7 | 24.7 | -2.2 | 0 | 0 | 0 | 110.7 | P609 G1136 | P609-P1138 HydrophobicContact CG-CB 4.48Å; P609-P1138 HydrophobicContact CG-CG 4.15Å; G1136-P1138 VanDerWaalsContact C-CD 3.43Å | ||
| 1139 | G | 35.5 | Very low | 37.9 | Very low | 65 Ų | 65 | 101.1 Ų | 101.1 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | cis | -159.3 | -147.1 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1140 | P | 40.6 | Very low | 37.1 | Very low | 126 Ų | 126 | 105.8 Ų | 105.8 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -83.4 | 157.5 | -159.4 | 33 | -37.6 | 0 | 0 | 0 | 115.9 | ||||
| 1141 | Q | 44.2 | Very low | 36.9 | Very low | 192 Ų | 192 | 107 Ų | 107 | 90% | 0.897 | 70% | 0.699 | S | S | * | * | trans | 77 | 121.1 | 151.5 | -158.4 | 164.7 | 2.9 | 0 | 0 | 118.3 | ||||
| 1142 | G | 53.2 | Low | 37 | Very low | 64 Ų | 64 | 108.4 Ų | 108.4 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -92.8 | -163.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1143 | P | 41.1 | Very low | 37.1 | Very low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -140.6 | 158.1 | 142.1 | 38 | -24.6 | 0 | 0 | 0 | 114.6 | ||||
| 1144 | T | 38.9 | Very low | 37 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | 55.5 | 109.6 | 151.5 | -48.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1145 | G | 37.5 | Very low | 37.3 | Very low | 60 Ų | 60 | 112.9 Ų | 112.9 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 162 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1146 | P | 37.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 112 Ų | 112 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149 | 177.5 | 27.8 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 1147 | P | 37.3 | Very low | 37.6 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.4 | -173.7 | -16.5 | 31.6 | 0 | 0 | 0 | 113 | ||
| 1148 | G | 36.4 | Very low | 37.5 | Very low | 65 Ų | 65 | 118.6 Ų | 118.6 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72 | 162.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1150 | G1148-K1150 PolarHBondContact O-N 2.86Š|
| 1149 | P | 35.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.8 | 165 | 26.3 | -32.5 | 0 | 0 | 0 | 110.9 | ||
| 1150 | K | 29.6 | Very low | 37.5 | Very low | 211 Ų | 211 | 122.4 Ų | 122.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 156 | 165.6 | -69.1 | 170.6 | 172.8 | 175.8 | 0 | 110.7 | G1148 | G1148-K1150 PolarHBondContact O-N 2.86Š|
| 1151 | G | 29.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | -174.1 | 173.1 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1152 | V | 34.2 | Very low | 37.4 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 92% | 0.915 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 126.3 | -169.2 | -159.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1153 | Q | 34.4 | Very low | 36.4 | Very low | 199 Ų | 199 | 119.5 Ų | 119.5 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -158.7 | 126.2 | 144.6 | -171.9 | 175.1 | -0.2 | 0 | 0 | 108 | ||||
| 1154 | G | 34.7 | Very low | 36.2 | Very low | 61 Ų | 61 | 119.8 Ų | 119.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | -161.3 | 166.6 | -7.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1155 | S | 39.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 175.2 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1156 | V | 36.2 | Very low | 36.3 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 89.9 | 128.2 | -178.9 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1157 | G | 36.9 | Very low | 36.4 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | cis | -135.6 | 154.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1158 | E | 34.8 | Very low | 36.5 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | 83.4 | 133.5 | 78.6 | -72.2 | -162.9 | 141.3 | 0 | 0 | 114.6 | |||||
| 1159 | D | 31.9 | Very low | 36.7 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 55.5 | 141.6 | 161.8 | -61 | -15.6 | 0 | 0 | 0 | 122.6 | ||||
| 1160 | G | 44.8 | Very low | 36.6 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -120.6 | 153.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1161 | P | 40.1 | Very low | 37 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -145.5 | -162 | 137.2 | 37.3 | -19.6 | 0 | 0 | 0 | 111.3 | ||||
| 1162 | P | 42.8 | Very low | 37.3 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | -95.7 | 162.4 | -79.6 | 35.3 | -25.5 | 0 | 0 | 0 | 112.4 | |||
| 1163 | G | 31.8 | Very low | 37.3 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1164 | P | 36.8 | Very low | 37.4 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 157.8 | 170.4 | 33.6 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 1165 | Q | 41 | Very low | 37.4 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 136.8 | -174.6 | -172.4 | 175 | 5.7 | 0 | 0 | 114 | ||
| 1166 | G | 38.6 | Very low | 37.2 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1168 | G1166-L1168 PolarHBondContact O-N 2.8Š|
| 1167 | P | 39.5 | Very low | 37.3 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 120.3 | 175.4 | 29 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 1168 | L | 38.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 3.5 | 111.6 | 160.5 | -165.5 | 73 | 0 | 0 | 0 | 116.1 | G1166 K1170 | G1166-L1168 PolarHBondContact O-N 2.8Å; L1168-K1170 PolarHBondContact O-N 2.83Å; L1168-K1170 VanDerWaalsContact O-N 3.17Å | ||
| 1169 | G | 39.5 | Very low | 37.9 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -55.7 | 123 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q1171 | G1169-Q1171 PolarHBondContact O-N 2.87Š| ||
| 1170 | K | 34.9 | Very low | 38.1 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -61.4 | 109.4 | 173.3 | -77 | -171.1 | 178 | -177.8 | 0 | 108.4 | L1168 G1172 | L1168-K1170 PolarHBondContact O-N 2.83Å; L1168-K1170 VanDerWaalsContact O-N 3.17Å; K1170-G1172 PolarHBondContact O-N 2.94Å | ||
| 1171 | Q | 36.6 | Very low | 37.9 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -24 | 117.7 | 176.6 | -148 | 168.5 | 9.4 | 0 | 0 | 112.7 | G1169 L1173 | G1169-Q1171 PolarHBondContact O-N 2.87Å; Q1171-L1173 PolarHBondContact O-N 3.44Å | ||
| 1172 | G | 36.7 | Very low | 38.2 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | -55.2 | 129.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108 | K1170 R1174 | K1170-G1172 PolarHBondContact O-N 2.94Å; G1172-R1174 PolarHBondContact O-N 3.41Å | ||
| 1173 | L | 33.5 | Very low | 38.1 | Very low | 181 Ų | 181 | 125.9 Ų | 125.9 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | trans | -58.4 | 107.5 | 178.7 | -81.7 | 167.3 | 0 | 0 | 0 | 108.3 | Q1171 G1175 | Q1171-L1173 PolarHBondContact O-N 3.44Å; L1173-G1175 PolarHBondContact O-N 2.57Å; L1173-G1175 VanDerWaalsContact O-N 3.15Å | ||
| 1174 | R | 35.6 | Very low | 38.4 | Very low | 206 Ų | 206 | 125.2 Ų | 125.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 119.2 | -179 | 179.2 | 179.3 | -177.4 | 174.6 | 1.2 | 108.3 | G1172 L1176 | G1172-R1174 PolarHBondContact O-N 3.41Å; R1174-L1176 PolarHBondContact O-N 3.49Å |
| 1175 | G | 36.4 | Very low | 38.8 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 119.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L1173 P1177 | L1173-G1175 PolarHBondContact O-N 2.57Å; L1173-G1175 VanDerWaalsContact O-N 3.15Å; G1175-P1177 WeakPolarHBondContact O-CD 3.39Å |
| 1176 | L | 34 | Very low | 38.7 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124.6 | 179.6 | -76.6 | 166.6 | 0 | 0 | 0 | 107.6 | R1174 G1178 | R1174-L1176 PolarHBondContact O-N 3.49Å; L1176-G1178 PolarHBondContact O-N 2.85Å |
| 1177 | P | 37.6 | Very low | 38.8 | Very low | 97 Ų | 97 | 122 Ų | 122 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.7 | 173.5 | -24.6 | 34.3 | 0 | 0 | 0 | 109.3 | G1175 | G1175-P1177 WeakPolarHBondContact O-CD 3.39Š|
| 1178 | G | 41 | Very low | 38.6 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1176 L1180 | L1176-G1178 PolarHBondContact O-N 2.85Å; G1178-L1180 PolarHBondContact O-N 3.4Å |
| 1179 | P | 44 | Very low | 38.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.5 | -176.7 | 23.2 | -32.7 | 0 | 0 | 0 | 109.4 | G1181 | P1179-G1181 PolarHBondContact O-N 2.84Š|
| 1180 | L | 36.2 | Very low | 38.4 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 122.2 | 175.7 | -173.9 | 72 | 0 | 0 | 0 | 108.5 | G1178 | G1178-L1180 PolarHBondContact O-N 3.4Š|
| 1181 | G | 41.8 | Very low | 38.5 | Very low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | P1179 | P1179-G1181 PolarHBondContact O-N 2.84Š|
| 1182 | P | 45.4 | Very low | 38.5 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.1 | -179.4 | 24.2 | -33.2 | 0 | 0 | 0 | 109.6 | G1184 | P1182-G1184 PolarHBondContact O-N 2.98Š|
| 1183 | P | 40.5 | Very low | 38.8 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 131.2 | 174.5 | -25.7 | 34.4 | 0 | 0 | 0 | 110.5 | ||
| 1184 | G | 38.6 | Very low | 38.8 | Very low | 63 Ų | 63 | 123.2 Ų | 123.2 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1182 | P1182-G1184 PolarHBondContact O-N 2.98Š|
| 1185 | P | 44.2 | Very low | 38.6 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.4 | -178.1 | 24.4 | -33.2 | 0 | 0 | 0 | 110.2 | G1187 | P1185-G1187 PolarHBondContact O-N 3.19Š|
| 1186 | P | 40.3 | Very low | 38.9 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134 | 171 | -23.1 | 33.6 | 0 | 0 | 0 | 110.4 | M1188 | P1186-M1188 PolarHBondContact O-N 3.35Š|
| 1187 | G | 39.7 | Very low | 39.1 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63 | 120.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1185 | P1185-G1187 PolarHBondContact O-N 3.19Š|
| 1188 | M | 34.6 | Very low | 39 | Very low | 181 Ų | 181 | 123.5 Ų | 123.5 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -103.6 | 109.3 | 177.3 | -70.2 | -163.1 | 74.6 | 0 | 0 | 111.6 | P1186 | P1186-M1188 PolarHBondContact O-N 3.35Š| ||
| 1189 | T | 35.7 | Very low | 39.3 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -44 | 134.5 | 158.9 | -40.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1190 | G | 40.5 | Very low | 39 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 144.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1191 | P | 37 | Very low | 39 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 134.3 | 169.7 | 34.4 | -29.3 | 0 | 0 | 0 | 112.6 | ||
| 1192 | Q | 34.8 | Very low | 38.6 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142.4 | 168.8 | -174 | 178.4 | 10.6 | 0 | 0 | 111.1 | ||
| 1193 | G | 43.7 | Very low | 38.4 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 164.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1194 | R | 33 | Very low | 38 | Very low | 242 Ų | 242 | 134.1 Ų | 134.1 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -143.4 | 134.8 | 163.2 | -77.9 | -166.3 | 170.1 | -177.1 | -3.7 | 112.9 | ||||
| 1195 | T | 32.3 | Very low | 37.7 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | 19.1 | 124.8 | 145 | -31.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1196 | G | 42.4 | Very low | 37.2 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -90.9 | -177 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1197 | P | 38.5 | Very low | 36.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 144.8 | 178.2 | 34.7 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 1198 | Q | 35.1 | Very low | 36.6 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 134.7 | 178.7 | -165.3 | 172.4 | 17.2 | 0 | 0 | 110.8 | ||
| 1199 | G | 46.4 | Very low | 36.7 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1200 | P | 38 | Very low | 36.7 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 153.2 | 171.5 | 35.1 | -31.7 | 0 | 0 | 0 | 113 | ||
| 1201 | K | 36.3 | Very low | 36.3 | Very low | 216 Ų | 216 | 137.3 Ų | 137.3 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 141.6 | -173.6 | 172.1 | -170.9 | -178.4 | -176.7 | 0 | 110.5 | ||
| 1202 | G | 34.1 | Very low | 36.3 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 152.8 | 111.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1203 | M | 40.5 | Very low | 36.5 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -99.8 | -177.5 | 172.2 | -62.3 | 175 | 73.4 | 0 | 0 | 111.4 | ||||
| 1204 | K | 33.6 | Very low | 36.2 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 92.4 | 131.3 | 168.4 | -161.1 | 178.3 | -172.2 | 179.4 | 0 | 113.7 | E1206 | K1204-E1206 VanDerWaalsContact CE-OE2 3.26Å; K1204-E1206 WeakPolarHBondContact CE-OE2 3.3Å | ||
| 1205 | G | 32.1 | Very low | 36.1 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | -169.7 | -163.4 | -4.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1206 | E | 32.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | cis | -177 | 158.9 | -15.4 | -112.8 | 174.1 | 141.5 | 0 | 0 | 105.1 | K1204 | K1204-E1206 VanDerWaalsContact CE-OE2 3.26Å; K1204-E1206 WeakPolarHBondContact CE-OE2 3.3Å | ||
| 1207 | T | 35.7 | Very low | 36 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | 69.7 | 142.8 | 168.7 | -39.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1208 | G | 32.3 | Very low | 35.8 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 176.1 | 170.1 | -1.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1209 | E | 37.6 | Very low | 35.8 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | cis | -151.5 | 144.2 | 13 | -68.8 | -174.6 | 134.6 | 0 | 0 | 107.2 | ||||
| 1210 | Q | 34.5 | Very low | 35.7 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | 62.3 | 134.7 | 89.2 | -148.6 | 173.7 | -11.7 | 0 | 0 | 114.3 | |||||
| 1211 | G | 32.5 | Very low | 35.7 | Very low | 57 Ų | 57 | 133.8 Ų | 133.8 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | cis | -157 | 159.5 | 4.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1212 | V | 36.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | 42.6 | 138.3 | 97.1 | -68.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1213 | P | 38.7 | Very low | 35.9 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | cis | -136.1 | -177 | 34.7 | 35.2 | -14 | 0 | 0 | 0 | 116.1 | ||||
| 1214 | G | 37.2 | Very low | 35.7 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -157.8 | 116.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1215 | E | 32.5 | Very low | 35.9 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 172.2 | 170.8 | -75.5 | -150.6 | 141.2 | 0 | 0 | 108.1 | ||||
| 1216 | P | 36.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -135 | 151.2 | -64.9 | 37.6 | -20.5 | 0 | 0 | 0 | 114.9 | |||||
| 1217 | G | 34.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 67.3 | 123.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1218 | R | 36.2 | Very low | 36.7 | Very low | 234 Ų | 234 | 120.8 Ų | 120.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -148 | 159.6 | 140.1 | -82 | -154.8 | 173.9 | -164.9 | -3.6 | 110.6 | ||||
| 1219 | T | 34.5 | Very low | 36.8 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -122 | 144.7 | -154.4 | -53.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1220 | G | 44.4 | Very low | 36.6 | Very low | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 82.5 | 169.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1221 | P | 37.1 | Very low | 36.7 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | cis | -114.7 | 174.3 | 24.6 | 40 | -31.8 | 0 | 0 | 0 | 116.8 | ||||
| 1222 | V | 37 | Very low | 36.9 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 157.3 | -176.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1223 | G | 37 | Very low | 36.7 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 153.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1224 | S | 36.5 | Very low | 37.1 | Very low | 114 Ų | 114 | 118.2 Ų | 118.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 124 | 178.2 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1225 | P | 38.2 | Very low | 37.1 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 158.1 | 167.3 | -20.5 | 33.6 | 0 | 0 | 0 | 112.6 | ||
| 1226 | G | 38.7 | Very low | 36.9 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 141.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1227 | P | 43 | Very low | 36.8 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 129.6 | 173.1 | 33.8 | -30.1 | 0 | 0 | 0 | 113.1 | ||
| 1228 | P | 34.7 | Very low | 36.8 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 166 | 159.7 | -18.1 | 33.3 | 0 | 0 | 0 | 112.7 | ||
| 1229 | G | 35.4 | Very low | 36.7 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -78.8 | -163.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1230 | S | 32.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | cis | -165.1 | 161.6 | 4.3 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1231 | L | 37.8 | Very low | 36.7 | Very low | 174 Ų | 174 | 115.2 Ų | 115.2 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | 57.5 | 125.8 | 151.9 | -156.3 | 73.6 | 0 | 0 | 0 | 121.8 | ||||
| 1232 | G | 36.3 | Very low | 36.4 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -173.3 | 136 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1233 | S | 31.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -122.6 | -156.7 | -158.6 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1234 | P | 47.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -114.8 | 175.5 | -118.3 | 34.5 | -15.1 | 0 | 0 | 0 | 116.2 | |||||
| 1235 | G | 36.7 | Very low | 36.3 | Very low | 77 Ų | 77 | 120.9 Ų | 120.9 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -150.5 | 149.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1236 | Q | 29.2 | Very low | 36.3 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -110.6 | 148.2 | -157.8 | -67.5 | 175.8 | -23.7 | 0 | 0 | 116.4 | ||||
| 1237 | Q | 32.8 | Very low | 36.3 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 49.7 | 131.4 | 131.3 | -165.6 | 173.3 | -2 | 0 | 0 | 122.6 | ||||
| 1238 | G | 35.8 | Very low | 35.9 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -173.9 | 121.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1239 | V | 33.6 | Very low | 36 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -121.6 | -175.3 | -172.1 | -99.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1240 | P | 45.5 | Very low | 36 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | -138.4 | -172.1 | -34.9 | 35.8 | -16.9 | 0 | 0 | 0 | 113.9 | ||||
| 1241 | G | 33.3 | Very low | 36 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 139.3 | 151.4 | 152 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1242 | V | 31.1 | Very low | 35.8 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | cis | -160.7 | 157.2 | -9.5 | -152.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1243 | M | 39.2 | Very low | 36.3 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | 64.3 | 142.2 | 148.2 | -167.7 | 170 | 62.8 | 0 | 0 | 119.3 | ||||
| 1244 | G | 36.2 | Very low | 36.7 | Very low | 61 Ų | 61 | 127.9 Ų | 127.9 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 157.6 | 155.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1245 | K | 32.5 | Very low | 36.3 | Very low | 200 Ų | 200 | 130.3 Ų | 130.3 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | 71.9 | 154.2 | 169.4 | -60 | -178.5 | -175.4 | -179.8 | 0 | 116.1 | ||||
| 1246 | Q | 38.3 | Very low | 36.3 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | cis | -164.8 | 163.7 | -12.5 | 159.3 | 174.5 | -8 | 0 | 0 | 107.3 | ||||
| 1247 | G | 38.1 | Very low | 36.6 | Very low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -129.7 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1248 | K | 33.9 | Very low | 36.8 | Very low | 200 Ų | 200 | 128.7 Ų | 128.7 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | 98.9 | 145 | 160.2 | -61.3 | -169.7 | 175.1 | -175.2 | 0 | 120 | ||||
| 1249 | T | 37.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 72.2 | 139.6 | 160.8 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1250 | G | 35.5 | Very low | 37 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | cis | 161.3 | 176.7 | 10.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1251 | E | 33.1 | Very low | 36.8 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 62% | 0.621 | 77% | 0.77 | S | S | * | * | cis | -173.3 | 159.9 | 5.3 | -118.9 | -175.1 | 166.3 | 0 | 0 | 109.1 | ||||
| 1252 | R | 34.6 | Very low | 36.8 | Very low | 196 Ų | 196 | 135 Ų | 135 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | 57.2 | 145.4 | 138.5 | -162.2 | 175.7 | -68.1 | 116.7 | 9.6 | 119.7 | ||||
| 1253 | G | 45.6 | Very low | 37.2 | Very low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 118.4 | 141.4 | 5.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1254 | S | 39.7 | Very low | 37.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -174.4 | 157 | 167.6 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1255 | E | 40.3 | Very low | 37.7 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | cis | -168.7 | 163.5 | -38.7 | -117.5 | 176.9 | 103.3 | 0 | 0 | 106.9 | ||||
| 1256 | G | 36.4 | Very low | 38.1 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | -154.1 | -146.9 | -4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1257 | L | 36.6 | Very low | 38.5 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | cis | -148.3 | 145.5 | -7 | -88 | 170.2 | 0 | 0 | 0 | 108.4 | ||||
| 1258 | Q | 36.5 | Very low | 38.6 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | 46 | 124.7 | 140.8 | -160.4 | 174.5 | 29.1 | 0 | 0 | 120.4 | ||||
| 1259 | G | 35.7 | Very low | 38.8 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 141.7 | 142.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1260 | K | 38.3 | Very low | 39 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -171.7 | 133.2 | 153.7 | -108.8 | 166.4 | -170.1 | -177.9 | 0 | 113.6 | ||||
| 1261 | Q | 40.4 | Very low | 39.2 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 9.5 | 132 | 146.1 | -163.2 | 165.7 | -6.4 | 0 | 0 | 119.4 | ||||
| 1262 | G | 34.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 163.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1263 | D | 39.5 | Very low | 39.8 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 156.1 | -176.5 | -74.7 | -52.5 | 0 | 0 | 0 | 113.8 | ||
| 1264 | P | 46 | Very low | 39.4 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 166.6 | -170.7 | -13.2 | 31.4 | 0 | 0 | 0 | 114.8 | ||
| 1265 | G | 38.5 | Very low | 39.2 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 140.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1267 | G1265-P1267 WeakPolarHBondContact O-CD 3.4Š|
| 1266 | I | 41.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.9 | -174.1 | -57 | 173.8 | 0 | 0 | 0 | 110.6 | ||
| 1267 | P | 47.2 | Very low | 39.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.2 | 173 | -17.5 | 32.1 | 0 | 0 | 0 | 112.1 | G1265 | G1265-P1267 WeakPolarHBondContact O-CD 3.4Š|
| 1268 | G | 41.5 | Very low | 39.1 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 149 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1270 | G1268-R1270 PolarHBondContact O-N 3.22Å; G1268-R1270 VanDerWaalsContact O-N 3.13Å |
| 1269 | D | 37.5 | Very low | 39.3 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 94% | 0.941 | 80% | 0.799 | S | S | * | * | trans | -59.3 | 113 | -173 | -74.8 | -45.6 | 0 | 0 | 0 | 113.4 | ||||
| 1270 | R | 41 | Very low | 39.6 | Very low | 240 Ų | 240 | 135.7 Ų | 135.7 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 112.9 | 169.6 | -174.3 | -180 | -174.3 | 177.4 | 2.1 | 108.5 | G1268 | G1268-R1270 PolarHBondContact O-N 3.22Å; G1268-R1270 VanDerWaalsContact O-N 3.13Å | ||
| 1271 | G | 40.1 | Very low | 39.6 | Very low | 55 Ų | 55 | 131.8 Ų | 131.8 | 57% | 0.567 | 80% | 0.795 | S | S | * | * | trans | -55.1 | 150.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1273 | G1271-K1273 PolarHBondContact O-N 2.94Š| ||
| 1272 | P | 41.9 | Very low | 39.6 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -69.7 | 99.8 | -176.6 | 28.1 | -34.6 | 0 | 0 | 0 | 111.4 | G1274 | P1272-G1274 PolarHBondContact O-N 3.08Š| ||
| 1273 | K | 37 | Very low | 39.8 | Very low | 210 Ų | 210 | 128.9 Ų | 128.9 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -91.1 | 92.9 | 169.7 | -171.3 | 177.9 | -178.8 | 177.9 | 0 | 110.7 | G1271 | G1271-K1273 PolarHBondContact O-N 2.94Š| ||
| 1274 | G | 37.3 | Very low | 40 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 48.4 | 108.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | P1272 | P1272-G1274 PolarHBondContact O-N 3.08Š| ||
| 1275 | S | 35.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 130 Ų | 130 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 129.8 | 144.8 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1276 | K | 38.7 | Very low | 40.1 | Very low | 203 Ų | 203 | 129.8 Ų | 129.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -138.9 | 123.4 | 176.5 | -169.2 | -177.8 | -175 | -176.1 | 0 | 109 | ||||
| 1277 | G | 39.4 | Very low | 39.8 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | 153.1 | 129.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1278 | T | 33 | Very low | 39.5 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | cis | 170.6 | 119.7 | -44 | 35.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1279 | Y | 41 | Very low | 39.3 | Very low | 233 Ų | 233 | 128 Ų | 128 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | 62 | 141.2 | 173.5 | -48.6 | -75.8 | 0 | 0 | 0 | 116.1 | ||||
| 1280 | G | 42.2 | Very low | 39.4 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | 149.5 | 138.3 | 3.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1281 | P | 37.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -153.9 | 151.5 | 97.7 | 36.5 | -16.9 | 0 | 0 | 0 | 117.9 | |||||
| 1282 | V | 40.3 | Very low | 39.4 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 55.9 | 113.3 | 139.8 | -176.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1283 | G | 39.3 | Very low | 39 | Very low | 59 Ų | 59 | 123 Ų | 123 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | 51.3 | 119.5 | 124 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1284 | P | 42.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | -107.1 | 106.3 | 79.7 | 30.1 | -34 | 0 | 0 | 0 | 110.8 | |||||
| 1285 | L | 38.4 | Very low | 39.1 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | 46.8 | 91.6 | 90.6 | -163.8 | 69.6 | 0 | 0 | 0 | 111.6 | |||||
| 1286 | G | 49.2 | Very low | 38.6 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 153.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1287 | P | 35.3 | Very low | 38.5 | Very low | 122 Ų | 122 | 113.2 Ų | 113.2 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 170.6 | 149 | 16 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1288 | P | 40.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -73 | 160 | -155.4 | -22 | 35 | 0 | 0 | 0 | 116.7 | ||
| 1289 | G | 35.7 | Very low | 38 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1291 | G1289-K1291 PolarHBondContact O-N 3.01Š|
| 1290 | P | 40.8 | Very low | 37.8 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 116.1 | 175.4 | 26.4 | -32.3 | 0 | 0 | 0 | 111.1 | ||
| 1291 | K | 34.5 | Very low | 37.3 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -45.7 | 141.1 | 168.6 | -173.5 | -171.3 | -173.5 | -168.7 | 0 | 112.4 | G1289 E1293 | G1289-K1291 PolarHBondContact O-N 3.01Å; K1291-E1293 HydrophobicContact CD-CG 4.44Å; K1291-E1293 VanDerWaalsContact CE-OE1 3.27Å; K1291-E1293 WeakPolarHBondContact CE-OE1 3.42Å; K1291-E1293 IonicContact NZ-OE1 2.61Å; K1291-E1293 PolarHBondContact NZ-OE1 3.08Å | ||
| 1292 | G | 47 | Very low | 37.6 | Very low | 74 Ų | 74 | 114.5 Ų | 114.5 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | -81.5 | 124.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1293 | E | 33.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | trans | -129 | 123.8 | 159.5 | -84.2 | 177 | -173.1 | 0 | 0 | 105.7 | K1291 | K1291-E1293 HydrophobicContact CD-CG 4.44Å; K1291-E1293 VanDerWaalsContact CE-OE1 3.27Å; K1291-E1293 WeakPolarHBondContact CE-OE1 3.42Å; K1291-E1293 IonicContact NZ-OE1 2.61Å; K1291-E1293 PolarHBondContact NZ-OE1 3.08Å | ||
| 1294 | Q | 29.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | 76.4 | 127.2 | 72.2 | -164.3 | 174.5 | 21.1 | 0 | 0 | 111.3 | G1136 I1137 | G1136-Q1294 PolarHBondContact O-NE2 3.36Å; I1137-Q1294 HydrophobicContact CB-CG 4.45Å; I1137-Q1294 HydrophobicContact CG1-CG 3.83Å; I1137-Q1294 HydrophobicContact CG2-CG 4.1Å | |||
| 1295 | G | 46.8 | Very low | 37.2 | Very low | 49 Ų | 49 | 111.7 Ų | 111.7 | 51% | 0.505 | 71% | 0.713 | S | S | . | * | trans | -80.9 | -157.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1137 | I1137-G1295 WeakPolarHBondContact CG1-O 3.01Å; I1137-G1295 VanDerWaalsContact CG2-O 3.23Å; I1137-G1295 WeakPolarHBondContact CG2-O 3.3Å | ||
| 1296 | V | 25 | Very low | 37 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -158.9 | 160.5 | 150 | -116.6 | 0 | 0 | 0 | 0 | 106.6 | I1137 | I1137-V1296 HydrophobicContact CB-CG1 4.16Å; I1137-V1296 HydrophobicContact CG2-CB 4.28Å; I1137-V1296 HydrophobicContact CG2-CG1 3.43Å; I1137-V1296 VanDerWaalsContact CG2-CG1 3.43Å | ||
| 1297 | P | 36.1 | Very low | 36.2 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | trans | -99.6 | -167.2 | -152.5 | -0.5 | 24.2 | 0 | 0 | 0 | 114.7 | ||||
| 1298 | G | 32.5 | Very low | 36 | Very low | 74 Ų | 74 | 107.6 Ų | 107.6 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | trans | -69.8 | 175.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1299 | L | 31 | Very low | 35.7 | Very low | 183 Ų | 183 | 105.1 Ų | 105.1 | 96% | 0.958 | 66% | 0.657 | S | S | * | * | trans | -117.6 | 95 | 176.6 | -73.5 | 168.5 | 0 | 0 | 0 | 110.4 | ||||
| 1300 | E | 35.8 | Very low | 35.7 | Very low | 203 Ų | 203 | 103.9 Ų | 103.9 | 95% | 0.949 | 64% | 0.644 | S | S | * | * | trans | -119.5 | 135.3 | 142.5 | -170.6 | 173.3 | -130.2 | 0 | 0 | 106 | ||||
| 1301 | G | 31.8 | Very low | 35.2 | Very low | 69 Ų | 69 | 103.3 Ų | 103.3 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | cis | -155.3 | -166.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1302 | A | 44.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | trans | -79.2 | 141 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1303 | R | 33.7 | Very low | 35.8 | Very low | 167 Ų | 167 | 106.6 Ų | 106.6 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | -168.3 | 134.1 | 113.3 | -156.5 | 172.5 | -167.1 | 135 | 11.3 | 111 | D553 | D553-R1303 VanDerWaalsContact CG-NH2 3.3Å; D553-R1303 IonicContact OD1-CZ 3.28Å; D553-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D553-R1303 IonicContact OD1-NH1 2.66Å; D553-R1303 PolarHBondContact OD1-NH1 2.83Å; D553-R1303 IonicContact OD1-NH2 2.68Å; D553-R1303 PolarHBondContact OD1-NH2 3.24Å; D553-R1303 VanDerWaalsContact OD1-NH2 3.13Å; D553-R1303 IonicContact OD2-CZ 3.69Å; D553-R1303 IonicContact OD2-NH1 3.78Å; D553-R1303 IonicContact OD2-NH2 2.8Å; D553-R1303 PolarHBondContact OD2-NH2 2.98Å | |||
| 1304 | G | 35.4 | Very low | 35.9 | Very low | 59 Ų | 59 | 106.7 Ų | 106.7 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | -179.3 | 21.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1305 | V | 43.7 | Very low | 36.6 | Very low | 47 Ų | 47 | 107.2 Ų | 107.2 | 29% | 0.285 | 66% | 0.657 | S | S | . | * | trans | -63.1 | 151.3 | 143.6 | -105.6 | 0 | 0 | 0 | 0 | 107 | G548 P550 | G548-V1305 WeakPolarHBondContact O-CG1 3.21Å; G548-V1305 PolarHBondContact O-N 3.42Å; P550-V1305 HydrophobicContact CB-CG2 3.66Å; P550-V1305 HydrophobicContact CG-CG1 4.34Å; P550-V1305 HydrophobicContact CG-CG2 3.74Å; P550-V1305 VanDerWaalsContact N-CG2 3.3Å | ||
| 1306 | V | 35 | Very low | 36.6 | Very low | 127 Ų | 127 | 107.7 Ų | 107.7 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | cis | -135 | 157.1 | 29.1 | 175.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1307 | G | 32.3 | Very low | 37.4 | Very low | 33 Ų | 33 | 108.2 Ų | 108.2 | 34% | 0.34 | 67% | 0.668 | S | S | . | * | cis | -171.8 | -173.8 | 2.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | S547 | S547-G1307 VanDerWaalsContact OG-C 3.25Å; S547-G1307 WeakPolarHBondContact OG-CA 3.39Å; S547-G1307 PolarHBondContact OG-N 3.41Å; S547-G1307 PolarHBondContact OG-O 3.15Å | ||
| 1308 | L | 30.9 | Very low | 37.8 | Very low | 110 Ų | 110 | 107.9 Ų | 107.9 | 58% | 0.576 | 67% | 0.674 | S | S | * | * | cis | -160.2 | 122.5 | 15.9 | -89.7 | 166.1 | 0 | 0 | 0 | 109.5 | S544 G545 | S544-L1308 CarbonylContact C-O 3.6Å; S544-L1308 WeakPolarHBondContact CA-O 3.1Å; S544-L1308 WeakPolarHBondContact CB-O 3.38Å; S544-L1308 PolarHBondContact N-O 3.27Å; G545-L1308 PolarHBondContact N-O 2.93Å; G545-L1308 VanDerWaalsContact N-O 3.13Å; G545-L1308 CarbonylContact O-C 2.84Å; G545-L1308 WeakPolarHBondContact O-CA 3.31Å; G545-L1308 PolarHBondContact O-N 2.87Å | ||
| 1309 | K | 35.6 | Very low | 38.6 | Very low | 75 Ų | 75 | 107.8 Ų | 107.8 | 33% | 0.326 | 67% | 0.673 | S | S | . | * | trans | 59.5 | 97.5 | 139.3 | -171 | -161.2 | 169.4 | -153.7 | 0 | 119 | G542 R543 S544 G545 | G542-K1309 PolarHBondContact O-NZ 3.16Å; R543-K1309 CarbonylContact C-O 3.59Å; R543-K1309 WeakPolarHBondContact CA-O 3.47Å; R543-K1309 WeakPolarHBondContact CB-O 3.33Å; R543-K1309 WeakPolarHBondContact CD-O 3.29Å; R543-K1309 HydrophobicContact CG-CD 3.74Å; R543-K1309 VanDerWaalsContact CG-CE 3.49Å; R543-K1309 HydrophobicContact CG-CG 3.74Å; R543-K1309 WeakPolarHBondContact CG-O 3.43Å; S544-K1309 CarbonylContact C-O 3.58Å; S544-K1309 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact O-C 2.9Å; G545-K1309 PolarHBondContact O-N 2.77Å | ||
| 1310 | G | 33.8 | Very low | 39.1 | Very low | 39 Ų | 39 | 107 Ų | 107 | 40% | 0.402 | 67% | 0.67 | S | S | . | * | trans | -124.5 | 134.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R543 S544 | R543-G1310 PolarHBondContact NH1-O 2.9Å; S544-G1310 WeakPolarHBondContact O-CA 3.41Å; S544-G1310 PolarHBondContact O-N 2.87Å; S544-G1310 VanDerWaalsContact O-N 3.11Å | ||
| 1311 | E | 30.9 | Very low | 39.8 | Very low | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 66% | 0.66 | S | S | * | * | trans | -93.1 | 166.5 | -162.8 | -137.8 | 131.9 | -146.7 | 0 | 0 | 115.3 | R543 G1313 | R543-E1311 WeakPolarHBondContact CD-OE2 3.31Å; R543-E1311 IonicContact CZ-OE1 3.59Å; R543-E1311 VanDerWaalsContact CZ-OE1 3.23Å; R543-E1311 IonicContact CZ-OE2 2.65Å; R543-E1311 IonicContact NE-OE1 2.75Å; R543-E1311 PolarHBondContact NE-OE1 2.79Å; R543-E1311 IonicContact NE-OE2 3.89Å; R543-E1311 PolarHBondContact NE-OE2 2.88Å; R543-E1311 IonicContact NH2-OE1 3.36Å; R543-E1311 PolarHBondContact NH2-OE1 3.32Å; R543-E1311 IonicContact NH2-OE2 3.9Å; E1311-G1313 PolarHBondContact O-N 2.85Å | ||
| 1312 | R | 40.7 | Very low | 40.4 | Very low | 243 Ų | 243 | 103.2 Ų | 103.2 | 92% | 0.917 | 67% | 0.665 | S | S | * | * | trans | -56 | 124.2 | 162 | 173.4 | -178.5 | -83.3 | -175.6 | -6.5 | 108.5 | ||||
| 1313 | G | 54.4 | Low | 40.5 | Very low | 62 Ų | 62 | 108.4 Ų | 108.4 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | trans | -81 | -175.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1311 | E1311-G1313 PolarHBondContact O-N 2.85Š| ||
| 1314 | P | 35.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 106.4 Ų | 106.4 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 163.3 | 176.4 | 36.1 | -33 | 0 | 0 | 0 | 113.2 | ||
| 1315 | V | 42.4 | Very low | 41.7 | Very low | 141 Ų | 141 | 106.8 Ų | 106.8 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 150 | -176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1316 | G | 48.1 | Very low | 41.9 | Very low | 60 Ų | 60 | 111 Ų | 111 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1317 | P | 41.4 | Very low | 42.6 | Very low | 131 Ų | 131 | 110.8 Ų | 110.8 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 149.4 | -173 | 26.8 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 1318 | A | 43.8 | Very low | 43.3 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 151 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1319 | G | 49.7 | Very low | 44.1 | Very low | 72 Ų | 72 | 113.4 Ų | 113.4 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 155.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1320 | D | 42.1 | Very low | 44.9 | Very low | 166 Ų | 166 | 118 Ų | 118 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147.6 | -179.2 | -67.8 | -57.5 | 0 | 0 | 0 | 112.9 | ||
| 1321 | P | 50.3 | Low | 45.7 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 147.5 | -159.7 | -2.9 | 24.8 | 0 | 0 | 0 | 114.2 | ||
| 1322 | G | 44.6 | Very low | 46.6 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1323 | Q | 45.5 | Very low | 46.9 | Very low | 195 Ų | 195 | 116.7 Ų | 116.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 157.8 | -168.6 | -73.7 | -179.3 | -13.6 | 0 | 0 | 115 | ||
| 1324 | P | 47.9 | Very low | 46.9 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 151 | -169.8 | -1.4 | 21.9 | 0 | 0 | 0 | 114.1 | ||
| 1325 | G | 47.5 | Very low | 47.4 | Very low | 67 Ų | 67 | 116.5 Ų | 116.5 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 148.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1326 | P | 47.3 | Very low | 47.3 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 150.9 | -167.5 | 30.4 | -36.1 | 0 | 0 | 0 | 115 | ||
| 1327 | S | 50 | Low | 47.2 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.3 | -174.4 | -47.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1328 | G | 47.7 | Very low | 47.2 | Very low | 63 Ų | 63 | 116.4 Ų | 116.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 153.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1329 | P | 46.9 | Very low | 47.6 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 145.9 | -171.1 | 29.9 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 1330 | I | 51.9 | Low | 47.5 | Very low | 171 Ų | 171 | 117.2 Ų | 117.2 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129.7 | 179.2 | -69.2 | 169.6 | 0 | 0 | 0 | 110.4 | ||
| 1331 | G | 51.6 | Low | 47.7 | Very low | 57 Ų | 57 | 115.1 Ų | 115.1 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 150.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1332 | P | 48.4 | Very low | 47.8 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 151.2 | -170.1 | 27.6 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 1333 | E | 47.5 | Very low | 47.9 | Very low | 193 Ų | 193 | 115.4 Ų | 115.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129 | -177.7 | -169.2 | 172.2 | -166.2 | 0 | 0 | 112.3 | ||
| 1334 | G | 54.1 | Low | 47.8 | Very low | 60 Ų | 60 | 113.9 Ų | 113.9 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 141 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1335 | P | 46.4 | Very low | 47.9 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 146.5 | -170.4 | 26.9 | -35.2 | 0 | 0 | 0 | 113.3 | G1337 | P1335-G1337 PolarHBondContact O-N 3.48Š|
| 1336 | A | 41.2 | Very low | 47.7 | Very low | 81 Ų | 81 | 113.7 Ų | 113.7 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1338 | A1336-H1338 PolarHBondContact O-N 3.42Å; A1336-H1338 PolarHBondContact O-ND1 2.77Å |
| 1337 | G | 45.5 | Very low | 47.6 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P1335 P1339 | P1335-G1337 PolarHBondContact O-N 3.48Å; G1337-P1339 WeakPolarHBondContact O-CD 3.45Å |
| 1338 | H | 41.7 | Very low | 47.4 | Very low | 176 Ų | 176 | 113.2 Ų | 113.2 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 125.3 | -172.2 | -57.3 | 3 | 0 | 0 | 0 | 110.9 | A1336 G1340 | A1336-H1338 PolarHBondContact O-N 3.42Å; A1336-H1338 PolarHBondContact O-ND1 2.77Å; H1338-G1340 PolarHBondContact O-N 3.12Å |
| 1339 | P | 51.2 | Low | 47.2 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 128.7 | 163.4 | -19.4 | 33 | 0 | 0 | 0 | 108.9 | G1337 | G1337-P1339 WeakPolarHBondContact O-CD 3.45Š|
| 1340 | G | 47.1 | Very low | 46.8 | Very low | 60 Ų | 60 | 116.3 Ų | 116.3 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 160.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1338 | H1338-G1340 PolarHBondContact O-N 3.12Š|
| 1341 | P | 47.1 | Very low | 46.4 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56 | 145 | -179.2 | 24.8 | -34.5 | 0 | 0 | 0 | 110.8 | G1343 | P1341-G1343 PolarHBondContact O-N 3.48Å; P1341-G1343 VanDerWaalsContact O-N 3.14Å |
| 1342 | P | 52.7 | Low | 46 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 124.4 | 175.6 | -26.6 | 34.5 | 0 | 0 | 0 | 110.3 | L1344 | P1342-L1344 PolarHBondContact O-N 2.85Š|
| 1343 | G | 46 | Very low | 45.5 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1341 | P1341-G1343 PolarHBondContact O-N 3.48Å; P1341-G1343 VanDerWaalsContact O-N 3.14Å |
| 1344 | L | 43.8 | Very low | 45.6 | Very low | 163 Ų | 163 | 113.2 Ų | 113.2 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 139.1 | 179.2 | -76.2 | 165.6 | 0 | 0 | 0 | 109.8 | P1342 G1346 | P1342-L1344 PolarHBondContact O-N 2.85Å; L1344-G1346 PolarHBondContact O-N 3.41Å |
| 1345 | P | 49.9 | Very low | 45.2 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 122.4 | 178.4 | -27.1 | 34.1 | 0 | 0 | 0 | 109.7 | V1347 | P1345-V1347 PolarHBondContact O-N 2.81Š|
| 1346 | G | 43.9 | Very low | 45 | Very low | 71 Ų | 71 | 112.9 Ų | 112.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 120.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L1344 P1348 | L1344-G1346 PolarHBondContact O-N 3.41Å; G1346-P1348 VanDerWaalsContact O-N 3.17Å |
| 1347 | V | 44.2 | Very low | 45.3 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 126.2 | -176.9 | -167.8 | 0 | 0 | 0 | 0 | 107.4 | P1345 G1349 | P1345-V1347 PolarHBondContact O-N 2.81Å; V1347-G1349 PolarHBondContact O-N 3.27Å |
| 1348 | P | 46.1 | Very low | 45 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -48.9 | 115.6 | -178.7 | -29.4 | 35 | 0 | 0 | 0 | 108.9 | G1346 Q1350 | G1346-P1348 VanDerWaalsContact O-N 3.17Å; P1348-Q1350 PolarHBondContact O-N 2.85Å | ||
| 1349 | G | 44.6 | Very low | 44.9 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -51.2 | 129.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V1347 K1351 | V1347-G1349 PolarHBondContact O-N 3.27Å; G1349-K1351 PolarHBondContact O-N 3.46Å | ||
| 1350 | Q | 38.3 | Very low | 44.5 | Very low | 193 Ų | 193 | 109.8 Ų | 109.8 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -44.9 | 117.1 | -176.3 | -83.2 | -173.2 | -4 | 0 | 0 | 108.2 | P1348 G1352 | P1348-Q1350 PolarHBondContact O-N 2.85Å; Q1350-G1352 PolarHBondContact O-N 2.91Å | ||
| 1351 | K | 42.2 | Very low | 43.9 | Very low | 201 Ų | 201 | 109.7 Ų | 109.7 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -46.4 | 110.8 | 176.2 | 179.5 | 179.8 | -176.3 | 178.3 | 0 | 105.7 | G1349 S1353 | G1349-K1351 PolarHBondContact O-N 3.46Å; K1351-S1353 PolarHBondContact O-N 3.32Å | ||
| 1352 | G | 43.8 | Very low | 43.4 | Very low | 59 Ų | 59 | 106.5 Ų | 106.5 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -49 | 131.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q1350 S1354 | Q1350-G1352 PolarHBondContact O-N 2.91Å; G1352-S1354 PolarHBondContact O-N 3.32Å; G1352-S1354 VanDerWaalsContact O-N 3.07Å | ||
| 1353 | S | 39 | Very low | 42.5 | Very low | 115 Ų | 115 | 104.7 Ų | 104.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -45.4 | 126.4 | 172.6 | 51.2 | 0 | 0 | 0 | 0 | 106.5 | K1351 G1355 | K1351-S1353 PolarHBondContact O-N 3.32Å; S1353-G1355 PolarHBondContact O-N 2.98Å; S1353-G1355 VanDerWaalsContact O-N 3.08Å | ||
| 1354 | S | 49.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 104.2 Ų | 104.2 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -38.7 | 126.1 | 174.5 | -44.3 | 0 | 0 | 0 | 0 | 107 | G1352 | G1352-S1354 PolarHBondContact O-N 3.32Å; G1352-S1354 VanDerWaalsContact O-N 3.07Å | ||
| 1355 | G | 45.9 | Very low | 41.4 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | trans | -47.7 | 142.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | S1353 A1357 | S1353-G1355 PolarHBondContact O-N 2.98Å; S1353-G1355 VanDerWaalsContact O-N 3.08Å; G1355-A1357 PolarHBondContact O-N 3.33Å; G1355-A1357 VanDerWaalsContact O-N 3.08Å | ||
| 1356 | P | 42.1 | Very low | 40.6 | Very low | 127 Ų | 127 | 101.4 Ų | 101.4 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -45.9 | 131 | 172.1 | 23 | -33.3 | 0 | 0 | 0 | 106.4 | G1358 | P1356-G1358 PolarHBondContact O-N 2.69Š| ||
| 1357 | A | 46.3 | Very low | 40 | Very low | 95 Ų | 95 | 103.8 Ų | 103.8 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -45.3 | 126 | 176.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | G1355 | G1355-A1357 PolarHBondContact O-N 3.33Å; G1355-A1357 VanDerWaalsContact O-N 3.08Å | ||
| 1358 | G | 39.8 | Very low | 39.5 | Very low | 57 Ų | 57 | 102.4 Ų | 102.4 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | trans | -48.4 | 142.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | P1356 P1360 | P1356-G1358 PolarHBondContact O-N 2.69Å; G1358-P1360 VanDerWaalsContact O-N 3.09Å | ||
| 1359 | P | 40 | Very low | 38.7 | Very low | 118 Ų | 118 | 101 Ų | 101 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -44.1 | 129.7 | 174.1 | 21.8 | -33.2 | 0 | 0 | 0 | 106.6 | G1361 | P1359-G1361 PolarHBondContact O-N 3.46Š|
| 1360 | P | 42.6 | Very low | 38 | Very low | 121 Ų | 121 | 104.4 Ų | 104.4 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -42.3 | 122.5 | -175.5 | -30.1 | 34.4 | 0 | 0 | 0 | 107.3 | G1358 | G1358-P1360 VanDerWaalsContact O-N 3.09Š| ||
| 1361 | G | 35.4 | Very low | 37.8 | Very low | 57 Ų | 57 | 102.5 Ų | 102.5 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -48.5 | 134.8 | -175 | 0 | 0 | 0 | 0 | 0 | 107.4 | P1359 P1363 | P1359-G1361 PolarHBondContact O-N 3.46Å; G1361-P1363 VanDerWaalsContact O-N 3.13Å | ||
| 1362 | P | 36.2 | Very low | 37.4 | Very low | 57 Ų | 57 | 97.2 Ų | 97.2 | 37% | 0.37 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -39.4 | 127.2 | -179.6 | 11.4 | -27.2 | 0 | 0 | 0 | 108.2 | G1364 E1458 F1459 | P1362-G1364 PolarHBondContact O-N 3.32Å; P1362-E1458 HydrophobicContact CB-CB 4.21Å; P1362-E1458 HydrophobicContact CB-CG 4.22Å; P1362-E1458 VanDerWaalsContact CB-OE1 3.26Å; P1362-E1458 WeakPolarHBondContact CB-OE1 3.37Å; P1362-E1458 WeakPolarHBondContact CB-OE2 3.39Å; P1362-F1459 HydrophobicContact CB-CD2 4.48Å; P1362-F1459 HydrophobicContact CB-CE2 3.9Å; P1362-F1459 HydrophobicContact CG-CE2 4.42Å |
| 1363 | P | 34.1 | Very low | 36.8 | Very low | 87 Ų | 87 | 104 Ų | 104 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | trans | -44.8 | 107.5 | -168.5 | -30.1 | 34.6 | 0 | 0 | 0 | 109.2 | G1361 P1365 | G1361-P1363 VanDerWaalsContact O-N 3.13Å; P1363-P1365 WeakPolarHBondContact O-CA 3.35Å | ||
| 1364 | G | 31.1 | Very low | 36.3 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | trans | -51 | 123.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | P1362 I1366 | P1362-G1364 PolarHBondContact O-N 3.32Å; G1364-I1366 PolarHBondContact O-N 2.81Å; G1364-I1366 VanDerWaalsContact O-N 3.17Å | ||
| 1365 | P | 35.8 | Very low | 35.5 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 57% | 0.571 | 66% | 0.664 | S | S | * | * | trans | -41.3 | 119 | -144.3 | 11.1 | -29.7 | 0 | 0 | 0 | 109.5 | P1363 K1367 | P1363-P1365 WeakPolarHBondContact O-CA 3.35Å; P1365-K1367 PolarHBondContact O-N 2.82Å | ||
| 1366 | I | 31.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 113 Ų | 113 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -43.8 | 107.6 | -172.1 | -65 | 172.8 | 0 | 0 | 0 | 107 | G1364 V1368 | G1364-I1366 PolarHBondContact O-N 2.81Å; G1364-I1366 VanDerWaalsContact O-N 3.17Å; I1366-V1368 WeakPolarHBondContact O-CG2 3.1Å; I1366-V1368 PolarHBondContact O-N 3.21Å | ||
| 1367 | K | 31 | Very low | 34.3 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 53% | 0.526 | 67% | 0.672 | S | S | . | * | trans | -54.4 | 115.5 | 169 | -81.3 | 175.7 | 151.4 | -150.3 | 0 | 105 | P1365 L1369 E1427 | P1365-K1367 PolarHBondContact O-N 2.82Å; K1367-L1369 PolarHBondContact O-N 2.96Å; K1367-E1427 VanDerWaalsContact CD-OE1 3.25Å; K1367-E1427 WeakPolarHBondContact CD-OE1 3.21Å; K1367-E1427 WeakPolarHBondContact CE-OE1 3.47Å; K1367-E1427 WeakPolarHBondContact CE-OE2 3.22Å; K1367-E1427 IonicContact NZ-OE1 3.46Å; K1367-E1427 PolarHBondContact NZ-OE1 3.47Å; K1367-E1427 IonicContact NZ-OE2 3.38Å; K1367-E1427 PolarHBondContact NZ-OE2 3.3Å | ||
| 1368 | V | 33.9 | Very low | 33.8 | Very low | 102 Ų | 102 | 121 Ų | 121 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.6 | 73 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | I1366 E1430 | I1366-V1368 WeakPolarHBondContact O-CG2 3.1Å; I1366-V1368 PolarHBondContact O-N 3.21Å; V1368-E1430 WeakPolarHBondContact CG2-OE1 2.96Å |
| 1369 | L | 30.8 | Very low | 33.4 | Very low | 88 Ų | 88 | 125 Ų | 125 | 46% | 0.461 | 67% | 0.674 | S | S | . | * | trans | -131.6 | 45.9 | 169.1 | -70.5 | -178.4 | 0 | 0 | 0 | 108.7 | K1367 M1371 Y1423 E1427 | K1367-L1369 PolarHBondContact O-N 2.96Å; L1369-M1371 VanDerWaalsContact C-N 3.26Å; L1369-M1371 PolarHBondContact O-N 3.05Å; L1369-Y1423 HydrophobicContact CD2-CD1 4.01Å; L1369-Y1423 HydrophobicContact CD2-CE1 4.32Å; L1369-E1427 HydrophobicContact CD1-CG 4.29Å; L1369-E1427 VanDerWaalsContact CD1-OE1 3.24Å; L1369-E1427 WeakPolarHBondContact CD1-OE1 3.48Å | ||
| 1370 | D | 28.9 | Very low | 33.3 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -85.2 | 82.4 | 142.9 | -168.7 | -2.7 | 0 | 0 | 0 | 108.3 | S1372 | D1370-S1372 PolarHBondContact OD1-N 3.19Š| ||
| 1371 | M | 34.3 | Very low | 32.9 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | -110.6 | 82.7 | 148.7 | -86.9 | -174.9 | 63.4 | 0 | 0 | 107.2 | L1369 E1373 | L1369-M1371 VanDerWaalsContact C-N 3.26Å; L1369-M1371 PolarHBondContact O-N 3.05Å; M1371-E1373 PolarHBondContact O-N 2.8Å | ||
| 1372 | S | 33.4 | Very low | 32.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -22.6 | 127.6 | 155 | 48.1 | 0 | 0 | 0 | 0 | 115 | D1370 | D1370-S1372 PolarHBondContact OD1-N 3.19Š| ||
| 1373 | E | 30.3 | Very low | 32.7 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 94% | 0.944 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 24.7 | 104.3 | 147.2 | -55.8 | -171 | 144.1 | 0 | 0 | 119.3 | M1371 | M1371-E1373 PolarHBondContact O-N 2.8Š|
| 1374 | G | 29.2 | Very low | 32.8 | Very low | 64 Ų | 64 | 140.4 Ų | 140.4 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | 136.1 | 136.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1375 | Y | 31.8 | Very low | 33 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | 59.8 | 110.4 | 174 | -65.6 | -97.9 | 0 | 0 | 0 | 115.1 | ||||
| 1376 | Y | 33.8 | Very low | 32.8 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | -152.5 | 129.9 | 57.1 | -80.1 | -85.6 | 0 | 0 | 0 | 112.1 | F1378 | Y1376-F1378 HydrophobicContact CD1-CD2 4.47Å; Y1376-F1378 HydrophobicContact CD1-CE2 4.31Å | |||
| 1377 | R | 29 | Very low | 33.1 | Very low | 214 Ų | 214 | 155.1 Ų | 155.1 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -113.9 | 98.1 | 170.9 | -172.7 | -176.9 | -172.7 | 151.2 | 1.8 | 108.3 | E1379 | R1377-E1379 HydrophobicContact CG-CG 4.48Å; R1377-E1379 IonicContact CZ-OE1 3.8Å; R1377-E1379 IonicContact NE-OE1 3.13Å; R1377-E1379 PolarHBondContact NE-OE1 2.79Å; R1377-E1379 IonicContact NH2-OE1 2.64Å | ||
| 1378 | F | 37.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 157 Ų | 157 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | trans | -105.7 | 110.3 | 165.4 | -92.9 | -84 | 0 | 0 | 0 | 108.7 | Y1376 | Y1376-F1378 HydrophobicContact CD1-CD2 4.47Å; Y1376-F1378 HydrophobicContact CD1-CE2 4.31Å | ||
| 1379 | E | 31.4 | Very low | 33.1 | Very low | 140 Ų | 140 | 156.4 Ų | 156.4 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | -83.1 | 120.5 | 169.1 | -63.3 | -179.4 | 168 | 0 | 0 | 108 | R1377 | R1377-E1379 HydrophobicContact CG-CG 4.48Å; R1377-E1379 IonicContact CZ-OE1 3.8Å; R1377-E1379 IonicContact NE-OE1 3.13Å; R1377-E1379 PolarHBondContact NE-OE1 2.79Å; R1377-E1379 IonicContact NH2-OE1 2.64Å | ||
| 1380 | D | 36.7 | Very low | 33.1 | Very low | 147 Ų | 147 | 159.5 Ų | 159.5 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -135.5 | 101.4 | 163.4 | -97.8 | -45.7 | 0 | 0 | 0 | 109.2 | ||||
| 1381 | T | 34.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -106 | 109.5 | 171.2 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | R1383 | T1381-R1383 PolarHBondContact O-N 2.91Š| ||
| 1382 | P | 36.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 158.1 Ų | 158.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -72 | 101.5 | 168.1 | 28.4 | -31 | 0 | 0 | 0 | 108.6 | V1384 | P1382-V1384 PolarHBondContact O-N 2.78Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å | ||
| 1383 | R | 30.9 | Very low | 33.2 | Very low | 238 Ų | 238 | 164 Ų | 164 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 106.4 | 174.2 | -73.1 | 179 | 174.8 | 167.4 | -0.6 | 110.5 | T1381 | T1381-R1383 PolarHBondContact O-N 2.91Š| ||
| 1384 | V | 36.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 161.6 Ų | 161.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -117.9 | 147.1 | 159.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | P1382 | P1382-V1384 PolarHBondContact O-N 2.78Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å | ||
| 1385 | R | 35.6 | Very low | 33.5 | Very low | 248 Ų | 248 | 164.2 Ų | 164.2 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 157.5 | -155.4 | -74.4 | 176.4 | 169 | 168.9 | -4.6 | 115.7 | ||||
| 1386 | R | 31.7 | Very low | 33.5 | Very low | 243 Ų | 243 | 161.6 Ų | 161.6 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 140.9 | 176.6 | -63.4 | 172 | 172 | 163.6 | -5.1 | 113.9 | ||||
| 1387 | S | 36.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 162.7 Ų | 162.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -157.7 | 116.4 | 140.9 | 50.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1388 | I | 34.2 | Very low | 33.6 | Very low | 161 Ų | 161 | 163.9 Ų | 163.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 56.3 | 121.1 | 83.4 | -56.8 | 167.6 | 0 | 0 | 0 | 110.7 | |||||
| 1389 | S | 31 | Very low | 33.4 | Very low | 89 Ų | 89 | 159.7 Ų | 159.7 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | cis | -160.6 | 177.1 | -10 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1390 | D | 31.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 161.4 Ų | 161.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 66.9 | 105 | 162.7 | -54.3 | -53.6 | 0 | 0 | 0 | 120.8 | ||||
| 1391 | A | 34.8 | Very low | 33.1 | Very low | 100 Ų | 100 | 161.5 Ų | 161.5 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | -177.3 | 111.5 | 119 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1392 | L | 32.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 162.5 Ų | 162.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -101.1 | 156.3 | 160.9 | -89.8 | 158.5 | 0 | 0 | 0 | 108.9 | ||||
| 1393 | Y | 30.7 | Very low | 33.5 | Very low | 215 Ų | 215 | 161.9 Ų | 161.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 71 | 124.1 | -167.9 | -62.9 | -104.3 | 0 | 0 | 0 | 112.6 | ||||
| 1394 | H | 36.3 | Very low | 34 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -160.8 | 145.4 | 35.4 | -137.8 | -24.6 | 0 | 0 | 0 | 112.9 | ||||
| 1395 | N | 29.8 | Very low | 33.9 | Very low | 119 Ų | 119 | 156.9 Ų | 156.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | 48.5 | 119.2 | 146.7 | -70.3 | 9.3 | 0 | 0 | 0 | 124.1 | ||||
| 1396 | Q | 31.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 50.8 | 145.8 | 121.7 | -69.1 | -179.6 | -34.4 | 0 | 0 | 122.2 | |||||
| 1397 | Y | 29.4 | Very low | 34.6 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | 74 | 98.7 | -177.6 | -71.5 | -97.8 | 0 | 0 | 0 | 115.3 | ||||
| 1398 | Y | 36 | Very low | 35 | Very low | 238 Ų | 238 | 143.4 Ų | 143.4 | 93% | 0.933 | 73% | 0.733 | S | S | * | * | -164.7 | 163.7 | 113.6 | -109 | -76.4 | 0 | 0 | 0 | 111.6 | |||||
| 1399 | S | 32.7 | Very low | 35.7 | Very low | 88 Ų | 88 | 142 Ų | 142 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -37.9 | 148.1 | -168.1 | -152.7 | 0 | 0 | 0 | 0 | 118.6 | Q1401 | S1399-Q1401 PolarHBondContact O-N 3.4Š| ||
| 1400 | K | 29.4 | Very low | 36.4 | Very low | 177 Ų | 177 | 145 Ų | 145 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -61.6 | 116.2 | 145.8 | -70.2 | -179.1 | 176.8 | -176.9 | 0 | 107.1 | ||||
| 1401 | Q | 31.1 | Very low | 37.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | trans | -105.9 | 138.7 | 159.1 | -76.4 | 178.4 | -74.2 | 0 | 0 | 107.4 | S1399 | S1399-Q1401 PolarHBondContact O-N 3.4Š| ||
| 1402 | D | 35.8 | Very low | 38.5 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -63.5 | 144.5 | 172.5 | -63.6 | -67.9 | 0 | 0 | 0 | 110.3 | D1404 | D1402-D1404 PolarHBondContact O-N 2.9Š| ||
| 1403 | P | 45.2 | Very low | 39.7 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 29.5 | -177.5 | 34.2 | -37.7 | 0 | 0 | 0 | 113.6 | R1421 | P1403-R1421 PolarHBondContact O-NH2 3.26Š|
| 1404 | D | 39.9 | Very low | 41.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 6.1 | -173.1 | -80.3 | -1.7 | 0 | 0 | 0 | 113.5 | D1402 R1421 | D1402-D1404 PolarHBondContact O-N 2.9Å; D1404-R1421 IonicContact OD1-CZ 3.91Å; D1404-R1421 IonicContact OD1-NE 2.77Å; D1404-R1421 IonicContact OD1-NH2 3.27Å; D1404-R1421 PolarHBondContact OD1-NH2 2.81Å |
| 1405 | E | 36 | Very low | 43.6 | Very low | 152 Ų | 152 | 132 Ų | 132 | 71% | 0.71 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -97.7 | 142.9 | 161.8 | -73.5 | -166.8 | 126.2 | 0 | 0 | 111.9 | ||
| 1406 | S | 38.4 | Very low | 45.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | 78.1 | 55.2 | 179.7 | 75.8 | 0 | 0 | 0 | 0 | 118.7 | T1408 | S1406-T1408 PolarHBondContact O-N 2.85Å; S1406-T1408 VanDerWaalsContact O-N 3.13Å | ||
| 1407 | I | 43.6 | Very low | 48 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | trans | -74.3 | 84.2 | 134.9 | -57.6 | 180 | 0 | 0 | 0 | 106.9 | ||||
| 1408 | T | 45.4 | Very low | 50.3 | Low | 65 Ų | 65 | 114.7 Ų | 114.7 | 40% | 0.399 | 64% | 0.639 | S | S | . | * | trans | -73.5 | 150.7 | 161.3 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | S1406 N1410 T1411 | S1406-T1408 PolarHBondContact O-N 2.85Å; S1406-T1408 VanDerWaalsContact O-N 3.13Å; T1408-N1410 PolarHBondContact O-N 3.25Å; T1408-T1411 PolarHBondContact O-N 2.86Å; T1408-T1411 PolarHBondContact OG1-OG1 2.83Å; T1408-T1411 VanDerWaalsContact OG1-OG1 3.11Å | ||
| 1409 | P | 48.9 | Very low | 52.2 | Low | 132 Ų | 132 | 106.7 Ų | 106.7 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -9.1 | -179.3 | -25.8 | 35.2 | 0 | 0 | 0 | 115.5 | ||
| 1410 | N | 45.8 | Very low | 54.6 | Low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 4.6 | -169.5 | -63.4 | -5.5 | 0 | 0 | 0 | 113.9 | T1408 | T1408-N1410 PolarHBondContact O-N 3.25Š|
| 1411 | T | 56.4 | Low | 57 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | trans | -124.3 | 98.1 | -179.6 | -34.6 | 0 | 0 | 0 | 0 | 111 | T1408 P1413 | T1408-T1411 PolarHBondContact O-N 2.86Å; T1408-T1411 PolarHBondContact OG1-OG1 2.83Å; T1408-T1411 VanDerWaalsContact OG1-OG1 3.11Å; T1411-P1413 WeakPolarHBondContact O-CD 3.01Å | ||
| 1412 | I | 52.4 | Low | 59.4 | Low | 163 Ų | 163 | 105.1 Ų | 105.1 | 84% | 0.836 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.6 | 174.7 | -56.9 | 175 | 0 | 0 | 0 | 108 | ||
| 1413 | P | 59.5 | Low | 61.7 | Low | 64 Ų | 64 | 103 Ų | 103 | 42% | 0.416 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 136.9 | 177.7 | 27.9 | -33.7 | 0 | 0 | 0 | 109.8 | T1411 V1418 | T1411-P1413 WeakPolarHBondContact O-CD 3.01Å; P1413-V1418 HydrophobicContact CB-CG2 3.94Å; P1413-V1418 HydrophobicContact CG-CG2 3.74Å |
| 1414 | S | 75.4 | Confident | 63.7 | Low | 83 Ų | 83 | 100.4 Ų | 100.4 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143.4 | -179.8 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | G1416 A1417 V1418 | S1414-G1416 PolarHBondContact O-N 3.44Å; S1414-G1416 VanDerWaalsContact O-N 3.1Å; S1414-A1417 WeakPolarHBondContact O-CA 3.24Å; S1414-A1417 WeakPolarHBondContact O-CB 3.28Å; S1414-A1417 PolarHBondContact O-N 2.85Å; S1414-V1418 PolarHBondContact O-N 2.81Å; S1414-V1418 VanDerWaalsContact O-N 3.17Å |
| 1415 | V | 72.8 | Confident | 65.9 | Low | 109 Ų | 109 | 103.8 Ų | 103.8 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -54 | -38 | -174.9 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | A1417 V1418 L1419 | V1415-A1417 VanDerWaalsContact C-N 3.34Å; V1415-A1417 PolarHBondContact O-N 2.83Å; V1415-V1418 PolarHBondContact O-N 2.87Å; V1415-L1419 HydrophobicContact CG1-CD1 3.96Å; V1415-L1419 HydrophobicContact CG1-CG 4.36Å; V1415-L1419 WeakPolarHBondContact O-CB 3.46Å; V1415-L1419 WeakPolarHBondContact O-CG 3.22Å; V1415-L1419 PolarHBondContact O-N 2.82Å |
| 1416 | G | 78.1 | Confident | 68.4 | Low | 36 Ų | 36 | 100.8 Ų | 100.8 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.3 | -17.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | S1414 R1420 | S1414-G1416 PolarHBondContact O-N 3.44Å; S1414-G1416 VanDerWaalsContact O-N 3.1Å; G1416-R1420 PolarHBondContact O-N 3.44Å; G1416-R1420 PolarHBondContact O-NE 2.73Å |
| 1417 | A | 75.1 | Confident | 70.7 | Confident | 38 Ų | 38 | 98 Ų | 98 | 31% | 0.314 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -82 | -40.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | S1414 V1415 R1420 R1421 | S1414-A1417 WeakPolarHBondContact O-CA 3.24Å; S1414-A1417 WeakPolarHBondContact O-CB 3.28Å; S1414-A1417 PolarHBondContact O-N 2.85Å; V1415-A1417 VanDerWaalsContact C-N 3.34Å; V1415-A1417 PolarHBondContact O-N 2.83Å; A1417-R1420 PolarHBondContact O-N 2.84Å; A1417-R1421 PolarHBondContact O-N 2.96Å; A1417-R1421 VanDerWaalsContact O-N 3.14Å |
| 1418 | V | 78 | Confident | 72.9 | Confident | 60 Ų | 60 | 94.7 Ų | 94.7 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 174 | -178 | 0 | 0 | 0 | 0 | 110.6 | P1413 S1414 V1415 R1420 R1421 I1422 | P1413-V1418 HydrophobicContact CB-CG2 3.94Å; P1413-V1418 HydrophobicContact CG-CG2 3.74Å; S1414-V1418 PolarHBondContact O-N 2.81Å; S1414-V1418 VanDerWaalsContact O-N 3.17Å; V1415-V1418 PolarHBondContact O-N 2.87Å; V1418-R1420 VanDerWaalsContact C-N 3.35Å; V1418-R1420 PolarHBondContact O-N 3.2Å; V1418-R1421 WeakPolarHBondContact O-CB 3.32Å; V1418-R1421 PolarHBondContact O-N 2.85Å; V1418-R1421 VanDerWaalsContact O-N 3.15Å; V1418-I1422 HydrophobicContact CG1-CD1 3.96Å; V1418-I1422 WeakPolarHBondContact O-CG1 3.2Å; V1418-I1422 PolarHBondContact O-N 2.82Å |
| 1419 | L | 76.5 | Confident | 74.8 | Confident | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.366 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 177.1 | -76.6 | 169.9 | 0 | 0 | 0 | 112.6 | V1415 R1421 I1422 Y1423 | V1415-L1419 HydrophobicContact CG1-CD1 3.96Å; V1415-L1419 HydrophobicContact CG1-CG 4.36Å; V1415-L1419 WeakPolarHBondContact O-CB 3.46Å; V1415-L1419 WeakPolarHBondContact O-CG 3.22Å; V1415-L1419 PolarHBondContact O-N 2.82Å; L1419-R1421 PolarHBondContact O-N 3.41Å; L1419-I1422 PolarHBondContact O-N 2.91Å; L1419-I1422 VanDerWaalsContact O-N 3.16Å; L1419-Y1423 HydrophobicContact CB-CD2 4.48Å; L1419-Y1423 HydrophobicContact CB-CE2 4.34Å; L1419-Y1423 HydrophobicContact CD2-CE2 4.42Å; L1419-Y1423 WeakPolarHBondContact O-CD2 3.46Å; L1419-Y1423 PolarHBondContact O-N 3.05Å |
| 1420 | R | 82.6 | Confident | 76.7 | Confident | 189 Ų | 189 | 93.2 Ų | 93.2 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 175.6 | -85.5 | -174.2 | -80.2 | -176.2 | -7.5 | 113.2 | G1416 A1417 V1418 I1422 A1424 | G1416-R1420 PolarHBondContact O-N 3.44Å; G1416-R1420 PolarHBondContact O-NE 2.73Å; A1417-R1420 PolarHBondContact O-N 2.84Å; V1418-R1420 VanDerWaalsContact C-N 3.35Å; V1418-R1420 PolarHBondContact O-N 3.2Å; R1420-I1422 VanDerWaalsContact C-N 3.33Å; R1420-A1424 WeakPolarHBondContact O-CB 3.3Å; R1420-A1424 PolarHBondContact O-N 2.99Å |
| 1421 | R | 79.2 | Confident | 78.4 | Confident | 111 Ų | 111 | 88.9 Ų | 88.9 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | 171 | -86.7 | -179.7 | 165.1 | 145.1 | -1.6 | 112.2 | P1403 D1404 A1417 V1418 L1419 R1425 | P1403-R1421 PolarHBondContact O-NH2 3.26Å; D1404-R1421 IonicContact OD1-CZ 3.91Å; D1404-R1421 IonicContact OD1-NE 2.77Å; D1404-R1421 IonicContact OD1-NH2 3.27Å; D1404-R1421 PolarHBondContact OD1-NH2 2.81Å; A1417-R1421 PolarHBondContact O-N 2.96Å; A1417-R1421 VanDerWaalsContact O-N 3.14Å; V1418-R1421 WeakPolarHBondContact O-CB 3.32Å; V1418-R1421 PolarHBondContact O-N 2.85Å; V1418-R1421 VanDerWaalsContact O-N 3.15Å; L1419-R1421 PolarHBondContact O-N 3.41Å; R1421-R1425 WeakPolarHBondContact O-CG 3.37Å; R1421-R1425 PolarHBondContact O-N 3.43Å |
| 1422 | I | 81.5 | Confident | 79.7 | Confident | 81 Ų | 81 | 87.3 Ų | 87.3 | 42% | 0.415 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.6 | -52.6 | 176 | -67.9 | 166.9 | 0 | 0 | 0 | 110.6 | V1418 L1419 R1420 A1424 R1425 I1426 | V1418-I1422 HydrophobicContact CG1-CD1 3.96Å; V1418-I1422 WeakPolarHBondContact O-CG1 3.2Å; V1418-I1422 PolarHBondContact O-N 2.82Å; L1419-I1422 PolarHBondContact O-N 2.91Å; L1419-I1422 VanDerWaalsContact O-N 3.16Å; R1420-I1422 VanDerWaalsContact C-N 3.33Å; I1422-A1424 PolarHBondContact O-N 2.81Å; I1422-R1425 WeakPolarHBondContact O-CB 3.25Å; I1422-R1425 PolarHBondContact O-N 2.98Å; I1422-I1426 HydrophobicContact CG2-CD1 3.85Å; I1422-I1426 HydrophobicContact CG2-CG1 4.46Å; I1422-I1426 WeakPolarHBondContact O-CG1 3.3Å; I1422-I1426 PolarHBondContact O-N 3.03Å |
| 1423 | Y | 85.6 | Confident | 81.3 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 179.8 | -72.3 | -60.4 | 0 | 0 | 0 | 112.7 | L1369 L1419 R1425 I1426 E1427 | L1369-Y1423 HydrophobicContact CD2-CD1 4.01Å; L1369-Y1423 HydrophobicContact CD2-CE1 4.32Å; L1419-Y1423 HydrophobicContact CB-CD2 4.48Å; L1419-Y1423 HydrophobicContact CB-CE2 4.34Å; L1419-Y1423 HydrophobicContact CD2-CE2 4.42Å; L1419-Y1423 WeakPolarHBondContact O-CD2 3.46Å; L1419-Y1423 PolarHBondContact O-N 3.05Å; Y1423-R1425 PolarHBondContact O-N 3.19Å; Y1423-I1426 HydrophobicContact CD1-CD1 4.3Å; Y1423-I1426 PolarHBondContact O-N 3.2Å; Y1423-I1426 VanDerWaalsContact O-N 3.07Å; Y1423-E1427 WeakPolarHBondContact O-CG 3.42Å; Y1423-E1427 PolarHBondContact O-N 2.87Å |
| 1424 | A | 86.2 | Confident | 82.5 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1420 I1422 S1428 | R1420-A1424 WeakPolarHBondContact O-CB 3.3Å; R1420-A1424 PolarHBondContact O-N 2.99Å; I1422-A1424 PolarHBondContact O-N 2.81Å; A1424-S1428 WeakPolarHBondContact O-CB 3.08Å; A1424-S1428 PolarHBondContact O-N 3.41Å; A1424-S1428 VanDerWaalsContact O-N 3.13Å |
| 1425 | R | 86.3 | Confident | 82.9 | Confident | 193 Ų | 193 | 81.7 Ų | 81.7 | 73% | 0.728 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.6 | -35.6 | 172.5 | -76.5 | 177.2 | 175.3 | -171.8 | -1.6 | 112.5 | R1421 I1422 Y1423 S1428 L1429 | R1421-R1425 WeakPolarHBondContact O-CG 3.37Å; R1421-R1425 PolarHBondContact O-N 3.43Å; I1422-R1425 WeakPolarHBondContact O-CB 3.25Å; I1422-R1425 PolarHBondContact O-N 2.98Å; Y1423-R1425 PolarHBondContact O-N 3.19Å; R1425-S1428 PolarHBondContact O-N 2.94Å; R1425-L1429 WeakPolarHBondContact O-CB 3.35Å; R1425-L1429 PolarHBondContact O-N 3Å |
| 1426 | I | 87.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 46% | 0.456 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 174.7 | -66.6 | 168.2 | 0 | 0 | 0 | 110.3 | I1422 Y1423 S1428 L1429 E1430 | I1422-I1426 HydrophobicContact CG2-CD1 3.85Å; I1422-I1426 HydrophobicContact CG2-CG1 4.46Å; I1422-I1426 WeakPolarHBondContact O-CG1 3.3Å; I1422-I1426 PolarHBondContact O-N 3.03Å; Y1423-I1426 HydrophobicContact CD1-CD1 4.3Å; Y1423-I1426 PolarHBondContact O-N 3.2Å; Y1423-I1426 VanDerWaalsContact O-N 3.07Å; I1426-S1428 VanDerWaalsContact C-N 3.3Å; I1426-S1428 PolarHBondContact O-N 2.87Å; I1426-L1429 WeakPolarHBondContact O-CB 3.23Å; I1426-L1429 PolarHBondContact O-N 2.97Å; I1426-L1429 VanDerWaalsContact O-N 3.1Å; I1426-E1430 WeakPolarHBondContact O-CB 3.43Å; I1426-E1430 PolarHBondContact O-N 3.01Å |
| 1427 | E | 87.7 | Confident | 83.6 | Confident | 43 Ų | 43 | 90.1 Ų | 90.1 | 20% | 0.201 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 175.5 | -66 | 177.4 | 142.1 | 0 | 0 | 112.1 | K1367 L1369 Y1423 L1429 A1431 | K1367-E1427 VanDerWaalsContact CD-OE1 3.25Å; K1367-E1427 WeakPolarHBondContact CD-OE1 3.21Å; K1367-E1427 WeakPolarHBondContact CE-OE1 3.47Å; K1367-E1427 WeakPolarHBondContact CE-OE2 3.22Å; K1367-E1427 IonicContact NZ-OE1 3.46Å; K1367-E1427 PolarHBondContact NZ-OE1 3.47Å; K1367-E1427 IonicContact NZ-OE2 3.38Å; K1367-E1427 PolarHBondContact NZ-OE2 3.3Å; L1369-E1427 HydrophobicContact CD1-CG 4.29Å; L1369-E1427 VanDerWaalsContact CD1-OE1 3.24Å; L1369-E1427 WeakPolarHBondContact CD1-OE1 3.48Å; Y1423-E1427 WeakPolarHBondContact O-CG 3.42Å; Y1423-E1427 PolarHBondContact O-N 2.87Å; E1427-L1429 VanDerWaalsContact C-N 3.35Å; E1427-A1431 WeakPolarHBondContact O-CB 3.27Å; E1427-A1431 PolarHBondContact O-N 3.38Å |
| 1428 | S | 89 | Confident | 84.2 | Confident | 75 Ų | 75 | 94 Ų | 94 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | A1424 R1425 I1426 S1432 | A1424-S1428 WeakPolarHBondContact O-CB 3.08Å; A1424-S1428 PolarHBondContact O-N 3.41Å; A1424-S1428 VanDerWaalsContact O-N 3.13Å; R1425-S1428 PolarHBondContact O-N 2.94Å; I1426-S1428 VanDerWaalsContact C-N 3.3Å; I1426-S1428 PolarHBondContact O-N 2.87Å; S1428-S1432 PolarHBondContact O-N 3.26Å; S1428-S1432 VanDerWaalsContact O-N 3.09Å |
| 1429 | L | 86.6 | Confident | 84.7 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70 | -44.1 | 177 | -176.3 | 65.4 | 0 | 0 | 0 | 110.8 | R1425 I1426 E1427 A1431 S1432 M1433 | R1425-L1429 WeakPolarHBondContact O-CB 3.35Å; R1425-L1429 PolarHBondContact O-N 3Å; I1426-L1429 WeakPolarHBondContact O-CB 3.23Å; I1426-L1429 PolarHBondContact O-N 2.97Å; I1426-L1429 VanDerWaalsContact O-N 3.1Å; E1427-L1429 VanDerWaalsContact C-N 3.35Å; L1429-A1431 VanDerWaalsContact C-N 3.35Å; L1429-A1431 PolarHBondContact O-N 3.13Å; L1429-S1432 PolarHBondContact O-N 3.46Å; L1429-M1433 HydrophobicContact CG-SD 4.21Å; L1429-M1433 WeakPolarHBondContact O-CB 3.14Å; L1429-M1433 WeakPolarHBondContact O-CG 3.3Å; L1429-M1433 PolarHBondContact O-N 3.41Å |
| 1430 | E | 87.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 28% | 0.276 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.2 | -176.7 | 176.5 | -149.4 | 0 | 0 | 111.6 | V1368 I1426 M1433 N1434 | V1368-E1430 WeakPolarHBondContact CG2-OE1 2.96Å; I1426-E1430 WeakPolarHBondContact O-CB 3.43Å; I1426-E1430 PolarHBondContact O-N 3.01Å; E1430-M1433 PolarHBondContact O-N 2.82Å; E1430-N1434 WeakPolarHBondContact O-CB 3.39Å; E1430-N1434 PolarHBondContact O-N 2.61Å; E1430-N1434 PolarHBondContact O-ND2 2.91Å |
| 1431 | A | 82.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 85.9 Ų | 85.9 | 49% | 0.488 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1427 L1429 S1435 | E1427-A1431 WeakPolarHBondContact O-CB 3.27Å; E1427-A1431 PolarHBondContact O-N 3.38Å; L1429-A1431 VanDerWaalsContact C-N 3.35Å; L1429-A1431 PolarHBondContact O-N 3.13Å; A1431-S1435 PolarHBondContact O-N 2.92Å |
| 1432 | S | 83.6 | Confident | 86.2 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 173.6 | -82.1 | 0 | 0 | 0 | 0 | 111.8 | S1428 L1429 N1434 S1435 F1436 | S1428-S1432 PolarHBondContact O-N 3.26Å; S1428-S1432 VanDerWaalsContact O-N 3.09Å; L1429-S1432 PolarHBondContact O-N 3.46Å; S1432-N1434 PolarHBondContact O-N 3.2Å; S1432-S1435 PolarHBondContact O-N 3.05Å; S1432-S1435 PolarHBondContact O-OG 3.07Å; S1432-F1436 VanDerWaalsContact O-CD2 3.27Å; S1432-F1436 WeakPolarHBondContact O-CD2 3.05Å; S1432-F1436 PolarHBondContact O-N 3.14Å |
| 1433 | M | 85 | Confident | 86.7 | Confident | 120 Ų | 120 | 83.7 Ų | 83.7 | 59% | 0.591 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 178.3 | -72.6 | 180 | 67.1 | 0 | 0 | 111.6 | L1429 E1430 S1435 F1436 E1437 | L1429-M1433 HydrophobicContact CG-SD 4.21Å; L1429-M1433 WeakPolarHBondContact O-CB 3.14Å; L1429-M1433 WeakPolarHBondContact O-CG 3.3Å; L1429-M1433 PolarHBondContact O-N 3.41Å; E1430-M1433 PolarHBondContact O-N 2.82Å; M1433-S1435 PolarHBondContact O-N 2.92Å; M1433-F1436 PolarHBondContact O-N 2.84Å; M1433-F1436 VanDerWaalsContact O-N 3.07Å; M1433-E1437 PolarHBondContact O-N 3.07Å |
| 1434 | N | 84.7 | Confident | 86.7 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.5 | -34.3 | 172.8 | -94.5 | -53.2 | 0 | 0 | 0 | 112.4 | E1430 S1432 E1437 R1438 | E1430-N1434 WeakPolarHBondContact O-CB 3.39Å; E1430-N1434 PolarHBondContact O-N 2.61Å; E1430-N1434 PolarHBondContact O-ND2 2.91Å; S1432-N1434 PolarHBondContact O-N 3.2Å; N1434-E1437 PolarHBondContact O-N 2.78Å; N1434-R1438 WeakPolarHBondContact O-CA 3.43Å; N1434-R1438 WeakPolarHBondContact O-CB 3.38Å; N1434-R1438 PolarHBondContact O-N 3.39Å |
| 1435 | S | 83.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 85.4 Ų | 85.4 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -74.3 | -21.1 | 177.3 | 70.7 | 0 | 0 | 0 | 0 | 115.1 | A1431 S1432 M1433 P1439 N1445 | A1431-S1435 PolarHBondContact O-N 2.92Å; S1432-S1435 PolarHBondContact O-N 3.05Å; S1432-S1435 PolarHBondContact O-OG 3.07Å; M1433-S1435 PolarHBondContact O-N 2.92Å; S1435-P1439 WeakPolarHBondContact O-CA 3.44Å; S1435-N1445 VanDerWaalsContact CB-ND2 3.26Å; S1435-N1445 WeakPolarHBondContact CB-ND2 3.26Å; S1435-N1445 PolarHBondContact OG-ND2 3.25Å |
| 1436 | F | 81.5 | Confident | 87.2 | Confident | 168 Ų | 168 | 77.2 Ų | 77.2 | 74% | 0.737 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -81.2 | -37.6 | 168.9 | -75.4 | -71.1 | 0 | 0 | 0 | 112 | S1432 M1433 | S1432-F1436 VanDerWaalsContact O-CD2 3.27Å; S1432-F1436 WeakPolarHBondContact O-CD2 3.05Å; S1432-F1436 PolarHBondContact O-N 3.14Å; M1433-F1436 PolarHBondContact O-N 2.84Å; M1433-F1436 VanDerWaalsContact O-N 3.07Å |
| 1437 | E | 84.1 | Confident | 87.5 | Confident | 154 Ų | 154 | 73 Ų | 73 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -75.4 | -34.2 | 177.9 | -171.8 | 171.9 | 179.4 | 0 | 0 | 112.5 | M1433 N1434 | M1433-E1437 PolarHBondContact O-N 3.07Å; N1434-E1437 PolarHBondContact O-N 2.78Å |
| 1438 | R | 88.1 | Confident | 87.7 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -128.2 | 73.6 | 179.9 | -68.3 | -173.6 | 168.2 | -159.1 | -6.2 | 111 | N1434 M1440 A1456 | N1434-R1438 WeakPolarHBondContact O-CA 3.43Å; N1434-R1438 WeakPolarHBondContact O-CB 3.38Å; N1434-R1438 PolarHBondContact O-N 3.39Å; R1438-M1440 PolarHBondContact O-N 3.3Å; R1438-A1456 HydrophobicContact CB-CB 3.89Å; R1438-A1456 HydrophobicContact CG-CB 4.11Å |
| 1439 | P | 88.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 71 Ų | 71 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | trans | -66.6 | 123 | -178.7 | 27.4 | -34.8 | 0 | 0 | 0 | 111.2 | S1435 G1441 A1447 D1452 | S1435-P1439 WeakPolarHBondContact O-CA 3.44Å; P1439-G1441 PolarHBondContact O-N 3.35Å; P1439-A1447 HydrophobicContact CB-CB 3.99Å; P1439-A1447 HydrophobicContact CG-CB 3.86Å; P1439-D1452 HydrophobicContact CG-CB 4.35Å | ||
| 1440 | M | 87.3 | Confident | 88.3 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | trans | -74 | -7.4 | -179.3 | -64.5 | -163.7 | -61.8 | 0 | 0 | 114 | R1438 T1442 | R1438-M1440 PolarHBondContact O-N 3.3Å; M1440-T1442 HydrophobicContact CB-CG2 4.12Å; M1440-T1442 HydrophobicContact CE-CG2 4.28Å | ||
| 1441 | G | 91.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | trans | 71.1 | 33.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1439 N1445 W1469 | P1439-G1441 PolarHBondContact O-N 3.35Å; G1441-N1445 PolarHBondContact N-O 3.17Å; G1441-N1445 VanDerWaalsContact N-O 3.16Å; G1441-W1469 WeakPolarHBondContact CA-O 3.26Å; G1441-W1469 PolarHBondContact O-N 2.82Å | ||
| 1442 | T | 92 | Very high | 88.9 | Confident | 44 Ų | 44 | 68 Ų | 68 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | trans | -93.3 | 166.6 | 171.5 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | M1440 Q1444 N1445 P1446 W1469 | M1440-T1442 HydrophobicContact CB-CG2 4.12Å; M1440-T1442 HydrophobicContact CE-CG2 4.28Å; T1442-Q1444 PolarHBondContact O-N 3.33Å; T1442-N1445 PolarHBondContact N-O 3.5Å; T1442-N1445 CarbonylContact O-C 3.46Å; T1442-N1445 PolarHBondContact O-N 3.01Å; T1442-N1445 PolarHBondContact OG1-N 3.45Å; T1442-P1446 VanDerWaalsContact O-CA 3.29Å; T1442-P1446 WeakPolarHBondContact O-CA 3.42Å; T1442-W1469 WeakPolarHBondContact O-CB 3.36Å | ||
| 1443 | Q | 90.1 | Very high | 89.3 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -62.8 | -30 | 179.3 | -167.1 | 177.9 | 12.6 | 0 | 0 | 112.8 | W1469 | Q1443-W1469 HydrophobicContact CB-CD2 3.79Å; Q1443-W1469 HydrophobicContact CB-CE3 4.31Å; Q1443-W1469 HydrophobicContact CB-CG 4.01Å; Q1443-W1469 HydrophobicContact CB-CZ2 4.19Å; Q1443-W1469 HydrophobicContact CG-CD2 3.88Å; Q1443-W1469 HydrophobicContact CG-CE3 3.88Å; Q1443-W1469 HydrophobicContact CG-CH2 4.01Å; Q1443-W1469 HydrophobicContact CG-CZ2 4Å; Q1443-W1469 HydrophobicContact CG-CZ3 3.95Å |
| 1444 | Q | 86.1 | Confident | 89.5 | Confident | 138 Ų | 138 | 61.3 Ų | 61.3 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -78.4 | -37.3 | 177.1 | -62.3 | 76.5 | 21 | 0 | 0 | 112.1 | T1442 P1446 | T1442-Q1444 PolarHBondContact O-N 3.33Å; Q1444-P1446 VanDerWaalsContact C-CD 3.47Å; Q1444-P1446 WeakPolarHBondContact O-CD 3.38Å |
| 1445 | N | 90 | Very high | 89.7 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -126.8 | 72.5 | 179.7 | -66.3 | -35.6 | 0 | 0 | 0 | 109.5 | S1435 G1441 T1442 | S1435-N1445 VanDerWaalsContact CB-ND2 3.26Å; S1435-N1445 WeakPolarHBondContact CB-ND2 3.26Å; S1435-N1445 PolarHBondContact OG-ND2 3.25Å; G1441-N1445 PolarHBondContact N-O 3.17Å; G1441-N1445 VanDerWaalsContact N-O 3.16Å; T1442-N1445 PolarHBondContact N-O 3.5Å; T1442-N1445 CarbonylContact O-C 3.46Å; T1442-N1445 PolarHBondContact O-N 3.01Å; T1442-N1445 PolarHBondContact OG1-N 3.45Å |
| 1446 | P | 93.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | trans | -69.6 | 149.1 | 177.3 | 29.9 | -34.8 | 0 | 0 | 0 | 110.2 | T1442 Q1444 W1469 D1471 P1477 A1480 | T1442-P1446 VanDerWaalsContact O-CA 3.29Å; T1442-P1446 WeakPolarHBondContact O-CA 3.42Å; Q1444-P1446 VanDerWaalsContact C-CD 3.47Å; Q1444-P1446 WeakPolarHBondContact O-CD 3.38Å; P1446-W1469 HydrophobicContact CB-CB 4.26Å; P1446-D1471 HydrophobicContact CB-CB 3.86Å; P1446-D1471 HydrophobicContact CG-CB 3.69Å; P1446-P1477 HydrophobicContact CG-CB 3.71Å; P1446-A1480 HydrophobicContact CB-CB 3.89Å; P1446-A1480 HydrophobicContact CG-CB 3.92Å | ||
| 1447 | A | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 163.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1439 D1452 I1453 W1469 I1470 D1471 | P1439-A1447 HydrophobicContact CB-CB 3.99Å; P1439-A1447 HydrophobicContact CG-CB 3.86Å; A1447-D1452 HydrophobicContact CB-CB 4.2Å; A1447-I1453 HydrophobicContact CB-CD1 3.91Å; A1447-I1453 HydrophobicContact CB-CG1 3.27Å; A1447-W1469 PolarHBondContact N-O 3.07Å; A1447-I1470 CarbonylContact O-C 3.59Å; A1447-I1470 WeakPolarHBondContact O-CA 3.37Å; A1447-I1470 VanDerWaalsContact O-CB 3.25Å; A1447-I1470 WeakPolarHBondContact O-CB 3.4Å; A1447-D1471 PolarHBondContact O-N 3.26Å |
| 1448 | R | 92.4 | Very high | 89.7 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.4 | -40.7 | 177.3 | -160 | -175 | -167.2 | 160.1 | 7.8 | 111.6 | L325 N326 D1452 D1471 P1472 L1474 L1560 | L325-R1448 PolarHBondContact O-NH2 3.19Å; N326-R1448 PolarHBondContact OD1-NH2 3.05Å; R1448-D1452 WeakPolarHBondContact CA-OD2 3.43Å; R1448-D1452 WeakPolarHBondContact CB-OD2 3.4Å; R1448-D1452 PolarHBondContact N-OD2 2.87Å; R1448-D1471 WeakPolarHBondContact CA-O 3.47Å; R1448-P1472 PolarHBondContact NE-O 3.19Å; R1448-P1472 VanDerWaalsContact O-CA 3.31Å; R1448-P1472 WeakPolarHBondContact O-CA 3.46Å; R1448-P1472 WeakPolarHBondContact O-CB 3.47Å; R1448-L1474 HydrophobicContact CB-CD2 4.11Å; R1448-L1474 HydrophobicContact CG-CD1 4.12Å; R1448-L1474 HydrophobicContact CG-CD2 4.03Å; R1448-L1474 HydrophobicContact CG-CG 4.05Å; R1448-L1560 HydrophobicContact CG-CD1 3.76Å |
| 1449 | H | 93.7 | Very high | 89.3 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -155 | 169.3 | 175.3 | 57.3 | 5.3 | 0 | 0 | 0 | 111.1 | R1451 D1452 L1557 H1561 | H1449-R1451 PolarHBondContact O-N 3.25Å; H1449-D1452 VanDerWaalsContact CE1-CG 3.43Å; H1449-D1452 IonicContact CE1-OD1 3.64Å; H1449-D1452 PolarHBondContact CE1-OD1 3.18Å; H1449-D1452 IonicContact CE1-OD2 2.75Å; H1449-D1452 PolarHBondContact CE1-OD2 3.24Å; H1449-D1452 IonicContact CG-OD2 2.79Å; H1449-D1452 PolarHBondContact N-OD2 3.38Å; H1449-D1452 PolarHBondContact ND1-N 3.36Å; H1449-D1452 IonicContact ND1-OD1 2.68Å; H1449-D1452 PolarHBondContact ND1-OD1 3.46Å; H1449-D1452 IonicContact ND1-OD2 2.7Å; H1449-D1452 PolarHBondContact ND1-OD2 3.4Å; H1449-D1452 PolarHBondContact O-N 2.78Å; H1449-L1557 HydrophobicContact CB-CD2 4.19Å; H1449-H1561 AromaticContact CD2-CE1 3.6Å; H1449-H1561 AromaticContact CD2-NE2 3.68Å |
| 1450 | C | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -26.6 | -176.7 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | I1453 F1454 C1485 F1487 T1496 | C1450-I1453 PolarHBondContact O-N 3.48Å; C1450-F1454 PolarHBondContact O-N 2.91Å; C1450-F1454 VanDerWaalsContact O-N 3.14Å; C1450-C1485 VanDerWaalsContact CA-SG 3.57Å; C1450-C1485 HydrophobicContact CB-CB 3.57Å; C1450-C1485 WeakPolarHBondContact CB-SG 3.48Å; C1450-C1485 WeakPolarHBondContact SG-CA 3.1Å; C1450-C1485 WeakPolarHBondContact SG-CB 3.47Å; C1450-C1485 CovalentContact SG-SG 2.03Å; C1450-C1485 PolarHBondContact SG-SG 2.04Å; C1450-F1487 HydrophobicContact CB-CE1 4.39Å; C1450-F1487 WeakPolarHBondContact O-CE1 3.47Å; C1450-T1496 WeakPolarHBondContact CB-OG1 3.46Å; C1450-T1496 PolarHBondContact N-OG1 3.3Å |
| 1451 | R | 91.4 | Very high | 87.9 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -30.9 | 177 | -178.1 | 174.1 | 177.7 | 140.4 | 11.8 | 113.5 | H1449 F1454 E1455 A1494 | H1449-R1451 PolarHBondContact O-N 3.25Å; R1451-F1454 WeakPolarHBondContact O-CB 3.26Å; R1451-F1454 PolarHBondContact O-N 3.01Å; R1451-E1455 HydrophobicContact CG-CG 4.37Å; R1451-E1455 IonicContact CZ-OE1 2.84Å; R1451-E1455 VanDerWaalsContact CZ-OE1 3.25Å; R1451-E1455 IonicContact NE-OE1 3.22Å; R1451-E1455 PolarHBondContact NE-OE1 3.43Å; R1451-E1455 IonicContact NH2-OE1 3.66Å; R1451-E1455 PolarHBondContact NH2-OE1 3.26Å; R1451-E1455 WeakPolarHBondContact O-CG 3.34Å; R1451-E1455 PolarHBondContact O-N 3.29Å; R1451-A1494 HydrophobicContact CB-CB 4.04Å |
| 1452 | D | 91.2 | Very high | 87 | Confident | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 175.3 | -46 | -57.3 | 0 | 0 | 0 | 110.7 | P1439 A1447 R1448 H1449 F1454 E1455 A1456 | P1439-D1452 HydrophobicContact CG-CB 4.35Å; A1447-D1452 HydrophobicContact CB-CB 4.2Å; R1448-D1452 WeakPolarHBondContact CA-OD2 3.43Å; R1448-D1452 WeakPolarHBondContact CB-OD2 3.4Å; R1448-D1452 PolarHBondContact N-OD2 2.87Å; H1449-D1452 VanDerWaalsContact CE1-CG 3.43Å; H1449-D1452 IonicContact CE1-OD1 3.64Å; H1449-D1452 PolarHBondContact CE1-OD1 3.18Å; H1449-D1452 IonicContact CE1-OD2 2.75Å; H1449-D1452 PolarHBondContact CE1-OD2 3.24Å; H1449-D1452 IonicContact CG-OD2 2.79Å; H1449-D1452 PolarHBondContact N-OD2 3.38Å; H1449-D1452 PolarHBondContact ND1-N 3.36Å; H1449-D1452 IonicContact ND1-OD1 2.68Å; H1449-D1452 PolarHBondContact ND1-OD1 3.46Å; H1449-D1452 IonicContact ND1-OD2 2.7Å; H1449-D1452 PolarHBondContact ND1-OD2 3.4Å; H1449-D1452 PolarHBondContact O-N 2.78Å; D1452-F1454 PolarHBondContact O-N 3.35Å; D1452-E1455 PolarHBondContact O-N 2.72Å; D1452-A1456 WeakPolarHBondContact O-CB 3.07Å; D1452-A1456 PolarHBondContact O-N 3.4Å |
| 1453 | I | 91.8 | Very high | 86.5 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.7 | -52.8 | 175.6 | 0 | 0 | 0 | 109.6 | A1447 C1450 A1457 Y1468 I1470 | A1447-I1453 HydrophobicContact CB-CD1 3.91Å; A1447-I1453 HydrophobicContact CB-CG1 3.27Å; C1450-I1453 PolarHBondContact O-N 3.48Å; I1453-A1457 WeakPolarHBondContact O-CB 3.42Å; I1453-A1457 PolarHBondContact O-N 3.33Å; I1453-Y1468 HydrophobicContact CD1-CD1 3.75Å; I1453-Y1468 HydrophobicContact CD1-CD2 4.46Å; I1453-Y1468 HydrophobicContact CD1-CG 3.67Å; I1453-Y1468 HydrophobicContact CG2-CD1 4.01Å; I1453-Y1468 HydrophobicContact CG2-CE1 3.82Å; I1453-I1470 HydrophobicContact CD1-CG2 4.42Å |
| 1454 | F | 89.7 | Confident | 86.3 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 176.3 | 178.4 | -99.2 | 0 | 0 | 0 | 113 | C1450 R1451 D1452 A1457 P1460 F1487 G1491 A1494 | C1450-F1454 PolarHBondContact O-N 2.91Å; C1450-F1454 VanDerWaalsContact O-N 3.14Å; R1451-F1454 WeakPolarHBondContact O-CB 3.26Å; R1451-F1454 PolarHBondContact O-N 3.01Å; D1452-F1454 PolarHBondContact O-N 3.35Å; F1454-A1457 WeakPolarHBondContact O-CB 3.41Å; F1454-A1457 PolarHBondContact O-N 3.33Å; F1454-P1460 HydrophobicContact CD2-CB 4.15Å; F1454-P1460 HydrophobicContact CE1-CB 3.93Å; F1454-P1460 HydrophobicContact CE2-CB 3.36Å; F1454-P1460 VanDerWaalsContact CE2-O 3.24Å; F1454-P1460 WeakPolarHBondContact CE2-O 3.42Å; F1454-P1460 HydrophobicContact CZ-CB 3.23Å; F1454-P1460 HydrophobicContact CZ-CG 4.47Å; F1454-F1487 HydrophobicContact CB-CD1 4.04Å; F1454-F1487 HydrophobicContact CB-CE1 3.76Å; F1454-F1487 AromaticContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CE1 4.42Å; F1454-F1487 HydrophobicContact CD2-CG 4.37Å; F1454-F1487 HydrophobicContact CG-CD1 4.31Å; F1454-F1487 HydrophobicContact CG-CE1 4.5Å; F1454-G1491 WeakPolarHBondContact CE1-O 3.39Å; F1454-G1491 WeakPolarHBondContact CE2-O 3.12Å; F1454-G1491 WeakPolarHBondContact CZ-O 3.4Å; F1454-A1494 HydrophobicContact CB-CB 4.14Å; F1454-A1494 HydrophobicContact CG-CB 4.46Å |
| 1455 | E | 88.1 | Confident | 86.5 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.9 | -26 | -178.6 | -69.2 | 179.8 | -178.7 | 0 | 0 | 112.6 | R1451 D1452 | R1451-E1455 HydrophobicContact CG-CG 4.37Å; R1451-E1455 IonicContact CZ-OE1 2.84Å; R1451-E1455 VanDerWaalsContact CZ-OE1 3.25Å; R1451-E1455 IonicContact NE-OE1 3.22Å; R1451-E1455 PolarHBondContact NE-OE1 3.43Å; R1451-E1455 IonicContact NH2-OE1 3.66Å; R1451-E1455 PolarHBondContact NH2-OE1 3.26Å; R1451-E1455 WeakPolarHBondContact O-CG 3.34Å; R1451-E1455 PolarHBondContact O-N 3.29Å; D1452-E1455 PolarHBondContact O-N 2.72Å |
| 1456 | A | 87.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78 | -20.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1438 D1452 E1458 | R1438-A1456 HydrophobicContact CB-CB 3.89Å; R1438-A1456 HydrophobicContact CG-CB 4.11Å; D1452-A1456 WeakPolarHBondContact O-CB 3.07Å; D1452-A1456 PolarHBondContact O-N 3.4Å; A1456-E1458 PolarHBondContact O-N 2.93Å |
| 1457 | A | 85 | Confident | 86.7 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | trans | -68.7 | 126.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1453 F1454 F1459 P1460 S1463 | I1453-A1457 WeakPolarHBondContact O-CB 3.42Å; I1453-A1457 PolarHBondContact O-N 3.33Å; F1454-A1457 WeakPolarHBondContact O-CB 3.41Å; F1454-A1457 PolarHBondContact O-N 3.33Å; A1457-F1459 PolarHBondContact O-N 3.22Å; A1457-F1459 VanDerWaalsContact O-N 3.16Å; A1457-P1460 VanDerWaalsContact O-CD 3.32Å; A1457-P1460 WeakPolarHBondContact O-CD 3.25Å; A1457-P1460 WeakPolarHBondContact O-CG 3.2Å; A1457-S1463 VanDerWaalsContact CB-OG 3.25Å; A1457-S1463 WeakPolarHBondContact CB-OG 3.07Å | ||
| 1458 | E | 78.6 | Confident | 86.7 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -63 | -25.9 | -177.2 | -159.4 | 169.2 | 135.6 | 0 | 0 | 113.6 | P1362 A1456 | P1362-E1458 HydrophobicContact CB-CB 4.21Å; P1362-E1458 HydrophobicContact CB-CG 4.22Å; P1362-E1458 VanDerWaalsContact CB-OE1 3.26Å; P1362-E1458 WeakPolarHBondContact CB-OE1 3.37Å; P1362-E1458 WeakPolarHBondContact CB-OE2 3.39Å; A1456-E1458 PolarHBondContact O-N 2.93Å |
| 1459 | F | 78.4 | Confident | 86.8 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -128.3 | 82.4 | 173.1 | -59.8 | -66.3 | 0 | 0 | 0 | 109.9 | P1362 A1457 E1461 T1462 | P1362-F1459 HydrophobicContact CB-CD2 4.48Å; P1362-F1459 HydrophobicContact CB-CE2 3.9Å; P1362-F1459 HydrophobicContact CG-CE2 4.42Å; A1457-F1459 PolarHBondContact O-N 3.22Å; A1457-F1459 VanDerWaalsContact O-N 3.16Å; F1459-E1461 VanDerWaalsContact C-N 3.3Å; F1459-E1461 PolarHBondContact O-N 2.81Å; F1459-T1462 HydrophobicContact CB-CG2 4.04Å; F1459-T1462 WeakPolarHBondContact CB-OG1 3.05Å; F1459-T1462 PolarHBondContact O-N 2.85Å; F1459-T1462 PolarHBondContact O-OG1 3.09Å |
| 1460 | P | 73.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -59.3 | -37.2 | -170.4 | -22.4 | 30.8 | 0 | 0 | 0 | 113.2 | F1454 A1457 T1462 S1463 | F1454-P1460 HydrophobicContact CD2-CB 4.15Å; F1454-P1460 HydrophobicContact CE1-CB 3.93Å; F1454-P1460 HydrophobicContact CE2-CB 3.36Å; F1454-P1460 VanDerWaalsContact CE2-O 3.24Å; F1454-P1460 WeakPolarHBondContact CE2-O 3.42Å; F1454-P1460 HydrophobicContact CZ-CB 3.23Å; F1454-P1460 HydrophobicContact CZ-CG 4.47Å; A1457-P1460 VanDerWaalsContact O-CD 3.32Å; A1457-P1460 WeakPolarHBondContact O-CD 3.25Å; A1457-P1460 WeakPolarHBondContact O-CG 3.2Å; P1460-T1462 PolarHBondContact O-N 2.85Å; P1460-S1463 VanDerWaalsContact O-CB 3.27Å; P1460-S1463 WeakPolarHBondContact O-CB 3.28Å; P1460-S1463 PolarHBondContact O-N 2.9Å; P1460-S1463 PolarHBondContact O-OG 3.4Å |
| 1461 | E | 72.2 | Confident | 86.7 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -59.7 | -15.6 | 175.2 | -64.4 | -152.1 | -167.7 | 0 | 0 | 114.1 | F1459 K1490 | F1459-E1461 VanDerWaalsContact C-N 3.3Å; F1459-E1461 PolarHBondContact O-N 2.81Å; E1461-K1490 HydrophobicContact CG-CB 4.21Å; E1461-K1490 IonicContact OE1-NZ 3.81Å; E1461-K1490 PolarHBondContact OE1-NZ 2.9Å; E1461-K1490 IonicContact OE2-NZ 2.61Å; E1461-K1490 PolarHBondContact OE2-NZ 2.87Å |
| 1462 | T | 74.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 60% | 0.595 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -101.9 | -3.4 | 178.1 | 73 | 0 | 0 | 0 | 0 | 114.1 | F1459 P1460 K1464 | F1459-T1462 HydrophobicContact CB-CG2 4.04Å; F1459-T1462 WeakPolarHBondContact CB-OG1 3.05Å; F1459-T1462 PolarHBondContact O-N 2.85Å; F1459-T1462 PolarHBondContact O-OG1 3.09Å; P1460-T1462 PolarHBondContact O-N 2.85Å; T1462-K1464 PolarHBondContact O-N 2.9Å |
| 1463 | S | 81 | Confident | 86.7 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 118.7 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | A1457 P1460 F1487 | A1457-S1463 VanDerWaalsContact CB-OG 3.25Å; A1457-S1463 WeakPolarHBondContact CB-OG 3.07Å; P1460-S1463 VanDerWaalsContact O-CB 3.27Å; P1460-S1463 WeakPolarHBondContact O-CB 3.28Å; P1460-S1463 PolarHBondContact O-N 2.9Å; P1460-S1463 PolarHBondContact O-OG 3.4Å; S1463-F1487 WeakPolarHBondContact O-CD2 3.39Å |
| 1464 | K | 85.3 | Confident | 86.4 | Confident | 166 Ų | 166 | 59 Ų | 59 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 123.8 | -173.8 | -67 | -178 | -178.3 | 173.8 | 0 | 110.4 | T1462 G1466 Y1468 F1487 | T1462-K1464 PolarHBondContact O-N 2.9Å; K1464-G1466 PolarHBondContact O-N 3.12Å; K1464-Y1468 WeakPolarHBondContact O-CE2 3.28Å; K1464-Y1468 PolarHBondContact O-OH 3.34Å; K1464-Y1468 VanDerWaalsContact O-OH 3.09Å; K1464-F1487 WeakPolarHBondContact O-CE2 3.33Å |
| 1465 | S | 91.2 | Very high | 86.2 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 135.1 | 168.6 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | C1485 F1487 | S1465-C1485 CarbonylContact C-O 3.47Å; S1465-C1485 WeakPolarHBondContact CA-O 3.32Å; S1465-C1485 WeakPolarHBondContact CB-O 3.36Å; S1465-F1487 PolarHBondContact OG-N 3.18Å |
| 1466 | G | 91.9 | Very high | 86 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -172.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1464 Y1468 E1484 C1485 | K1464-G1466 PolarHBondContact O-N 3.12Å; G1466-Y1468 WeakPolarHBondContact O-CD2 3.32Å; G1466-E1484 CarbonylContact O-C 3.56Å; G1466-E1484 WeakPolarHBondContact O-CA 3.41Å; G1466-C1485 PolarHBondContact N-O 3.13Å; G1466-C1485 PolarHBondContact O-N 2.77Å |
| 1467 | T | 94.5 | Very high | 85.9 | Confident | 98 Ų | 98 | 61 Ų | 61 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 125.1 | 179.4 | -47.7 | 0 | 0 | 0 | 0 | 111 | T1482 V1483 | T1467-T1482 HydrophobicContact CG2-CG2 4.08Å; T1467-V1483 CarbonylContact C-O 3.49Å; T1467-V1483 VanDerWaalsContact CA-O 3.3Å; T1467-V1483 WeakPolarHBondContact CA-O 3.4Å |
| 1468 | Y | 94.9 | Very high | 85.9 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 160.5 | 177.1 | -69 | -92.1 | 0 | 0 | 0 | 110.7 | I1453 K1464 G1466 T1482 V1483 C1485 F1487 | I1453-Y1468 HydrophobicContact CD1-CD1 3.75Å; I1453-Y1468 HydrophobicContact CD1-CD2 4.46Å; I1453-Y1468 HydrophobicContact CD1-CG 3.67Å; I1453-Y1468 HydrophobicContact CG2-CD1 4.01Å; I1453-Y1468 HydrophobicContact CG2-CE1 3.82Å; K1464-Y1468 WeakPolarHBondContact O-CE2 3.28Å; K1464-Y1468 PolarHBondContact O-OH 3.34Å; K1464-Y1468 VanDerWaalsContact O-OH 3.09Å; G1466-Y1468 WeakPolarHBondContact O-CD2 3.32Å; Y1468-T1482 CarbonylContact O-C 3.53Å; Y1468-T1482 VanDerWaalsContact O-CA 3.28Å; Y1468-T1482 WeakPolarHBondContact O-CA 3.11Å; Y1468-V1483 PolarHBondContact N-O 2.77Å; Y1468-V1483 PolarHBondContact O-N 2.94Å; Y1468-C1485 HydrophobicContact CD2-CB 3.7Å; Y1468-C1485 VanDerWaalsContact CD2-SG 3.6Å; Y1468-C1485 HydrophobicContact CE2-CB 4.14Å; Y1468-F1487 HydrophobicContact CE2-CE2 4.07Å; Y1468-F1487 HydrophobicContact CE2-CZ 4.44Å |
| 1469 | W | 94.2 | Very high | 86.3 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 28% | 0.284 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.6 | 171.8 | -68.9 | 81.5 | 0 | 0 | 0 | 110.8 | G1441 T1442 Q1443 P1446 A1447 A1480 F1481 T1482 | G1441-W1469 WeakPolarHBondContact CA-O 3.26Å; G1441-W1469 PolarHBondContact O-N 2.82Å; T1442-W1469 WeakPolarHBondContact O-CB 3.36Å; Q1443-W1469 HydrophobicContact CB-CD2 3.79Å; Q1443-W1469 HydrophobicContact CB-CE3 4.31Å; Q1443-W1469 HydrophobicContact CB-CG 4.01Å; Q1443-W1469 HydrophobicContact CB-CZ2 4.19Å; Q1443-W1469 HydrophobicContact CG-CD2 3.88Å; Q1443-W1469 HydrophobicContact CG-CE3 3.88Å; Q1443-W1469 HydrophobicContact CG-CH2 4.01Å; Q1443-W1469 HydrophobicContact CG-CZ2 4Å; Q1443-W1469 HydrophobicContact CG-CZ3 3.95Å; P1446-W1469 HydrophobicContact CB-CB 4.26Å; A1447-W1469 PolarHBondContact N-O 3.07Å; W1469-A1480 HydrophobicContact CE3-CB 4.36Å; W1469-A1480 VanDerWaalsContact CZ3-O 3.3Å; W1469-A1480 WeakPolarHBondContact CZ3-O 3.36Å; W1469-F1481 WeakPolarHBondContact CA-O 3.48Å; W1469-T1482 HydrophobicContact CD2-CG2 3.66Å; W1469-T1482 HydrophobicContact CE3-CG2 4.1Å; W1469-T1482 HydrophobicContact CG-CG2 4.14Å; W1469-T1482 HydrophobicContact CH2-CG2 4.11Å; W1469-T1482 HydrophobicContact CZ2-CG2 3.65Å; W1469-T1482 HydrophobicContact CZ3-CG2 4.31Å |
| 1470 | I | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.6 | 174.7 | 65.1 | 162 | 0 | 0 | 0 | 112.8 | A1447 I1453 A1480 F1481 V1483 T1496 L1557 | A1447-I1470 CarbonylContact O-C 3.59Å; A1447-I1470 WeakPolarHBondContact O-CA 3.37Å; A1447-I1470 VanDerWaalsContact O-CB 3.25Å; A1447-I1470 WeakPolarHBondContact O-CB 3.4Å; I1453-I1470 HydrophobicContact CD1-CG2 4.42Å; I1470-A1480 CarbonylContact O-C 3.55Å; I1470-A1480 WeakPolarHBondContact O-CA 3.12Å; I1470-A1480 WeakPolarHBondContact O-CB 3.48Å; I1470-F1481 HydrophobicContact CD1-CE1 4.23Å; I1470-F1481 HydrophobicContact CD1-CE2 4.29Å; I1470-F1481 HydrophobicContact CD1-CZ 3.83Å; I1470-F1481 HydrophobicContact CG1-CD1 4.45Å; I1470-F1481 HydrophobicContact CG1-CE1 4.08Å; I1470-F1481 HydrophobicContact CG1-CE2 4.38Å; I1470-F1481 HydrophobicContact CG1-CZ 4.06Å; I1470-F1481 PolarHBondContact N-O 2.87Å; I1470-F1481 PolarHBondContact O-N 2.84Å; I1470-V1483 HydrophobicContact CB-CG2 4.33Å; I1470-V1483 HydrophobicContact CD1-CB 4.34Å; I1470-V1483 HydrophobicContact CD1-CG1 3.58Å; I1470-V1483 HydrophobicContact CD1-CG2 3.86Å; I1470-V1483 HydrophobicContact CG1-CB 4.43Å; I1470-V1483 HydrophobicContact CG1-CG1 3.81Å; I1470-V1483 HydrophobicContact CG1-CG2 3.75Å; I1470-V1483 HydrophobicContact CG2-CG2 3.7Å; I1470-T1496 HydrophobicContact CD1-CG2 3.7Å; I1470-L1557 HydrophobicContact CD1-CD1 4.07Å; I1470-L1557 HydrophobicContact CD1-CD2 3.96Å; I1470-L1557 HydrophobicContact CD1-CG 4.44Å |
| 1471 | D | 93.2 | Very high | 87.5 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | trans | -135.8 | 81.1 | -179.8 | -179.1 | -1.9 | 0 | 0 | 0 | 109.1 | P1446 A1447 R1448 N1473 L1474 A1480 | P1446-D1471 HydrophobicContact CB-CB 3.86Å; P1446-D1471 HydrophobicContact CG-CB 3.69Å; A1447-D1471 PolarHBondContact O-N 3.26Å; R1448-D1471 WeakPolarHBondContact CA-O 3.47Å; D1471-N1473 PolarHBondContact OD1-OD1 3.34Å; D1471-L1474 VanDerWaalsContact CG-CA 3.46Å; D1471-L1474 WeakPolarHBondContact O-CD2 3.39Å; D1471-L1474 PolarHBondContact O-N 2.7Å; D1471-L1474 WeakPolarHBondContact OD1-CA 3.4Å; D1471-L1474 PolarHBondContact OD1-N 2.9Å; D1471-L1474 WeakPolarHBondContact OD2-CA 3.21Å; D1471-A1480 HydrophobicContact CB-CB 4Å | ||
| 1472 | P | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -74.5 | -26 | -172.3 | 26.1 | -34.2 | 0 | 0 | 0 | 115.1 | R1448 F1481 L1553 L1557 L1560 | R1448-P1472 PolarHBondContact NE-O 3.19Å; R1448-P1472 VanDerWaalsContact O-CA 3.31Å; R1448-P1472 WeakPolarHBondContact O-CA 3.46Å; R1448-P1472 WeakPolarHBondContact O-CB 3.47Å; P1472-F1481 HydrophobicContact CG-CE1 3.83Å; P1472-F1481 HydrophobicContact CG-CZ 4.31Å; P1472-L1553 HydrophobicContact CG-CB 4.32Å; P1472-L1553 HydrophobicContact CG-CD2 3.76Å; P1472-L1553 WeakPolarHBondContact CG-O 3.44Å; P1472-L1557 HydrophobicContact CB-CD2 4.09Å; P1472-L1557 HydrophobicContact CB-CG 3.96Å; P1472-L1557 HydrophobicContact CG-CD2 4.48Å; P1472-L1557 HydrophobicContact CG-CG 4Å; P1472-L1560 HydrophobicContact CB-CD1 4.1Å |
| 1473 | N | 88.7 | Confident | 89.3 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -77 | -24.8 | 168.3 | 53.7 | -36.7 | 0 | 0 | 0 | 112.2 | D1471 D1479 L1553 Y1556 | D1471-N1473 PolarHBondContact OD1-OD1 3.34Å; N1473-D1479 PolarHBondContact ND2-OD2 2.89Å; N1473-L1553 WeakPolarHBondContact OD1-CD2 3.44Å; N1473-Y1556 HydrophobicContact CB-CD1 4.33Å; N1473-Y1556 HydrophobicContact CB-CD2 3.5Å; N1473-Y1556 HydrophobicContact CB-CE1 4.32Å; N1473-Y1556 HydrophobicContact CB-CE2 3.49Å; N1473-Y1556 VanDerWaalsContact CB-CE2 3.49Å; N1473-Y1556 HydrophobicContact CB-CG 3.95Å |
| 1474 | L | 86.6 | Confident | 89.9 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | trans | 63.5 | -175.8 | -171.9 | -53.9 | 157.5 | 0 | 0 | 0 | 110.2 | L325 R1448 D1471 | L325-L1474 HydrophobicContact CB-CD1 3.63Å; L325-L1474 HydrophobicContact CD1-CB 4.04Å; L325-L1474 HydrophobicContact CD1-CD1 3.95Å; L325-L1474 HydrophobicContact CD1-CG 4.48Å; L325-L1474 HydrophobicContact CD2-CD1 4.32Å; L325-L1474 HydrophobicContact CG-CD1 4.16Å; R1448-L1474 HydrophobicContact CB-CD2 4.11Å; R1448-L1474 HydrophobicContact CG-CD1 4.12Å; R1448-L1474 HydrophobicContact CG-CD2 4.03Å; R1448-L1474 HydrophobicContact CG-CG 4.05Å; D1471-L1474 VanDerWaalsContact CG-CA 3.46Å; D1471-L1474 WeakPolarHBondContact O-CD2 3.39Å; D1471-L1474 PolarHBondContact O-N 2.7Å; D1471-L1474 WeakPolarHBondContact OD1-CA 3.4Å; D1471-L1474 PolarHBondContact OD1-N 2.9Å; D1471-L1474 WeakPolarHBondContact OD2-CA 3.21Å | ||
| 1475 | G | 84.9 | Confident | 90.3 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 101.1 | -102.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | P1477 | G1475-P1477 WeakPolarHBondContact O-CD 2.87Š|
| 1476 | S | 84.1 | Confident | 90.5 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | trans | -97.8 | 109.9 | -175.7 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | T1478 D1479 | S1476-T1478 PolarHBondContact O-N 3.44Å; S1476-T1478 PolarHBondContact O-OG1 3.34Å; S1476-T1478 PolarHBondContact OG-OG1 3.08Å; S1476-D1479 PolarHBondContact O-N 2.79Å | ||
| 1477 | P | 84.7 | Confident | 90.4 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 5 | -176.4 | 28.3 | -37.1 | 0 | 0 | 0 | 114.6 | P1446 G1475 A1480 | P1446-P1477 HydrophobicContact CG-CB 3.71Å; G1475-P1477 WeakPolarHBondContact O-CD 2.87Å; P1477-A1480 VanDerWaalsContact O-CB 3.26Å; P1477-A1480 WeakPolarHBondContact O-CB 3.4Å |
| 1478 | T | 85.2 | Confident | 89.9 | Confident | 118 Ų | 118 | 40.6 Ų | 40.6 | 72% | 0.724 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.3 | 173.4 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | S1476 | S1476-T1478 PolarHBondContact O-N 3.44Å; S1476-T1478 PolarHBondContact O-OG1 3.34Å; S1476-T1478 PolarHBondContact OG-OG1 3.08Å |
| 1479 | D | 86.2 | Confident | 89.2 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -102.5 | 5.2 | 173.8 | 72.1 | -22.6 | 0 | 0 | 0 | 113.3 | N1473 S1476 Y1550 L1553 | N1473-D1479 PolarHBondContact ND2-OD2 2.89Å; S1476-D1479 PolarHBondContact O-N 2.79Å; D1479-Y1550 WeakPolarHBondContact O-CE1 3.46Å; D1479-L1553 HydrophobicContact CB-CD1 4.35Å; D1479-L1553 WeakPolarHBondContact O-CD1 3.33Å |
| 1480 | A | 89.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | trans | -54.7 | 146.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1446 W1469 I1470 D1471 P1477 | P1446-A1480 HydrophobicContact CB-CB 3.89Å; P1446-A1480 HydrophobicContact CG-CB 3.92Å; W1469-A1480 HydrophobicContact CE3-CB 4.36Å; W1469-A1480 VanDerWaalsContact CZ3-O 3.3Å; W1469-A1480 WeakPolarHBondContact CZ3-O 3.36Å; I1470-A1480 CarbonylContact O-C 3.55Å; I1470-A1480 WeakPolarHBondContact O-CA 3.12Å; I1470-A1480 WeakPolarHBondContact O-CB 3.48Å; D1471-A1480 HydrophobicContact CB-CB 4Å; P1477-A1480 VanDerWaalsContact O-CB 3.26Å; P1477-A1480 WeakPolarHBondContact O-CB 3.4Å | ||
| 1481 | F | 88.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 163.3 | -176.9 | 63.2 | -73.3 | 0 | 0 | 0 | 113.5 | W1469 I1470 P1472 V1483 I1498 Y1550 L1553 L1557 | W1469-F1481 WeakPolarHBondContact CA-O 3.48Å; I1470-F1481 HydrophobicContact CD1-CE1 4.23Å; I1470-F1481 HydrophobicContact CD1-CE2 4.29Å; I1470-F1481 HydrophobicContact CD1-CZ 3.83Å; I1470-F1481 HydrophobicContact CG1-CD1 4.45Å; I1470-F1481 HydrophobicContact CG1-CE1 4.08Å; I1470-F1481 HydrophobicContact CG1-CE2 4.38Å; I1470-F1481 HydrophobicContact CG1-CZ 4.06Å; I1470-F1481 PolarHBondContact N-O 2.87Å; I1470-F1481 PolarHBondContact O-N 2.84Å; P1472-F1481 HydrophobicContact CG-CE1 3.83Å; P1472-F1481 HydrophobicContact CG-CZ 4.31Å; F1481-V1483 HydrophobicContact CD2-CG1 3.88Å; F1481-V1483 HydrophobicContact CE2-CG1 3.44Å; F1481-V1483 VanDerWaalsContact CE2-CG1 3.44Å; F1481-V1483 HydrophobicContact CZ-CG1 4.22Å; F1481-I1498 HydrophobicContact CE2-CD1 4.18Å; F1481-I1498 HydrophobicContact CE2-CG1 4.44Å; F1481-I1498 HydrophobicContact CE2-CG2 4.05Å; F1481-I1498 HydrophobicContact CZ-CD1 4.48Å; F1481-Y1550 HydrophobicContact CB-CD1 4.16Å; F1481-Y1550 HydrophobicContact CB-CE1 3.56Å; F1481-Y1550 AromaticContact CD1-CD1 3.92Å; F1481-Y1550 HydrophobicContact CD1-CD1 3.92Å; F1481-Y1550 AromaticContact CD1-CE1 3.88Å; F1481-Y1550 HydrophobicContact CD1-CE1 3.88Å; F1481-Y1550 AromaticContact CG-CD1 3.99Å; F1481-Y1550 HydrophobicContact CG-CD1 3.99Å; F1481-Y1550 AromaticContact CG-CE1 3.86Å; F1481-Y1550 HydrophobicContact CG-CE1 3.86Å; F1481-L1553 HydrophobicContact CD1-CB 4.43Å; F1481-L1553 HydrophobicContact CD1-CD1 4.34Å; F1481-L1553 HydrophobicContact CD1-CD2 4.06Å; F1481-L1553 HydrophobicContact CE1-CB 3.82Å; F1481-L1553 HydrophobicContact CE1-CD2 3.81Å; F1481-L1553 HydrophobicContact CE1-CG 4.28Å; F1481-L1553 HydrophobicContact CZ-CB 4.46Å; F1481-L1557 HydrophobicContact CZ-CD1 3.86Å |
| 1482 | T | 91.3 | Very high | 85.8 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 133.3 | 179 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | T1467 Y1468 W1469 | T1467-T1482 HydrophobicContact CG2-CG2 4.08Å; Y1468-T1482 CarbonylContact O-C 3.53Å; Y1468-T1482 VanDerWaalsContact O-CA 3.28Å; Y1468-T1482 WeakPolarHBondContact O-CA 3.11Å; W1469-T1482 HydrophobicContact CD2-CG2 3.66Å; W1469-T1482 HydrophobicContact CE3-CG2 4.1Å; W1469-T1482 HydrophobicContact CG-CG2 4.14Å; W1469-T1482 HydrophobicContact CH2-CG2 4.11Å; W1469-T1482 HydrophobicContact CZ2-CG2 3.65Å; W1469-T1482 HydrophobicContact CZ3-CG2 4.31Å |
| 1483 | V | 92.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.1 | 172.4 | -68.7 | 0 | 0 | 0 | 0 | 110 | T1467 Y1468 I1470 F1481 T1496 I1498 | T1467-V1483 CarbonylContact C-O 3.49Å; T1467-V1483 VanDerWaalsContact CA-O 3.3Å; T1467-V1483 WeakPolarHBondContact CA-O 3.4Å; Y1468-V1483 PolarHBondContact N-O 2.77Å; Y1468-V1483 PolarHBondContact O-N 2.94Å; I1470-V1483 HydrophobicContact CB-CG2 4.33Å; I1470-V1483 HydrophobicContact CD1-CB 4.34Å; I1470-V1483 HydrophobicContact CD1-CG1 3.58Å; I1470-V1483 HydrophobicContact CD1-CG2 3.86Å; I1470-V1483 HydrophobicContact CG1-CB 4.43Å; I1470-V1483 HydrophobicContact CG1-CG1 3.81Å; I1470-V1483 HydrophobicContact CG1-CG2 3.75Å; I1470-V1483 HydrophobicContact CG2-CG2 3.7Å; F1481-V1483 HydrophobicContact CD2-CG1 3.88Å; F1481-V1483 HydrophobicContact CE2-CG1 3.44Å; F1481-V1483 VanDerWaalsContact CE2-CG1 3.44Å; F1481-V1483 HydrophobicContact CZ-CG1 4.22Å; V1483-T1496 HydrophobicContact CB-CG2 4.3Å; V1483-T1496 HydrophobicContact CG1-CG2 4.14Å; V1483-T1496 HydrophobicContact CG2-CG2 4.21Å; V1483-I1498 HydrophobicContact CG1-CG1 4.23Å |
| 1484 | E | 93.8 | Very high | 85.4 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110.7 | 166.7 | -178.6 | 169.5 | -101.7 | 0 | 0 | 108.7 | G1466 R1486 C1497 K1499 | G1466-E1484 CarbonylContact O-C 3.56Å; G1466-E1484 WeakPolarHBondContact O-CA 3.41Å; E1484-R1486 HydrophobicContact CG-CG 4.36Å; E1484-R1486 IonicContact OE2-CZ 2.7Å; E1484-R1486 IonicContact OE2-NE 2.77Å; E1484-R1486 PolarHBondContact OE2-NE 3.2Å; E1484-R1486 IonicContact OE2-NH2 3.14Å; E1484-R1486 PolarHBondContact OE2-NH2 2.76Å; E1484-C1497 HydrophobicContact CB-CB 4.29Å; E1484-C1497 PolarHBondContact N-O 3.06Å; E1484-C1497 WeakPolarHBondContact O-CA 3.49Å; E1484-C1497 VanDerWaalsContact O-CB 3.23Å; E1484-C1497 WeakPolarHBondContact O-CB 3.46Å; E1484-C1497 PolarHBondContact O-N 2.98Å; E1484-K1499 VanDerWaalsContact OE1-CE 3.29Å; E1484-K1499 WeakPolarHBondContact OE1-CE 3.33Å; E1484-K1499 IonicContact OE1-NZ 2.9Å; E1484-K1499 PolarHBondContact OE1-NZ 2.87Å; E1484-K1499 WeakPolarHBondContact OE2-CE 3.44Å; E1484-K1499 IonicContact OE2-NZ 2.7Å |
| 1485 | C | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.9 | 171.2 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | C1450 S1465 G1466 Y1468 F1487 E1495 | C1450-C1485 VanDerWaalsContact CA-SG 3.57Å; C1450-C1485 HydrophobicContact CB-CB 3.57Å; C1450-C1485 WeakPolarHBondContact CB-SG 3.48Å; C1450-C1485 WeakPolarHBondContact SG-CA 3.1Å; C1450-C1485 WeakPolarHBondContact SG-CB 3.47Å; C1450-C1485 CovalentContact SG-SG 2.03Å; C1450-C1485 PolarHBondContact SG-SG 2.04Å; S1465-C1485 CarbonylContact C-O 3.47Å; S1465-C1485 WeakPolarHBondContact CA-O 3.32Å; S1465-C1485 WeakPolarHBondContact CB-O 3.36Å; G1466-C1485 PolarHBondContact N-O 3.13Å; G1466-C1485 PolarHBondContact O-N 2.77Å; Y1468-C1485 HydrophobicContact CD2-CB 3.7Å; Y1468-C1485 VanDerWaalsContact CD2-SG 3.6Å; Y1468-C1485 HydrophobicContact CE2-CB 4.14Å; C1485-F1487 HydrophobicContact CB-CE1 4.01Å; C1485-F1487 HydrophobicContact CB-CE2 4.01Å; C1485-F1487 HydrophobicContact CB-CZ 3.54Å; C1485-E1495 WeakPolarHBondContact CA-O 3.39Å |
| 1486 | R | 93.7 | Very high | 86.3 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.3 | 171.7 | -61 | 179.5 | -172.4 | 168.4 | 3.8 | 109.5 | E1484 A1494 E1495 | E1484-R1486 HydrophobicContact CG-CG 4.36Å; E1484-R1486 IonicContact OE2-CZ 2.7Å; E1484-R1486 IonicContact OE2-NE 2.77Å; E1484-R1486 PolarHBondContact OE2-NE 3.2Å; E1484-R1486 IonicContact OE2-NH2 3.14Å; E1484-R1486 PolarHBondContact OE2-NH2 2.76Å; R1486-A1494 WeakPolarHBondContact O-CA 3.47Å; R1486-E1495 HydrophobicContact CB-CB 4.25Å; R1486-E1495 PolarHBondContact N-O 3.27Å; R1486-E1495 PolarHBondContact O-N 2.94Å |
| 1487 | F | 91.1 | Very high | 86.7 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 106.9 | 175.2 | -51.9 | -57.8 | 0 | 0 | 0 | 108.4 | C1450 F1454 S1463 K1464 S1465 Y1468 C1485 V1493 A1494 | C1450-F1487 HydrophobicContact CB-CE1 4.39Å; C1450-F1487 WeakPolarHBondContact O-CE1 3.47Å; F1454-F1487 HydrophobicContact CB-CD1 4.04Å; F1454-F1487 HydrophobicContact CB-CE1 3.76Å; F1454-F1487 AromaticContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CE1 4.42Å; F1454-F1487 HydrophobicContact CD2-CG 4.37Å; F1454-F1487 HydrophobicContact CG-CD1 4.31Å; F1454-F1487 HydrophobicContact CG-CE1 4.5Å; S1463-F1487 WeakPolarHBondContact O-CD2 3.39Å; K1464-F1487 WeakPolarHBondContact O-CE2 3.33Å; S1465-F1487 PolarHBondContact OG-N 3.18Å; Y1468-F1487 HydrophobicContact CE2-CE2 4.07Å; Y1468-F1487 HydrophobicContact CE2-CZ 4.44Å; C1485-F1487 HydrophobicContact CB-CE1 4.01Å; C1485-F1487 HydrophobicContact CB-CE2 4.01Å; C1485-F1487 HydrophobicContact CB-CZ 3.54Å; F1487-V1493 WeakPolarHBondContact CA-O 3.34Å; F1487-A1494 HydrophobicContact CD1-CB 3.78Å; F1487-A1494 HydrophobicContact CE1-CB 3.96Å |
| 1488 | Q | 84.2 | Confident | 87.1 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 164.3 | -179.5 | -54.6 | -166.3 | 29.5 | 0 | 0 | 111.4 | K1490 G1491 N1492 V1493 E1495 | Q1488-K1490 PolarHBondContact O-N 2.85Å; Q1488-G1491 CarbonylContact O-C 3.58Å; Q1488-G1491 WeakPolarHBondContact O-CA 3.33Å; Q1488-G1491 PolarHBondContact O-N 2.83Å; Q1488-N1492 PolarHBondContact O-N 2.84Å; Q1488-V1493 HydrophobicContact CB-CB 4.33Å; Q1488-V1493 PolarHBondContact N-O 3.29Å; Q1488-V1493 PolarHBondContact O-N 2.95Å; Q1488-E1495 PolarHBondContact NE2-OE1 3.44Å; Q1488-E1495 VanDerWaalsContact NE2-OE1 3.15Å; Q1488-E1495 PolarHBondContact NE2-OE2 3.39Å |
| 1489 | N | 79.6 | Confident | 87.1 | Confident | 112 Ų | 112 | 43.5 Ų | 43.5 | 60% | 0.599 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | 52.2 | 52 | 176.2 | -63 | -34.3 | 0 | 0 | 0 | 113.9 | G1491 N1492 | N1489-G1491 PolarHBondContact O-N 2.75Å; N1489-G1491 VanDerWaalsContact O-N 3.12Å; N1489-N1492 HydrophobicContact CB-CB 4.37Å; N1489-N1492 PolarHBondContact O-N 2.86Å |
| 1490 | K | 68.2 | Low | 86.8 | Confident | 147 Ų | 147 | 42.4 Ų | 42.4 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | 55.8 | 22 | -173 | -64.7 | 169.9 | 149.8 | -117.1 | 0 | 113.9 | E1461 Q1488 | E1461-K1490 HydrophobicContact CG-CB 4.21Å; E1461-K1490 IonicContact OE1-NZ 3.81Å; E1461-K1490 PolarHBondContact OE1-NZ 2.9Å; E1461-K1490 IonicContact OE2-NZ 2.61Å; E1461-K1490 PolarHBondContact OE2-NZ 2.87Å; Q1488-K1490 PolarHBondContact O-N 2.85Å |
| 1491 | G | 65.3 | Low | 86.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | 104.4 | -12.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1454 Q1488 N1489 V1493 | F1454-G1491 WeakPolarHBondContact CE1-O 3.39Å; F1454-G1491 WeakPolarHBondContact CE2-O 3.12Å; F1454-G1491 WeakPolarHBondContact CZ-O 3.4Å; Q1488-G1491 CarbonylContact O-C 3.58Å; Q1488-G1491 WeakPolarHBondContact O-CA 3.33Å; Q1488-G1491 PolarHBondContact O-N 2.83Å; N1489-G1491 PolarHBondContact O-N 2.75Å; N1489-G1491 VanDerWaalsContact O-N 3.12Å; G1491-V1493 PolarHBondContact O-N 3.35Å |
| 1492 | N | 75.5 | Confident | 85.8 | Confident | 140 Ų | 140 | 48.8 Ų | 48.8 | 75% | 0.749 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.8 | 179.9 | -73.8 | -24.6 | 0 | 0 | 0 | 114.3 | Q1488 N1489 | Q1488-N1492 PolarHBondContact O-N 2.84Å; N1489-N1492 HydrophobicContact CB-CB 4.37Å; N1489-N1492 PolarHBondContact O-N 2.86Å |
| 1493 | V | 82.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 52 Ų | 52 | 30% | 0.297 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 117.8 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | F1487 Q1488 G1491 E1495 | F1487-V1493 WeakPolarHBondContact CA-O 3.34Å; Q1488-V1493 HydrophobicContact CB-CB 4.33Å; Q1488-V1493 PolarHBondContact N-O 3.29Å; Q1488-V1493 PolarHBondContact O-N 2.95Å; G1491-V1493 PolarHBondContact O-N 3.35Å; V1493-E1495 HydrophobicContact CG1-CG 3.98Å |
| 1494 | A | 91 | Very high | 83.9 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 106.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R1451 F1454 R1486 F1487 | R1451-A1494 HydrophobicContact CB-CB 4.04Å; F1454-A1494 HydrophobicContact CB-CB 4.14Å; F1454-A1494 HydrophobicContact CG-CB 4.46Å; R1486-A1494 WeakPolarHBondContact O-CA 3.47Å; F1487-A1494 HydrophobicContact CD1-CB 3.78Å; F1487-A1494 HydrophobicContact CE1-CB 3.96Å |
| 1495 | E | 94.3 | Very high | 83.3 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.5 | -179.6 | -54.7 | 172.3 | 144.6 | 0 | 0 | 110 | C1485 R1486 Q1488 V1493 C1672 F1673 | C1485-E1495 WeakPolarHBondContact CA-O 3.39Å; R1486-E1495 HydrophobicContact CB-CB 4.25Å; R1486-E1495 PolarHBondContact N-O 3.27Å; R1486-E1495 PolarHBondContact O-N 2.94Å; Q1488-E1495 PolarHBondContact NE2-OE1 3.44Å; Q1488-E1495 VanDerWaalsContact NE2-OE1 3.15Å; Q1488-E1495 PolarHBondContact NE2-OE2 3.39Å; V1493-E1495 HydrophobicContact CG1-CG 3.98Å; E1495-C1672 HydrophobicContact CB-CB 4.39Å; E1495-F1673 WeakPolarHBondContact CA-O 3.3Å |
| 1496 | T | 95.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 97.9 | 172.8 | -57.2 | 0 | 0 | 0 | 0 | 109 | C1450 I1470 V1483 L1557 H1561 F1673 | C1450-T1496 WeakPolarHBondContact CB-OG1 3.46Å; C1450-T1496 PolarHBondContact N-OG1 3.3Å; I1470-T1496 HydrophobicContact CD1-CG2 3.7Å; V1483-T1496 HydrophobicContact CB-CG2 4.3Å; V1483-T1496 HydrophobicContact CG1-CG2 4.14Å; V1483-T1496 HydrophobicContact CG2-CG2 4.21Å; T1496-L1557 HydrophobicContact CG2-CD1 4.16Å; T1496-L1557 HydrophobicContact CG2-CD2 3.76Å; T1496-H1561 PolarHBondContact OG1-NE2 3.38Å; T1496-F1673 PolarHBondContact N-O 3.49Å; T1496-F1673 PolarHBondContact O-N 3.13Å |
| 1497 | C | 94.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.5 | -175.5 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | E1484 A1670 V1671 C1672 | E1484-C1497 HydrophobicContact CB-CB 4.29Å; E1484-C1497 PolarHBondContact N-O 3.06Å; E1484-C1497 WeakPolarHBondContact O-CA 3.49Å; E1484-C1497 VanDerWaalsContact O-CB 3.23Å; E1484-C1497 WeakPolarHBondContact O-CB 3.46Å; E1484-C1497 PolarHBondContact O-N 2.98Å; C1497-A1670 HydrophobicContact CB-CB 3.99Å; C1497-V1671 CarbonylContact C-O 3.57Å; C1497-V1671 VanDerWaalsContact CA-O 3.29Å; C1497-V1671 WeakPolarHBondContact CA-O 3.37Å; C1497-C1672 HydrophobicContact CB-CB 4.14Å; C1497-C1672 WeakPolarHBondContact CB-SG 3.43Å; C1497-C1672 WeakPolarHBondContact SG-CB 3.46Å; C1497-C1672 CovalentContact SG-SG 2.04Å; C1497-C1672 PolarHBondContact SG-SG 2.88Å |
| 1498 | I | 91.2 | Very high | 82.3 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.8 | 176.3 | -29.3 | 178 | 0 | 0 | 0 | 109.9 | F1481 V1483 F1544 I1554 L1557 A1670 V1671 F1673 | F1481-I1498 HydrophobicContact CE2-CD1 4.18Å; F1481-I1498 HydrophobicContact CE2-CG1 4.44Å; F1481-I1498 HydrophobicContact CE2-CG2 4.05Å; F1481-I1498 HydrophobicContact CZ-CD1 4.48Å; V1483-I1498 HydrophobicContact CG1-CG1 4.23Å; I1498-F1544 HydrophobicContact CB-CZ 4.3Å; I1498-F1544 HydrophobicContact CG2-CE1 3.67Å; I1498-F1544 HydrophobicContact CG2-CE2 4.31Å; I1498-F1544 HydrophobicContact CG2-CZ 3.34Å; I1498-I1554 HydrophobicContact CD1-CG1 4Å; I1498-L1557 HydrophobicContact CD1-CD1 3.6Å; I1498-L1557 HydrophobicContact CG1-CD1 4.24Å; I1498-A1670 CarbonylContact O-C 3.55Å; I1498-A1670 WeakPolarHBondContact O-CA 3.25Å; I1498-A1670 WeakPolarHBondContact O-CB 3.34Å; I1498-V1671 HydrophobicContact CB-CG1 4.01Å; I1498-V1671 HydrophobicContact CD1-CG1 4.37Å; I1498-V1671 HydrophobicContact CG1-CG1 4.19Å; I1498-V1671 PolarHBondContact N-O 3Å; I1498-V1671 PolarHBondContact O-N 3.33Å; I1498-F1673 HydrophobicContact CD1-CD2 4.41Å; I1498-F1673 HydrophobicContact CD1-CE2 3.77Å; I1498-F1673 HydrophobicContact CG1-CD2 4.43Å; I1498-F1673 HydrophobicContact CG1-CE2 4.11Å |
| 1499 | K | 86.1 | Confident | 82.6 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 39% | 0.391 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 141.3 | -178.5 | -72.1 | 174.1 | 179.6 | 171.6 | 0 | 111.7 | E1484 F1544 A1670 | E1484-K1499 VanDerWaalsContact OE1-CE 3.29Å; E1484-K1499 WeakPolarHBondContact OE1-CE 3.33Å; E1484-K1499 IonicContact OE1-NZ 2.9Å; E1484-K1499 PolarHBondContact OE1-NZ 2.87Å; E1484-K1499 WeakPolarHBondContact OE2-CE 3.44Å; E1484-K1499 IonicContact OE2-NZ 2.7Å; K1499-F1544 WeakPolarHBondContact O-CE1 3.48Å; K1499-F1544 WeakPolarHBondContact O-CZ 3.37Å; K1499-A1670 HydrophobicContact CG-CB 3.99Å |
| 1500 | P | 80.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 152.2 | 164.1 | 20.3 | -28.2 | 0 | 0 | 0 | 112 | K1505 F1542 M1668 | P1500-K1505 HydrophobicContact CB-CB 3.96Å; P1500-K1505 HydrophobicContact CG-CB 3.79Å; P1500-K1505 HydrophobicContact CG-CG 3.93Å; P1500-F1542 HydrophobicContact CB-CD1 3.65Å; P1500-F1542 HydrophobicContact CB-CE1 3.78Å; P1500-F1542 HydrophobicContact CG-CE1 4.23Å; P1500-M1668 HydrophobicContact CG-CB 4.29Å; P1500-M1668 VanDerWaalsContact CG-O 3.25Å; P1500-M1668 WeakPolarHBondContact CG-O 3.39Å |
| 1501 | S | 76.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 144.5 | 169.6 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | D1503 T1504 K1505 H1543 | S1501-D1503 PolarHBondContact O-N 2.8Å; S1501-D1503 VanDerWaalsContact O-N 3.14Å; S1501-T1504 PolarHBondContact O-N 3.49Å; S1501-T1504 PolarHBondContact O-OG1 2.02Å; S1501-K1505 VanDerWaalsContact O-CB 3.22Å; S1501-K1505 WeakPolarHBondContact O-CB 3.17Å; S1501-K1505 PolarHBondContact O-N 2.76Å; S1501-H1543 WeakPolarHBondContact CB-O 3.49Å; S1501-H1543 PolarHBondContact OG-O 3.31Å |
| 1502 | E | 78.3 | Confident | 84.3 | Confident | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.9 | -32.4 | -174.3 | -66.5 | -62.9 | 146.5 | 0 | 0 | 112.8 | T1504 K1505 | E1502-T1504 VanDerWaalsContact C-N 3.27Å; E1502-T1504 PolarHBondContact O-N 3.3Å; E1502-K1505 IonicContact OE1-NZ 2.71Å; E1502-K1505 PolarHBondContact OE1-NZ 3.19Å; E1502-K1505 WeakPolarHBondContact OE2-CD 3.35Å; E1502-K1505 IonicContact OE2-NZ 3.25Å; E1502-K1505 PolarHBondContact OE2-NZ 2.84Å |
| 1503 | D | 70.6 | Confident | 84.2 | Confident | 139 Ų | 139 | 40.4 Ų | 40.4 | 74% | 0.743 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.2 | -25.8 | 176.3 | -70.4 | -32.5 | 0 | 0 | 0 | 113.9 | S1501 | S1501-D1503 PolarHBondContact O-N 2.8Å; S1501-D1503 VanDerWaalsContact O-N 3.14Å |
| 1504 | T | 73.7 | Confident | 83.5 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -117.6 | -12.2 | -174.4 | 67 | 0 | 0 | 0 | 0 | 113.4 | S1501 E1502 Q1539 M1541 H1543 Y1666 | S1501-T1504 PolarHBondContact O-N 3.49Å; S1501-T1504 PolarHBondContact O-OG1 2.02Å; E1502-T1504 VanDerWaalsContact C-N 3.27Å; E1502-T1504 PolarHBondContact O-N 3.3Å; T1504-Q1539 WeakPolarHBondContact CG2-O 3.26Å; T1504-M1541 WeakPolarHBondContact CB-O 3.3Å; T1504-M1541 WeakPolarHBondContact CG2-O 3.46Å; T1504-M1541 PolarHBondContact OG1-O 2.91Å; T1504-M1541 VanDerWaalsContact OG1-O 3.07Å; T1504-H1543 HydrophobicContact CG2-CB 3.78Å; T1504-Y1666 WeakPolarHBondContact O-CE2 3.33Å; T1504-Y1666 PolarHBondContact O-OH 2.97Å |
| 1505 | K | 82.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 177.5 | 173.1 | -179 | 170.1 | -158.9 | 0 | 113.2 | P1500 S1501 E1502 Y1667 M1668 | P1500-K1505 HydrophobicContact CB-CB 3.96Å; P1500-K1505 HydrophobicContact CG-CB 3.79Å; P1500-K1505 HydrophobicContact CG-CG 3.93Å; S1501-K1505 VanDerWaalsContact O-CB 3.22Å; S1501-K1505 WeakPolarHBondContact O-CB 3.17Å; S1501-K1505 PolarHBondContact O-N 2.76Å; E1502-K1505 IonicContact OE1-NZ 2.71Å; E1502-K1505 PolarHBondContact OE1-NZ 3.19Å; E1502-K1505 WeakPolarHBondContact OE2-CD 3.35Å; E1502-K1505 IonicContact OE2-NZ 3.25Å; E1502-K1505 PolarHBondContact OE2-NZ 2.84Å; K1505-Y1667 HydrophobicContact CG-CE2 4.09Å; K1505-Y1667 WeakPolarHBondContact O-CA 3.23Å; K1505-M1668 PolarHBondContact O-N 2.72Å |
| 1506 | T | 85.9 | Confident | 81.3 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 119.1 | -177.1 | -37.9 | 0 | 0 | 0 | 0 | 111.7 | Y1666 Y1667 | T1506-Y1666 WeakPolarHBondContact CA-O 3.5Å; T1506-Y1667 HydrophobicContact CG2-CD2 4.18Å |
| 1507 | Q | 84.5 | Confident | 80.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 114.8 | 167.2 | 173.8 | 56.3 | 63.8 | 0 | 0 | 108.2 | T1510 F1512 Q1528 T1538 G1665 Y1666 | Q1507-T1510 PolarHBondContact NE2-OG1 3.18Å; Q1507-F1512 HydrophobicContact CG-CZ 3.8Å; Q1507-Q1528 VanDerWaalsContact NE2-NE2 3.13Å; Q1507-T1538 VanDerWaalsContact OE1-CG2 3.22Å; Q1507-G1665 CarbonylContact O-C 3.53Å; Q1507-G1665 WeakPolarHBondContact O-CA 3.33Å; Q1507-Y1666 HydrophobicContact CB-CD1 3.44Å; Q1507-Y1666 VanDerWaalsContact CB-CD1 3.44Å; Q1507-Y1666 HydrophobicContact CB-CD2 4.3Å; Q1507-Y1666 HydrophobicContact CB-CE1 3.17Å; Q1507-Y1666 HydrophobicContact CB-CE2 4.08Å; Q1507-Y1666 HydrophobicContact CB-CG 3.98Å; Q1507-Y1666 HydrophobicContact CG-CD1 3.92Å; Q1507-Y1666 HydrophobicContact CG-CE1 3.69Å; Q1507-Y1666 PolarHBondContact N-O 2.71Å; Q1507-Y1666 PolarHBondContact O-N 3.04Å |
| 1508 | P | 88.2 | Confident | 79.6 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 156.7 | 174.3 | 26.3 | -34.5 | 0 | 0 | 0 | 110.6 | T1510 | P1508-T1510 WeakPolarHBondContact O-CB 3.37Å; P1508-T1510 PolarHBondContact O-N 2.69Å; P1508-T1510 PolarHBondContact O-OG1 2.72Å |
| 1509 | L | 89.2 | Confident | 78.9 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 109.9 | 174.3 | -176.1 | 69.3 | 0 | 0 | 0 | 109.3 | T1571 R1573 E1663 | L1509-T1571 HydrophobicContact CD1-CG2 4.19Å; L1509-R1573 HydrophobicContact CD1-CB 4.24Å; L1509-R1573 HydrophobicContact CD2-CB 4.11Å; L1509-E1663 HydrophobicContact CD1-CB 3.73Å; L1509-E1663 WeakPolarHBondContact CD1-O 3Å; L1509-E1663 WeakPolarHBondContact CD2-OE2 3.45Å; L1509-E1663 HydrophobicContact CG-CB 3.8Å; L1509-E1663 WeakPolarHBondContact CG-OE2 3.29Å |
| 1510 | T | 85.6 | Confident | 78.9 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.1 | -167 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | Q1507 P1508 F1512 Q1528 E1663 I1664 | Q1507-T1510 PolarHBondContact NE2-OG1 3.18Å; P1508-T1510 WeakPolarHBondContact O-CB 3.37Å; P1508-T1510 PolarHBondContact O-N 2.69Å; P1508-T1510 PolarHBondContact O-OG1 2.72Å; T1510-F1512 HydrophobicContact CG2-CE1 4.44Å; T1510-F1512 HydrophobicContact CG2-CZ 4.43Å; T1510-Q1528 HydrophobicContact CG2-CG 4.28Å; T1510-E1663 WeakPolarHBondContact O-CA 3.37Å; T1510-I1664 PolarHBondContact N-O 3.16Å; T1510-I1664 PolarHBondContact O-N 3.18Å |
| 1511 | N | 85 | Confident | 79 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 125.2 | 163.7 | -174.4 | -88.2 | 0 | 0 | 0 | 108.7 | E1659 S1660 Q1662 E1663 | N1511-E1659 PolarHBondContact ND2-O 3.17Å; N1511-S1660 PolarHBondContact ND2-O 3.07Å; N1511-Q1662 PolarHBondContact ND2-O 3.06Å; N1511-E1663 HydrophobicContact CB-CG 4.14Å |
| 1512 | F | 79.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.2 | 179.8 | -61 | -91.5 | 0 | 0 | 0 | 110.8 | Q1507 T1510 L1526 Q1528 F1657 I1664 | Q1507-F1512 HydrophobicContact CG-CZ 3.8Å; T1510-F1512 HydrophobicContact CG2-CE1 4.44Å; T1510-F1512 HydrophobicContact CG2-CZ 4.43Å; F1512-L1526 HydrophobicContact CB-CB 4.19Å; F1512-L1526 HydrophobicContact CB-CD1 4.21Å; F1512-L1526 HydrophobicContact CB-CD2 4.14Å; F1512-L1526 HydrophobicContact CB-CG 4.42Å; F1512-L1526 HydrophobicContact CD1-CB 3.81Å; F1512-L1526 HydrophobicContact CD1-CD1 4.33Å; F1512-L1526 HydrophobicContact CD2-CD1 4.1Å; F1512-L1526 HydrophobicContact CE1-CB 4.45Å; F1512-L1526 HydrophobicContact CG-CB 4.1Å; F1512-L1526 HydrophobicContact CG-CD1 3.96Å; F1512-L1526 HydrophobicContact CG-CG 4.49Å; F1512-Q1528 HydrophobicContact CD1-CG 4.31Å; F1512-Q1528 HydrophobicContact CE1-CG 3.8Å; F1512-F1657 HydrophobicContact CB-CE1 4.16Å; F1512-F1657 AromaticContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CZ 4.09Å; F1512-I1664 HydrophobicContact CD2-CG2 4Å; F1512-I1664 HydrophobicContact CE2-CG2 3.61Å; F1512-I1664 WeakPolarHBondContact CE2-O 3Å |
| 1513 | V | 72.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | K1527 Q1529 M1535 | V1513-K1527 PolarHBondContact N-O 2.69Å; V1513-Q1529 HydrophobicContact CG2-CB 3.97Å; V1513-Q1529 HydrophobicContact CG2-CG 4.26Å; V1513-M1535 HydrophobicContact CB-CE 3.91Å; V1513-M1535 HydrophobicContact CB-SD 3.92Å; V1513-M1535 HydrophobicContact CG1-CE 3.9Å; V1513-M1535 HydrophobicContact CG2-CE 4.33Å; V1513-M1535 HydrophobicContact CG2-SD 3.91Å |
| 1514 | K | 67.4 | Low | 80.2 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.4 | 173.3 | -77.6 | 173.6 | 159.8 | 149.8 | 0 | 111 | S1518 W1521 F1657 G1658 | K1514-S1518 WeakPolarHBondContact CE-O 3.44Å; K1514-W1521 HydrophobicContact CB-CZ2 4.06Å; K1514-W1521 HydrophobicContact CG-CZ2 3.89Å; K1514-F1657 WeakPolarHBondContact CE-O 3.48Å; K1514-F1657 PolarHBondContact NZ-O 3.13Å; K1514-G1658 WeakPolarHBondContact CD-O 3.22Å; K1514-G1658 WeakPolarHBondContact CE-O 2.99Å; K1514-G1658 PolarHBondContact NZ-O 3.12Å |
| 1515 | T | 68.1 | Low | 80.5 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -92.2 | -10.6 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | W1521 K1527 | T1515-W1521 WeakPolarHBondContact OG1-CH2 3.44Å; T1515-W1521 VanDerWaalsContact OG1-CZ3 3.29Å; T1515-W1521 WeakPolarHBondContact OG1-CZ3 3.29Å; T1515-K1527 HydrophobicContact CG2-CD 3.67Å; T1515-K1527 HydrophobicContact CG2-CG 4.02Å |
| 1516 | N | 72.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -163.2 | 172.4 | -175.1 | 36.6 | -67.8 | 0 | 0 | 0 | 108.8 | S1518 W1521 | N1516-S1518 PolarHBondContact O-N 2.96Å; N1516-S1518 VanDerWaalsContact O-N 3.14Å; N1516-W1521 HydrophobicContact CB-CH2 4.27Å; N1516-W1521 WeakPolarHBondContact ND2-CH2 3.36Å; N1516-W1521 WeakPolarHBondContact O-CZ2 3.49Å; N1516-W1521 WeakPolarHBondContact OD1-CH2 3.35Å; N1516-W1521 WeakPolarHBondContact OD1-CZ3 3.5Å |
| 1517 | N | 73.1 | Confident | 79.5 | Confident | 173 Ų | 173 | 50.6 Ų | 50.6 | 93% | 0.925 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -80.9 | 17.5 | -174 | -75 | -6.6 | 0 | 0 | 0 | 115.2 | ||
| 1518 | S | 79.8 | Confident | 78.8 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | trans | -65.9 | 151.1 | 175.4 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | K1514 N1516 D1520 W1521 | K1514-S1518 WeakPolarHBondContact CE-O 3.44Å; N1516-S1518 PolarHBondContact O-N 2.96Å; N1516-S1518 VanDerWaalsContact O-N 3.14Å; S1518-D1520 PolarHBondContact OG-N 2.95Å; S1518-D1520 VanDerWaalsContact OG-N 3.09Å; S1518-D1520 PolarHBondContact OG-O 3.48Å; S1518-W1521 PolarHBondContact O-NE1 2.8Å | ||
| 1519 | K | 77.7 | Confident | 77.5 | Confident | 128 Ų | 128 | 54.7 Ų | 54.7 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -95.5 | -21.2 | 165.2 | -77.5 | -167.4 | 176.1 | -168.9 | 0 | 112.8 | E1656 F1657 | K1519-E1656 PolarHBondContact O-N 3.15Å; K1519-E1656 VanDerWaalsContact O-N 3.16Å; K1519-F1657 PolarHBondContact O-N 3.35Å |
| 1520 | D | 84.6 | Confident | 76.3 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | trans | -111.7 | 132.3 | -176 | -53 | -24.9 | 0 | 0 | 0 | 110.1 | S1518 L1654 K1655 E1656 | S1518-D1520 PolarHBondContact OG-N 2.95Å; S1518-D1520 VanDerWaalsContact OG-N 3.09Å; S1518-D1520 PolarHBondContact OG-O 3.48Å; D1520-L1654 CarbonylContact C-O 3.58Å; D1520-L1654 VanDerWaalsContact CA-O 3.29Å; D1520-L1654 WeakPolarHBondContact CA-O 3.37Å; D1520-K1655 WeakPolarHBondContact OD1-CA 3.37Å; D1520-E1656 PolarHBondContact OD1-N 3.45Å | ||
| 1521 | W | 83.6 | Confident | 74.9 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 119.4 | -163 | -68.8 | 96.7 | 0 | 0 | 0 | 113 | K1514 T1515 N1516 S1518 Q1525 L1526 Q1653 L1654 | K1514-W1521 HydrophobicContact CB-CZ2 4.06Å; K1514-W1521 HydrophobicContact CG-CZ2 3.89Å; T1515-W1521 WeakPolarHBondContact OG1-CH2 3.44Å; T1515-W1521 VanDerWaalsContact OG1-CZ3 3.29Å; T1515-W1521 WeakPolarHBondContact OG1-CZ3 3.29Å; N1516-W1521 HydrophobicContact CB-CH2 4.27Å; N1516-W1521 WeakPolarHBondContact ND2-CH2 3.36Å; N1516-W1521 WeakPolarHBondContact O-CZ2 3.49Å; N1516-W1521 WeakPolarHBondContact OD1-CH2 3.35Å; N1516-W1521 WeakPolarHBondContact OD1-CZ3 3.5Å; S1518-W1521 PolarHBondContact O-NE1 2.8Å; W1521-Q1525 HydrophobicContact CE3-CB 4.4Å; W1521-L1526 HydrophobicContact CB-CD1 4.49Å; W1521-L1526 HydrophobicContact CB-CD2 3.82Å; W1521-L1526 HydrophobicContact CB-CG 4.17Å; W1521-L1526 HydrophobicContact CD2-CD2 3.89Å; W1521-L1526 HydrophobicContact CE3-CD2 3.99Å; W1521-L1526 HydrophobicContact CG-CD2 3.84Å; W1521-Q1653 CarbonylContact O-C 3.55Å; W1521-Q1653 VanDerWaalsContact O-CA 3.29Å; W1521-Q1653 WeakPolarHBondContact O-CA 3.5Å; W1521-L1654 PolarHBondContact N-O 3.03Å; W1521-L1654 PolarHBondContact O-N 3.13Å |
| 1522 | W | 86.7 | Confident | 73.6 | Confident | 40 Ų | 40 | 70 Ų | 70 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 134.1 | 161.1 | -66.8 | 96.3 | 0 | 0 | 0 | 109.7 | S1524 Q1525 L1526 I1591 K1593 V1599 D1651 I1652 Q1653 | W1522-S1524 PolarHBondContact O-N 3.46Å; W1522-Q1525 HydrophobicContact CB-CB 4.36Å; W1522-Q1525 HydrophobicContact CB-CG 3.92Å; W1522-Q1525 WeakPolarHBondContact O-CA 3.23Å; W1522-Q1525 VanDerWaalsContact O-CB 3.31Å; W1522-Q1525 WeakPolarHBondContact O-CB 3.3Å; W1522-Q1525 PolarHBondContact O-N 3.41Å; W1522-L1526 PolarHBondContact O-N 2.88Å; W1522-I1591 HydrophobicContact CH2-CG2 3.86Å; W1522-I1591 HydrophobicContact CZ2-CG2 4.37Å; W1522-K1593 HydrophobicContact CH2-CB 3.83Å; W1522-K1593 HydrophobicContact CZ3-CB 3.67Å; W1522-V1599 HydrophobicContact CH2-CG1 4.05Å; W1522-V1599 HydrophobicContact CH2-CG2 4.13Å; W1522-V1599 HydrophobicContact CZ2-CG1 4.23Å; W1522-V1599 HydrophobicContact CZ2-CG2 4.21Å; W1522-D1651 HydrophobicContact CE3-CB 3.72Å; W1522-D1651 VanDerWaalsContact CE3-CG 3.49Å; W1522-D1651 HydrophobicContact CZ3-CB 4.03Å; W1522-I1652 CarbonylContact C-O 3.56Å; W1522-I1652 VanDerWaalsContact CA-O 3.29Å; W1522-I1652 WeakPolarHBondContact CA-O 3.41Å; W1522-I1652 VanDerWaalsContact CE3-C 3.42Å; W1522-Q1653 HydrophobicContact CD2-CB 3.7Å; W1522-Q1653 HydrophobicContact CD2-CG 4.42Å; W1522-Q1653 HydrophobicContact CE3-CB 3.68Å; W1522-Q1653 HydrophobicContact CG-CB 4.3Å; W1522-Q1653 HydrophobicContact CH2-CB 3.9Å; W1522-Q1653 HydrophobicContact CZ2-CB 3.92Å; W1522-Q1653 HydrophobicContact CZ3-CB 3.78Å |
| 1523 | I | 84.2 | Confident | 72.5 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -61.6 | -35 | 178.3 | -59.3 | -177.8 | 0 | 0 | 0 | 109.6 | Q1525 L1526 T1538 V1540 I1652 L1654 Y1666 | I1523-Q1525 PolarHBondContact O-N 3.04Å; I1523-L1526 HydrophobicContact CG1-CD1 4.45Å; I1523-L1526 PolarHBondContact O-N 3.23Å; I1523-T1538 CarbonylContact C-O 3.51Å; I1523-T1538 HydrophobicContact CG2-CG2 3.8Å; I1523-V1540 HydrophobicContact CB-CG2 3.55Å; I1523-V1540 HydrophobicContact CG2-CG2 3.36Å; I1523-I1652 HydrophobicContact CD1-CB 3.82Å; I1523-I1652 HydrophobicContact CD1-CD1 4.08Å; I1523-I1652 HydrophobicContact CD1-CG2 3.83Å; I1523-I1652 HydrophobicContact CG1-CB 4.15Å; I1523-I1652 HydrophobicContact CG1-CG2 4.31Å; I1523-I1652 PolarHBondContact N-O 2.66Å; I1523-L1654 HydrophobicContact CD1-CD2 4.27Å; I1523-L1654 HydrophobicContact CD1-CG 4.49Å; I1523-L1654 HydrophobicContact CG1-CD1 4.34Å; I1523-L1654 HydrophobicContact CG1-CD2 4.4Å; I1523-L1654 HydrophobicContact CG1-CG 4.12Å; I1523-Y1666 HydrophobicContact CD1-CD1 3.88Å; I1523-Y1666 HydrophobicContact CD1-CE1 3.99Å; I1523-Y1666 HydrophobicContact CG2-CE1 4.02Å |
| 1524 | S | 80.3 | Confident | 71.8 | Confident | 27 Ų | 27 | 75 Ų | 75 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -55.5 | -17.7 | 170.1 | 76.5 | 0 | 0 | 0 | 0 | 115.3 | W1522 K1537 T1538 D1651 | W1522-S1524 PolarHBondContact O-N 3.46Å; S1524-K1537 WeakPolarHBondContact O-CE 3.42Å; S1524-K1537 WeakPolarHBondContact O-CG 3.3Å; S1524-T1538 VanDerWaalsContact CA-O 3.23Å; S1524-T1538 WeakPolarHBondContact CA-O 3.48Å; S1524-T1538 PolarHBondContact N-O 2.84Å; S1524-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1524-D1651 PolarHBondContact N-OD1 2.75Å; S1524-D1651 PolarHBondContact OG-OD2 3.13Å |
| 1525 | Q | 80.5 | Confident | 71.5 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -95.5 | -26 | 177.6 | -63.9 | 176.7 | -0.8 | 0 | 0 | 113.3 | W1521 W1522 I1523 | W1521-Q1525 HydrophobicContact CE3-CB 4.4Å; W1522-Q1525 HydrophobicContact CB-CB 4.36Å; W1522-Q1525 HydrophobicContact CB-CG 3.92Å; W1522-Q1525 WeakPolarHBondContact O-CA 3.23Å; W1522-Q1525 VanDerWaalsContact O-CB 3.31Å; W1522-Q1525 WeakPolarHBondContact O-CB 3.3Å; W1522-Q1525 PolarHBondContact O-N 3.41Å; I1523-Q1525 PolarHBondContact O-N 3.04Å |
| 1526 | L | 76.5 | Confident | 71.2 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | trans | -67.4 | 151.7 | -178.1 | -66.6 | 176.2 | 0 | 0 | 0 | 112.8 | F1512 W1521 W1522 I1523 K1537 T1538 L1654 | F1512-L1526 HydrophobicContact CB-CB 4.19Å; F1512-L1526 HydrophobicContact CB-CD1 4.21Å; F1512-L1526 HydrophobicContact CB-CD2 4.14Å; F1512-L1526 HydrophobicContact CB-CG 4.42Å; F1512-L1526 HydrophobicContact CD1-CB 3.81Å; F1512-L1526 HydrophobicContact CD1-CD1 4.33Å; F1512-L1526 HydrophobicContact CD2-CD1 4.1Å; F1512-L1526 HydrophobicContact CE1-CB 4.45Å; F1512-L1526 HydrophobicContact CG-CB 4.1Å; F1512-L1526 HydrophobicContact CG-CD1 3.96Å; F1512-L1526 HydrophobicContact CG-CG 4.49Å; W1521-L1526 HydrophobicContact CB-CD1 4.49Å; W1521-L1526 HydrophobicContact CB-CD2 3.82Å; W1521-L1526 HydrophobicContact CB-CG 4.17Å; W1521-L1526 HydrophobicContact CD2-CD2 3.89Å; W1521-L1526 HydrophobicContact CE3-CD2 3.99Å; W1521-L1526 HydrophobicContact CG-CD2 3.84Å; W1522-L1526 PolarHBondContact O-N 2.88Å; I1523-L1526 HydrophobicContact CG1-CD1 4.45Å; I1523-L1526 PolarHBondContact O-N 3.23Å; L1526-K1537 WeakPolarHBondContact O-CA 3.46Å; L1526-T1538 PolarHBondContact O-N 3.19Å; L1526-L1654 HydrophobicContact CD1-CD1 4.01Å | ||
| 1527 | K | 71.2 | Confident | 70.7 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 14% | 0.143 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.8 | 175.5 | -70.6 | -175.7 | 177.7 | -178.9 | 0 | 110.8 | D167 V1513 T1515 M1535 H1536 | D167-K1527 WeakPolarHBondContact OD1-CE 3.19Å; D167-K1527 IonicContact OD1-NZ 3.01Å; D167-K1527 PolarHBondContact OD1-NZ 3.4Å; D167-K1527 IonicContact OD2-NZ 2.71Å; V1513-K1527 PolarHBondContact N-O 2.69Å; T1515-K1527 HydrophobicContact CG2-CD 3.67Å; T1515-K1527 HydrophobicContact CG2-CG 4.02Å; K1527-M1535 HydrophobicContact CB-CB 4.28Å; K1527-M1535 HydrophobicContact CB-SD 4.16Å; K1527-M1535 HydrophobicContact CD-CB 4.28Å; K1527-M1535 HydrophobicContact CD-CE 4.27Å; K1527-H1536 CarbonylContact C-O 3.51Å; K1527-H1536 WeakPolarHBondContact CA-O 3.49Å |
| 1528 | Q | 68.8 | Low | 69.9 | Low | 47 Ų | 47 | 68.2 Ų | 68.2 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.3 | 165.4 | -75.2 | -174.2 | 9.1 | 0 | 0 | 110.5 | Q1507 T1510 F1512 K1530 M1535 H1536 | Q1507-Q1528 VanDerWaalsContact NE2-NE2 3.13Å; T1510-Q1528 HydrophobicContact CG2-CG 4.28Å; F1512-Q1528 HydrophobicContact CD1-CG 4.31Å; F1512-Q1528 HydrophobicContact CE1-CG 3.8Å; Q1528-K1530 PolarHBondContact O-N 3.23Å; Q1528-M1535 VanDerWaalsContact O-CA 3.29Å; Q1528-M1535 WeakPolarHBondContact O-CA 3.37Å; Q1528-M1535 WeakPolarHBondContact O-CB 3.39Å; Q1528-H1536 PolarHBondContact N-O 2.91Å; Q1528-H1536 PolarHBondContact O-N 3.09Å |
| 1529 | Q | 62.4 | Low | 68.7 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | trans | -86.5 | 102 | 169 | -165.3 | 175.3 | 3.6 | 0 | 0 | 110.2 | V1513 M1535 | V1513-Q1529 HydrophobicContact CG2-CB 3.97Å; V1513-Q1529 HydrophobicContact CG2-CG 4.26Å; Q1529-M1535 HydrophobicContact CB-SD 4.12Å; Q1529-M1535 HydrophobicContact CG-SD 4.32Å | ||
| 1530 | K | 63.1 | Low | 67.5 | Low | 94 Ų | 94 | 65.4 Ų | 65.4 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | trans | -79.6 | 146.3 | 168.7 | -76.2 | -172.1 | 177.6 | 172 | 0 | 110.6 | Q1528 N1532 G1533 H1536 | Q1528-K1530 PolarHBondContact O-N 3.23Å; K1530-N1532 PolarHBondContact O-N 3.45Å; K1530-G1533 PolarHBondContact O-N 2.83Å; K1530-H1536 PolarHBondContact NZ-CD2 2.98Å; K1530-H1536 VanDerWaalsContact NZ-CD2 3.33Å; K1530-H1536 PolarHBondContact NZ-NE2 3.03Å | ||
| 1531 | Q | 56.9 | Low | 65.9 | Low | 200 Ų | 200 | 64.6 Ų | 64.6 | 94% | 0.935 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.7 | 178.3 | -73.4 | -177 | -22.4 | 0 | 0 | 114.5 | ||
| 1532 | N | 57.6 | Low | 64.4 | Low | 146 Ų | 146 | 65 Ų | 65 | 78% | 0.781 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 28.5 | -179.1 | -65.1 | 5.9 | 0 | 0 | 0 | 113.6 | K1530 T1534 | K1530-N1532 PolarHBondContact O-N 3.45Å; N1532-T1534 PolarHBondContact O-N 2.85Å; N1532-T1534 PolarHBondContact O-OG1 2.75Å |
| 1533 | G | 54.9 | Low | 62.3 | Low | 70 Ų | 70 | 66.7 Ų | 66.7 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 74.4 | -18.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | K1530 M1535 | K1530-G1533 PolarHBondContact O-N 2.83Å; G1533-M1535 PolarHBondContact O-N 3.08Å |
| 1534 | T | 58.3 | Low | 60.5 | Low | 90 Ų | 90 | 68.6 Ų | 68.6 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | trans | -86.4 | 101.6 | 176.7 | 8.1 | 0 | 0 | 0 | 0 | 111.1 | N1532 | N1532-T1534 PolarHBondContact O-N 2.85Å; N1532-T1534 PolarHBondContact O-OG1 2.75Å | ||
| 1535 | M | 60.4 | Low | 58.5 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 39% | 0.389 | 38% | 0.375 | S | S | . | . | trans | -72.8 | 133.9 | 175.9 | -67.4 | -139 | -88.2 | 0 | 0 | 111.8 | V1513 K1527 Q1528 Q1529 G1533 | V1513-M1535 HydrophobicContact CB-CE 3.91Å; V1513-M1535 HydrophobicContact CB-SD 3.92Å; V1513-M1535 HydrophobicContact CG1-CE 3.9Å; V1513-M1535 HydrophobicContact CG2-CE 4.33Å; V1513-M1535 HydrophobicContact CG2-SD 3.91Å; K1527-M1535 HydrophobicContact CB-CB 4.28Å; K1527-M1535 HydrophobicContact CB-SD 4.16Å; K1527-M1535 HydrophobicContact CD-CB 4.28Å; K1527-M1535 HydrophobicContact CD-CE 4.27Å; Q1528-M1535 VanDerWaalsContact O-CA 3.29Å; Q1528-M1535 WeakPolarHBondContact O-CA 3.37Å; Q1528-M1535 WeakPolarHBondContact O-CB 3.39Å; Q1529-M1535 HydrophobicContact CB-SD 4.12Å; Q1529-M1535 HydrophobicContact CG-SD 4.32Å; G1533-M1535 PolarHBondContact O-N 3.08Å | ||
| 1536 | H | 62.7 | Low | 56.8 | Low | 73 Ų | 73 | 77.7 Ų | 77.7 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.4 | 175.6 | -83.4 | -111.7 | 0 | 0 | 0 | 110.4 | K1527 Q1528 K1530 | K1527-H1536 CarbonylContact C-O 3.51Å; K1527-H1536 WeakPolarHBondContact CA-O 3.49Å; Q1528-H1536 PolarHBondContact N-O 2.91Å; Q1528-H1536 PolarHBondContact O-N 3.09Å; K1530-H1536 PolarHBondContact NZ-CD2 2.98Å; K1530-H1536 VanDerWaalsContact NZ-CD2 3.33Å; K1530-H1536 PolarHBondContact NZ-NE2 3.03Å |
| 1537 | K | 61 | Low | 55.2 | Low | 67 Ų | 67 | 81 Ų | 81 | 29% | 0.291 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.3 | 173.6 | -170 | 161.2 | -175.8 | 133.4 | 0 | 109.8 | S1524 L1526 Q1539 | S1524-K1537 WeakPolarHBondContact O-CE 3.42Å; S1524-K1537 WeakPolarHBondContact O-CG 3.3Å; L1526-K1537 WeakPolarHBondContact O-CA 3.46Å; K1537-Q1539 VanDerWaalsContact C-N 3.34Å; K1537-Q1539 PolarHBondContact O-N 3.05Å |
| 1538 | T | 57.3 | Low | 54.2 | Low | 13 Ų | 13 | 86.5 Ų | 86.5 | 8% | 0.08 | 43% | 0.429 | C | S | . | . | trans | -83.2 | 73.5 | -173.3 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | Q1507 I1523 S1524 L1526 V1540 | Q1507-T1538 VanDerWaalsContact OE1-CG2 3.22Å; I1523-T1538 CarbonylContact C-O 3.51Å; I1523-T1538 HydrophobicContact CG2-CG2 3.8Å; S1524-T1538 VanDerWaalsContact CA-O 3.23Å; S1524-T1538 WeakPolarHBondContact CA-O 3.48Å; S1524-T1538 PolarHBondContact N-O 2.84Å; L1526-T1538 PolarHBondContact O-N 3.19Å; T1538-V1540 PolarHBondContact O-N 3.33Å | ||
| 1539 | Q | 54.9 | Low | 53.6 | Low | 110 Ų | 110 | 89.3 Ų | 89.3 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | trans | -65.5 | 93.3 | 179.3 | -73.6 | -168.2 | -98.3 | 0 | 0 | 111.7 | T1504 K1537 M1541 | T1504-Q1539 WeakPolarHBondContact CG2-O 3.26Å; K1537-Q1539 VanDerWaalsContact C-N 3.34Å; K1537-Q1539 PolarHBondContact O-N 3.05Å; Q1539-M1541 PolarHBondContact O-N 2.68Å; Q1539-M1541 VanDerWaalsContact O-N 3.11Å | ||
| 1540 | V | 52 | Low | 53.9 | Low | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | trans | -68.5 | 107.2 | 160.4 | -167.7 | 0 | 0 | 0 | 0 | 107.3 | I1523 T1538 V1650 I1652 Y1666 M1668 | I1523-V1540 HydrophobicContact CB-CG2 3.55Å; I1523-V1540 HydrophobicContact CG2-CG2 3.36Å; T1538-V1540 PolarHBondContact O-N 3.33Å; V1540-V1650 CarbonylContact C-O 3.6Å; V1540-V1650 VanDerWaalsContact O-O 3.13Å; V1540-I1652 HydrophobicContact CG1-CD1 4.4Å; V1540-Y1666 HydrophobicContact CG2-CE1 4.21Å; V1540-M1668 HydrophobicContact CG1-CE 4.01Å; V1540-M1668 HydrophobicContact CG1-SD 3.97Å | ||
| 1541 | M | 51 | Low | 54.5 | Low | 47 Ų | 47 | 84.2 Ų | 84.2 | 23% | 0.232 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -153.4 | 153.2 | 162.8 | -102.4 | 164.6 | 32.3 | 0 | 0 | 103.1 | T1504 Q1539 H1543 F1547 | T1504-M1541 WeakPolarHBondContact CB-O 3.3Å; T1504-M1541 WeakPolarHBondContact CG2-O 3.46Å; T1504-M1541 PolarHBondContact OG1-O 2.91Å; T1504-M1541 VanDerWaalsContact OG1-O 3.07Å; Q1539-M1541 PolarHBondContact O-N 2.68Å; Q1539-M1541 VanDerWaalsContact O-N 3.11Å; M1541-H1543 PolarHBondContact O-N 3Å; M1541-F1547 HydrophobicContact CB-CE2 3.97Å; M1541-F1547 HydrophobicContact CB-CZ 4.12Å; M1541-F1547 HydrophobicContact CE-CB 4.49Å; M1541-F1547 HydrophobicContact CE-CD1 3.49Å; M1541-F1547 VanDerWaalsContact CE-CD1 3.49Å; M1541-F1547 HydrophobicContact CE-CD2 3.94Å; M1541-F1547 HydrophobicContact CE-CE1 3.51Å; M1541-F1547 HydrophobicContact CE-CE2 3.96Å; M1541-F1547 HydrophobicContact CE-CG 3.71Å; M1541-F1547 HydrophobicContact CE-CZ 3.75Å; M1541-F1547 HydrophobicContact CG-CE1 4.22Å; M1541-F1547 HydrophobicContact CG-CE2 4.05Å; M1541-F1547 HydrophobicContact CG-CZ 3.67Å; M1541-F1547 HydrophobicContact SD-CD1 4.42Å; M1541-F1547 HydrophobicContact SD-CE1 3.87Å; M1541-F1547 HydrophobicContact SD-CZ 3.96Å |
| 1542 | F | 51.2 | Low | 55.5 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | trans | -69.3 | 83.1 | 168 | -70.8 | -82.7 | 0 | 0 | 0 | 108.8 | P1500 F1544 F1547 P1648 L1649 M1668 | P1500-F1542 HydrophobicContact CB-CD1 3.65Å; P1500-F1542 HydrophobicContact CB-CE1 3.78Å; P1500-F1542 HydrophobicContact CG-CE1 4.23Å; F1542-F1544 HydrophobicContact CB-CD2 4.12Å; F1542-F1544 HydrophobicContact CB-CE2 3.7Å; F1542-F1544 WeakPolarHBondContact O-CD2 3.46Å; F1542-F1544 PolarHBondContact O-N 2.88Å; F1542-F1547 VanDerWaalsContact O-CD2 3.25Å; F1542-F1547 WeakPolarHBondContact O-CD2 3.32Å; F1542-F1547 WeakPolarHBondContact O-CE2 3.4Å; F1542-P1648 HydrophobicContact CD2-CB 3.85Å; F1542-P1648 HydrophobicContact CD2-CG 3.87Å; F1542-P1648 HydrophobicContact CE2-CB 3.47Å; F1542-P1648 VanDerWaalsContact CE2-CB 3.47Å; F1542-P1648 HydrophobicContact CE2-CG 4.02Å; F1542-P1648 HydrophobicContact CZ-CB 4Å; F1542-L1649 HydrophobicContact CE2-CB 4.45Å; F1542-L1649 WeakPolarHBondContact CE2-O 3.35Å; F1542-M1668 HydrophobicContact CD1-CE 4.44Å; F1542-M1668 HydrophobicContact CE1-CE 3.61Å; F1542-M1668 HydrophobicContact CE2-CE 3.77Å; F1542-M1668 HydrophobicContact CZ-CE 3.18Å | ||
| 1543 | H | 42.3 | Very low | 56.8 | Low | 76 Ų | 76 | 69.6 Ų | 69.6 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | trans | -81 | 57.4 | -168.2 | -162.8 | 51.5 | 0 | 0 | 0 | 111.5 | S1501 T1504 M1541 H1545 | S1501-H1543 WeakPolarHBondContact CB-O 3.49Å; S1501-H1543 PolarHBondContact OG-O 3.31Å; T1504-H1543 HydrophobicContact CG2-CB 3.78Å; M1541-H1543 PolarHBondContact O-N 3Å; H1543-H1545 PolarHBondContact O-N 3.2Å | ||
| 1544 | F | 46.3 | Very low | 58.3 | Low | 44 Ų | 44 | 66.8 Ų | 66.8 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | trans | -43.6 | 131.8 | 148.5 | -55.8 | -71.2 | 0 | 0 | 0 | 106.6 | I1498 K1499 F1542 W1546 F1547 I1554 | I1498-F1544 HydrophobicContact CB-CZ 4.3Å; I1498-F1544 HydrophobicContact CG2-CE1 3.67Å; I1498-F1544 HydrophobicContact CG2-CE2 4.31Å; I1498-F1544 HydrophobicContact CG2-CZ 3.34Å; K1499-F1544 WeakPolarHBondContact O-CE1 3.48Å; K1499-F1544 WeakPolarHBondContact O-CZ 3.37Å; F1542-F1544 HydrophobicContact CB-CD2 4.12Å; F1542-F1544 HydrophobicContact CB-CE2 3.7Å; F1542-F1544 WeakPolarHBondContact O-CD2 3.46Å; F1542-F1544 PolarHBondContact O-N 2.88Å; F1544-W1546 PolarHBondContact O-N 2.85Å; F1544-F1547 PolarHBondContact O-N 3.07Å; F1544-I1554 HydrophobicContact CE2-CD1 4.47Å | ||
| 1545 | H | 39.1 | Very low | 59.8 | Low | 146 Ų | 146 | 66.6 Ų | 66.6 | 68% | 0.676 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 29.1 | -166.7 | -168.4 | -86.8 | 0 | 0 | 0 | 113.5 | H1543 | H1543-H1545 PolarHBondContact O-N 3.2Š|
| 1546 | W | 45 | Very low | 61.3 | Low | 151 Ų | 151 | 65 Ų | 65 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.7 | 20.7 | -152.2 | -51.2 | 116.8 | 0 | 0 | 0 | 111.7 | F1544 L1548 Q1549 Y1550 | F1544-W1546 PolarHBondContact O-N 2.85Å; W1546-L1548 PolarHBondContact O-N 2.99Å; W1546-Q1549 PolarHBondContact O-N 3.18Å; W1546-Y1550 HydrophobicContact CB-CD2 3.37Å; W1546-Y1550 HydrophobicContact CB-CE2 3.31Å; W1546-Y1550 AromaticContact CD1-CE2 3.58Å; W1546-Y1550 HydrophobicContact CD2-CE2 4.41Å; W1546-Y1550 HydrophobicContact CG-CD2 4.05Å; W1546-Y1550 AromaticContact CG-CE2 3.51Å; W1546-Y1550 HydrophobicContact CG-CE2 3.51Å |
| 1547 | F | 43.2 | Very low | 62.7 | Low | 71 Ų | 71 | 61.6 Ų | 61.6 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -15.9 | -157.9 | -163.4 | -99.8 | 0 | 0 | 0 | 117.7 | M1541 F1542 F1544 | M1541-F1547 HydrophobicContact CB-CE2 3.97Å; M1541-F1547 HydrophobicContact CB-CZ 4.12Å; M1541-F1547 HydrophobicContact CE-CB 4.49Å; M1541-F1547 HydrophobicContact CE-CD1 3.49Å; M1541-F1547 VanDerWaalsContact CE-CD1 3.49Å; M1541-F1547 HydrophobicContact CE-CD2 3.94Å; M1541-F1547 HydrophobicContact CE-CE1 3.51Å; M1541-F1547 HydrophobicContact CE-CE2 3.96Å; M1541-F1547 HydrophobicContact CE-CG 3.71Å; M1541-F1547 HydrophobicContact CE-CZ 3.75Å; M1541-F1547 HydrophobicContact CG-CE1 4.22Å; M1541-F1547 HydrophobicContact CG-CE2 4.05Å; M1541-F1547 HydrophobicContact CG-CZ 3.67Å; M1541-F1547 HydrophobicContact SD-CD1 4.42Å; M1541-F1547 HydrophobicContact SD-CE1 3.87Å; M1541-F1547 HydrophobicContact SD-CZ 3.96Å; F1542-F1547 VanDerWaalsContact O-CD2 3.25Å; F1542-F1547 WeakPolarHBondContact O-CD2 3.32Å; F1542-F1547 WeakPolarHBondContact O-CE2 3.4Å; F1544-F1547 PolarHBondContact O-N 3.07Å |
| 1548 | L | 50.6 | Low | 64.2 | Low | 149 Ų | 149 | 59 Ų | 59 | 78% | 0.78 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -21.5 | 172.5 | -71.9 | 170.5 | 0 | 0 | 0 | 114.2 | W1546 | W1546-L1548 PolarHBondContact O-N 2.99Š|
| 1549 | Q | 54.6 | Low | 65.8 | Low | 107 Ų | 107 | 63.3 Ų | 63.3 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -37.7 | -173 | -167.1 | 157.8 | -8.9 | 0 | 0 | 112.5 | W1546 | W1546-Q1549 PolarHBondContact O-N 3.18Š|
| 1550 | Y | 68.6 | Low | 67.6 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -89 | -6.3 | -174.6 | -66.5 | -86 | 0 | 0 | 0 | 115.5 | D1479 F1481 W1546 G1552 L1553 I1554 | D1479-Y1550 WeakPolarHBondContact O-CE1 3.46Å; F1481-Y1550 HydrophobicContact CB-CD1 4.16Å; F1481-Y1550 HydrophobicContact CB-CE1 3.56Å; F1481-Y1550 AromaticContact CD1-CD1 3.92Å; F1481-Y1550 HydrophobicContact CD1-CD1 3.92Å; F1481-Y1550 AromaticContact CD1-CE1 3.88Å; F1481-Y1550 HydrophobicContact CD1-CE1 3.88Å; F1481-Y1550 AromaticContact CG-CD1 3.99Å; F1481-Y1550 HydrophobicContact CG-CD1 3.99Å; F1481-Y1550 AromaticContact CG-CE1 3.86Å; F1481-Y1550 HydrophobicContact CG-CE1 3.86Å; W1546-Y1550 HydrophobicContact CB-CD2 3.37Å; W1546-Y1550 HydrophobicContact CB-CE2 3.31Å; W1546-Y1550 AromaticContact CD1-CE2 3.58Å; W1546-Y1550 HydrophobicContact CD2-CE2 4.41Å; W1546-Y1550 HydrophobicContact CG-CD2 4.05Å; W1546-Y1550 AromaticContact CG-CE2 3.51Å; W1546-Y1550 HydrophobicContact CG-CE2 3.51Å; Y1550-G1552 VanDerWaalsContact C-N 3.28Å; Y1550-G1552 PolarHBondContact O-N 2.86Å; Y1550-L1553 HydrophobicContact CD1-CB 4.24Å; Y1550-L1553 HydrophobicContact CD1-CD1 3.25Å; Y1550-L1553 HydrophobicContact CD1-CG 4.3Å; Y1550-L1553 HydrophobicContact CE1-CD1 3.47Å; Y1550-L1553 VanDerWaalsContact CE1-CD1 3.47Å; Y1550-L1553 HydrophobicContact CG-CD1 4.05Å; Y1550-L1553 PolarHBondContact O-N 3.38Å; Y1550-I1554 WeakPolarHBondContact O-CG1 3.31Å; Y1550-I1554 PolarHBondContact O-N 3.26Å |
| 1551 | F | 76.1 | Confident | 69.6 | Low | 82 Ų | 82 | 61.3 Ų | 61.3 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 176.3 | -162.3 | -85.1 | 0 | 0 | 0 | 111.6 | R1555 F1595 | F1551-R1555 HydrophobicContact CD1-CG 4.39Å; F1551-R1555 HydrophobicContact CE1-CG 4.37Å; F1551-R1555 WeakPolarHBondContact O-CG 3.25Å; F1551-R1555 PolarHBondContact O-N 2.91Å; F1551-R1555 VanDerWaalsContact O-N 3.16Å; F1551-F1595 HydrophobicContact CD1-CE1 4.48Å; F1551-F1595 HydrophobicContact CD1-CZ 4.05Å; F1551-F1595 AromaticContact CD2-CE2 3.69Å; F1551-F1595 HydrophobicContact CD2-CE2 3.69Å; F1551-F1595 AromaticContact CD2-CZ 3.55Å; F1551-F1595 HydrophobicContact CD2-CZ 3.55Å; F1551-F1595 AromaticContact CE1-CE1 3.89Å; F1551-F1595 HydrophobicContact CE1-CE1 3.89Å; F1551-F1595 AromaticContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE2-CD2 4.08Å; F1551-F1595 AromaticContact CE2-CE1 3.94Å; F1551-F1595 HydrophobicContact CE2-CE1 3.94Å; F1551-F1595 AromaticContact CE2-CE2 3.33Å; F1551-F1595 HydrophobicContact CE2-CE2 3.33Å; F1551-F1595 AromaticContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CG-CE2 4.5Å; F1551-F1595 AromaticContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CZ-CD1 4.22Å; F1551-F1595 HydrophobicContact CZ-CD2 4.49Å; F1551-F1595 AromaticContact CZ-CE1 3.58Å; F1551-F1595 HydrophobicContact CZ-CE1 3.58Å; F1551-F1595 AromaticContact CZ-CE2 3.89Å; F1551-F1595 HydrophobicContact CZ-CE2 3.89Å; F1551-F1595 AromaticContact CZ-CZ 3.39Å; F1551-F1595 HydrophobicContact CZ-CZ 3.39Å |
| 1552 | G | 77.8 | Confident | 71.5 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -48.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1550 I1554 R1555 Y1556 | Y1550-G1552 VanDerWaalsContact C-N 3.28Å; Y1550-G1552 PolarHBondContact O-N 2.86Å; G1552-I1554 VanDerWaalsContact C-N 3.3Å; G1552-I1554 PolarHBondContact O-N 3.23Å; G1552-R1555 WeakPolarHBondContact O-CA 3.21Å; G1552-R1555 WeakPolarHBondContact O-CB 3.28Å; G1552-R1555 PolarHBondContact O-N 3.42Å; G1552-Y1556 VanDerWaalsContact O-CD2 3.28Å; G1552-Y1556 WeakPolarHBondContact O-CD2 3.07Å; G1552-Y1556 PolarHBondContact O-N 3.4Å |
| 1553 | L | 85.8 | Confident | 73.6 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.7 | -39.7 | 178.2 | -75.2 | 150.2 | 0 | 0 | 0 | 112.7 | P1472 N1473 D1479 F1481 Y1550 Y1556 L1557 | P1472-L1553 HydrophobicContact CG-CB 4.32Å; P1472-L1553 HydrophobicContact CG-CD2 3.76Å; P1472-L1553 WeakPolarHBondContact CG-O 3.44Å; N1473-L1553 WeakPolarHBondContact OD1-CD2 3.44Å; D1479-L1553 HydrophobicContact CB-CD1 4.35Å; D1479-L1553 WeakPolarHBondContact O-CD1 3.33Å; F1481-L1553 HydrophobicContact CD1-CB 4.43Å; F1481-L1553 HydrophobicContact CD1-CD1 4.34Å; F1481-L1553 HydrophobicContact CD1-CD2 4.06Å; F1481-L1553 HydrophobicContact CE1-CB 3.82Å; F1481-L1553 HydrophobicContact CE1-CD2 3.81Å; F1481-L1553 HydrophobicContact CE1-CG 4.28Å; F1481-L1553 HydrophobicContact CZ-CB 4.46Å; Y1550-L1553 HydrophobicContact CD1-CB 4.24Å; Y1550-L1553 HydrophobicContact CD1-CD1 3.25Å; Y1550-L1553 HydrophobicContact CD1-CG 4.3Å; Y1550-L1553 HydrophobicContact CE1-CD1 3.47Å; Y1550-L1553 VanDerWaalsContact CE1-CD1 3.47Å; Y1550-L1553 HydrophobicContact CG-CD1 4.05Å; Y1550-L1553 PolarHBondContact O-N 3.38Å; L1553-Y1556 PolarHBondContact O-N 2.91Å; L1553-L1557 PolarHBondContact O-N 2.92Å; L1553-L1557 VanDerWaalsContact O-N 3.13Å |
| 1554 | I | 87.1 | Confident | 76 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 172.5 | -65.8 | 171.4 | 0 | 0 | 0 | 111.6 | I1498 F1544 Y1550 G1552 Y1556 L1557 Q1558 F1595 F1673 | I1498-I1554 HydrophobicContact CD1-CG1 4Å; F1544-I1554 HydrophobicContact CE2-CD1 4.47Å; Y1550-I1554 WeakPolarHBondContact O-CG1 3.31Å; Y1550-I1554 PolarHBondContact O-N 3.26Å; G1552-I1554 VanDerWaalsContact C-N 3.3Å; G1552-I1554 PolarHBondContact O-N 3.23Å; I1554-Y1556 VanDerWaalsContact C-N 3.28Å; I1554-Y1556 PolarHBondContact O-N 2.83Å; I1554-L1557 PolarHBondContact O-N 2.96Å; I1554-L1557 VanDerWaalsContact O-N 3.16Å; I1554-Q1558 HydrophobicContact CG2-CG 4.33Å; I1554-Q1558 VanDerWaalsContact O-CG 3.3Å; I1554-Q1558 WeakPolarHBondContact O-CG 3.3Å; I1554-Q1558 PolarHBondContact O-N 3.1Å; I1554-F1595 HydrophobicContact CB-CZ 4.08Å; I1554-F1595 HydrophobicContact CD1-CE2 4.41Å; I1554-F1595 HydrophobicContact CG2-CE1 4.09Å; I1554-F1595 HydrophobicContact CG2-CE2 4.05Å; I1554-F1595 HydrophobicContact CG2-CZ 3.67Å; I1554-F1673 HydrophobicContact CG2-CZ 4.34Å |
| 1555 | R | 89 | Confident | 78.4 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 174.4 | -74.4 | -81 | -177.7 | -135.2 | 1.8 | 111.8 | F1551 G1552 Q1558 L1559 F1595 | F1551-R1555 HydrophobicContact CD1-CG 4.39Å; F1551-R1555 HydrophobicContact CE1-CG 4.37Å; F1551-R1555 WeakPolarHBondContact O-CG 3.25Å; F1551-R1555 PolarHBondContact O-N 2.91Å; F1551-R1555 VanDerWaalsContact O-N 3.16Å; G1552-R1555 WeakPolarHBondContact O-CA 3.21Å; G1552-R1555 WeakPolarHBondContact O-CB 3.28Å; G1552-R1555 PolarHBondContact O-N 3.42Å; R1555-Q1558 PolarHBondContact O-N 2.68Å; R1555-L1559 WeakPolarHBondContact O-CG 3.28Å; R1555-L1559 PolarHBondContact O-N 3.39Å; R1555-F1595 HydrophobicContact CG-CE1 4.26Å; R1555-F1595 VanDerWaalsContact CZ-CE1 3.5Å |
| 1556 | Y | 91.7 | Very high | 81 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 18% | 0.18 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 172.8 | -79.3 | -82.4 | 0 | 0 | 0 | 112.4 | N1473 G1552 L1553 I1554 Q1558 L1559 L1560 | N1473-Y1556 HydrophobicContact CB-CD1 4.33Å; N1473-Y1556 HydrophobicContact CB-CD2 3.5Å; N1473-Y1556 HydrophobicContact CB-CE1 4.32Å; N1473-Y1556 HydrophobicContact CB-CE2 3.49Å; N1473-Y1556 VanDerWaalsContact CB-CE2 3.49Å; N1473-Y1556 HydrophobicContact CB-CG 3.95Å; G1552-Y1556 VanDerWaalsContact O-CD2 3.28Å; G1552-Y1556 WeakPolarHBondContact O-CD2 3.07Å; G1552-Y1556 PolarHBondContact O-N 3.4Å; L1553-Y1556 PolarHBondContact O-N 2.91Å; I1554-Y1556 VanDerWaalsContact C-N 3.28Å; I1554-Y1556 PolarHBondContact O-N 2.83Å; Y1556-Q1558 VanDerWaalsContact C-N 3.28Å; Y1556-Q1558 PolarHBondContact O-N 2.97Å; Y1556-L1559 PolarHBondContact O-N 2.9Å; Y1556-L1560 WeakPolarHBondContact O-CG 3.41Å; Y1556-L1560 PolarHBondContact O-N 2.85Å |
| 1557 | L | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 173.2 | -78.6 | 172.6 | 0 | 0 | 0 | 112.8 | H1449 I1470 P1472 F1481 T1496 I1498 L1553 I1554 L1559 L1560 H1561 F1673 | H1449-L1557 HydrophobicContact CB-CD2 4.19Å; I1470-L1557 HydrophobicContact CD1-CD1 4.07Å; I1470-L1557 HydrophobicContact CD1-CD2 3.96Å; I1470-L1557 HydrophobicContact CD1-CG 4.44Å; P1472-L1557 HydrophobicContact CB-CD2 4.09Å; P1472-L1557 HydrophobicContact CB-CG 3.96Å; P1472-L1557 HydrophobicContact CG-CD2 4.48Å; P1472-L1557 HydrophobicContact CG-CG 4Å; F1481-L1557 HydrophobicContact CZ-CD1 3.86Å; T1496-L1557 HydrophobicContact CG2-CD1 4.16Å; T1496-L1557 HydrophobicContact CG2-CD2 3.76Å; I1498-L1557 HydrophobicContact CD1-CD1 3.6Å; I1498-L1557 HydrophobicContact CG1-CD1 4.24Å; L1553-L1557 PolarHBondContact O-N 2.92Å; L1553-L1557 VanDerWaalsContact O-N 3.13Å; I1554-L1557 PolarHBondContact O-N 2.96Å; I1554-L1557 VanDerWaalsContact O-N 3.16Å; L1557-L1559 PolarHBondContact O-N 3.17Å; L1557-L1560 PolarHBondContact O-N 3.2Å; L1557-H1561 VanDerWaalsContact CD2-CE1 3.48Å; L1557-H1561 WeakPolarHBondContact CD2-CE1 3.34Å; L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.41Å; L1557-F1673 HydrophobicContact CB-CD2 4.43Å; L1557-F1673 HydrophobicContact CD1-CD2 4.4Å |
| 1558 | Q | 91.8 | Very high | 85.7 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -24.8 | 176.2 | -70.3 | 170.8 | -10.6 | 0 | 0 | 113.6 | I1554 R1555 Y1556 F1595 P1644 L1647 F1673 | I1554-Q1558 HydrophobicContact CG2-CG 4.33Å; I1554-Q1558 VanDerWaalsContact O-CG 3.3Å; I1554-Q1558 WeakPolarHBondContact O-CG 3.3Å; I1554-Q1558 PolarHBondContact O-N 3.1Å; R1555-Q1558 PolarHBondContact O-N 2.68Å; Y1556-Q1558 VanDerWaalsContact C-N 3.28Å; Y1556-Q1558 PolarHBondContact O-N 2.97Å; Q1558-F1595 VanDerWaalsContact NE2-CE1 3.34Å; Q1558-P1644 HydrophobicContact CB-CB 4.02Å; Q1558-P1644 HydrophobicContact CG-CB 4.11Å; Q1558-P1644 PolarHBondContact NE2-O 3.46Å; Q1558-L1647 PolarHBondContact NE2-O 2.81Å; Q1558-F1673 HydrophobicContact CG-CE1 3.86Å; Q1558-F1673 HydrophobicContact CG-CZ 4.4Å |
| 1559 | L | 91.9 | Very high | 87.9 | Confident | 103 Ų | 103 | 41.8 Ų | 41.8 | 54% | 0.539 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -85.3 | -21.2 | 175.6 | -68.9 | 172.1 | 0 | 0 | 0 | 113.3 | V329 R1555 Y1556 L1557 | V329-L1559 HydrophobicContact CG1-CD2 4.2Å; V329-L1559 HydrophobicContact CG2-CD1 4.19Å; V329-L1559 HydrophobicContact CG2-CD2 4.09Å; R1555-L1559 WeakPolarHBondContact O-CG 3.28Å; R1555-L1559 PolarHBondContact O-N 3.39Å; Y1556-L1559 PolarHBondContact O-N 2.9Å; L1557-L1559 PolarHBondContact O-N 3.17Å |
| 1560 | L | 92.2 | Very high | 89.8 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.277 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -92 | -24.4 | -176.2 | -66.9 | 168 | 0 | 0 | 0 | 113.7 | R1448 P1472 Y1556 L1557 | R1448-L1560 HydrophobicContact CG-CD1 3.76Å; P1472-L1560 HydrophobicContact CB-CD1 4.1Å; Y1556-L1560 WeakPolarHBondContact O-CG 3.41Å; Y1556-L1560 PolarHBondContact O-N 2.85Å; L1557-L1560 PolarHBondContact O-N 3.2Å |
| 1561 | H | 94 | Very high | 91 | Very high | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | trans | -107.8 | 163 | -176.2 | -60.9 | 84.6 | 0 | 0 | 0 | 111.6 | H1449 T1496 L1557 P1644 F1673 S1674 | H1449-H1561 AromaticContact CD2-CE1 3.6Å; H1449-H1561 AromaticContact CD2-NE2 3.68Å; T1496-H1561 PolarHBondContact OG1-NE2 3.38Å; L1557-H1561 VanDerWaalsContact CD2-CE1 3.48Å; L1557-H1561 WeakPolarHBondContact CD2-CE1 3.34Å; L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.41Å; H1561-P1644 WeakPolarHBondContact O-CG 3.46Å; H1561-F1673 HydrophobicContact CB-CB 3.87Å; H1561-F1673 VanDerWaalsContact CD2-C 3.41Å; H1561-F1673 PolarHBondContact CD2-O 3.34Å; H1561-F1673 VanDerWaalsContact CG-CB 3.49Å; H1561-S1674 PolarHBondContact CD2-N 3.47Å | ||
| 1562 | S | 92 | Very high | 91.9 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -99.1 | -22.6 | -178.7 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | S1674 | S1562-S1674 PolarHBondContact N-O 3.34Å; S1562-S1674 PolarHBondContact OG-O 3.06Å |
| 1563 | K | 93.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | trans | -145.6 | 148.8 | -171 | 170.5 | -176.4 | 173.9 | -110.4 | 0 | 109.6 | E1565 A1641 F1673 S1674 | K1563-E1565 WeakPolarHBondContact CE-OE1 3.42Å; K1563-E1565 HydrophobicContact CG-CG 4.5Å; K1563-E1565 IonicContact NZ-OE1 2.71Å; K1563-E1565 PolarHBondContact NZ-OE1 3.2Å; K1563-E1565 IonicContact NZ-OE2 3.44Å; K1563-E1565 PolarHBondContact NZ-OE2 3.5Å; K1563-A1641 CarbonylContact C-O 3.45Å; K1563-A1641 VanDerWaalsContact CA-O 3.29Å; K1563-A1641 WeakPolarHBondContact CA-O 3.16Å; K1563-F1673 WeakPolarHBondContact O-CA 3.31Å; K1563-S1674 WeakPolarHBondContact CB-OG 3.47Å; K1563-S1674 PolarHBondContact N-O 3.49Å; K1563-S1674 PolarHBondContact O-N 3.25Å | ||
| 1564 | A | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A1641 P1644 L1647 C1672 F1673 | A1564-A1641 HydrophobicContact CB-CB 4.48Å; A1564-A1641 PolarHBondContact N-O 2.96Å; A1564-A1641 PolarHBondContact O-N 2.85Å; A1564-P1644 HydrophobicContact CB-CB 4.27Å; A1564-L1647 HydrophobicContact CB-CB 4.02Å; A1564-L1647 HydrophobicContact CB-CD1 4.04Å; A1564-C1672 CarbonylContact C-O 3.6Å; A1564-C1672 VanDerWaalsContact CA-O 3.31Å; A1564-C1672 WeakPolarHBondContact CA-O 3.28Å; A1564-F1673 HydrophobicContact CB-CD1 3.69Å; A1564-F1673 HydrophobicContact CB-CE1 3.76Å |
| 1565 | E | 95.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 35 Ų | 35 | 21% | 0.206 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.7 | 176.1 | -72.8 | -177.2 | 154.1 | 0 | 0 | 111 | K1563 F1639 V1640 V1671 C1672 | K1563-E1565 WeakPolarHBondContact CE-OE1 3.42Å; K1563-E1565 HydrophobicContact CG-CG 4.5Å; K1563-E1565 IonicContact NZ-OE1 2.71Å; K1563-E1565 PolarHBondContact NZ-OE1 3.2Å; K1563-E1565 IonicContact NZ-OE2 3.44Å; K1563-E1565 PolarHBondContact NZ-OE2 3.5Å; E1565-F1639 VanDerWaalsContact CA-O 3.31Å; E1565-F1639 WeakPolarHBondContact CA-O 3.45Å; E1565-V1640 HydrophobicContact CG-CB 4.28Å; E1565-V1640 HydrophobicContact CG-CG1 4Å; E1565-V1640 HydrophobicContact CG-CG2 4.07Å; E1565-V1640 WeakPolarHBondContact OE1-CG1 3.41Å; E1565-V1640 WeakPolarHBondContact OE1-CG2 3.47Å; E1565-V1671 WeakPolarHBondContact O-CA 3.24Å; E1565-C1672 PolarHBondContact N-O 3.49Å; E1565-C1672 PolarHBondContact O-N 3.47Å |
| 1566 | Q | 93.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.8 | 174.5 | -178.8 | 151 | 54.9 | 0 | 0 | 110.9 | F1639 L1647 D1669 V1671 | Q1566-F1639 PolarHBondContact N-O 2.81Å; Q1566-F1639 PolarHBondContact O-N 3.01Å; Q1566-L1647 HydrophobicContact CB-CD1 4.15Å; Q1566-L1647 HydrophobicContact CB-CD2 4.33Å; Q1566-D1669 PolarHBondContact NE2-O 3.08Å; Q1566-D1669 VanDerWaalsContact NE2-O 3.12Å; Q1566-V1671 HydrophobicContact CB-CB 4.48Å |
| 1567 | I | 94.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 29.2 Ų | 29.2 | 32% | 0.318 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.9 | 177.8 | -60.3 | 173.5 | 0 | 0 | 0 | 109.6 | V1636 F1637 E1638 D1669 | I1567-V1636 HydrophobicContact CG2-CG1 3.69Å; I1567-F1637 WeakPolarHBondContact CA-O 3.42Å; I1567-E1638 HydrophobicContact CG1-CB 4.35Å; I1567-E1638 HydrophobicContact CG1-CG 4.08Å; I1567-D1669 HydrophobicContact CB-CB 4.12Å; I1567-D1669 WeakPolarHBondContact O-CB 3.13Å; I1567-D1669 PolarHBondContact O-N 2.97Å |
| 1568 | I | 93.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.7 | 167.3 | -174.2 | 170.9 | 0 | 0 | 0 | 110.2 | F1570 F1637 F1639 L1649 I1652 Y1666 Y1667 M1668 | I1568-F1570 HydrophobicContact CD1-CE1 4.12Å; I1568-F1570 HydrophobicContact CD1-CE2 3.93Å; I1568-F1570 HydrophobicContact CD1-CZ 3.59Å; I1568-F1570 HydrophobicContact CG1-CE2 4.1Å; I1568-F1570 HydrophobicContact CG1-CZ 4.22Å; I1568-F1570 HydrophobicContact CG2-CE2 3.92Å; I1568-F1637 HydrophobicContact CG2-CB 3.84Å; I1568-F1637 PolarHBondContact N-O 2.65Å; I1568-F1637 PolarHBondContact O-N 2.83Å; I1568-F1639 HydrophobicContact CG2-CD2 4.46Å; I1568-F1639 HydrophobicContact CG2-CE2 3.8Å; I1568-L1649 HydrophobicContact CG2-CD1 4.36Å; I1568-I1652 HydrophobicContact CD1-CD1 3.31Å; I1568-I1652 HydrophobicContact CD1-CG1 4.3Å; I1568-Y1666 HydrophobicContact CD1-CD2 4.36Å; I1568-Y1666 HydrophobicContact CD1-CG 4.48Å; I1568-Y1667 CarbonylContact C-O 3.41Å; I1568-Y1667 WeakPolarHBondContact CA-O 3.27Å; I1568-M1668 HydrophobicContact CB-CG 4.32Å; I1568-M1668 HydrophobicContact CD1-CG 3.52Å; I1568-M1668 HydrophobicContact CD1-SD 4.17Å; I1568-M1668 HydrophobicContact CG1-CG 3.77Å |
| 1569 | T | 95.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 20% | 0.202 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 108.5 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | S1635 V1636 Y1666 Y1667 | T1569-S1635 CarbonylContact C-O 3.27Å; T1569-S1635 WeakPolarHBondContact CA-O 3.38Å; T1569-V1636 HydrophobicContact CG2-CG2 4.04Å; T1569-Y1666 CarbonylContact O-C 3.53Å; T1569-Y1666 VanDerWaalsContact O-CA 3.25Å; T1569-Y1666 WeakPolarHBondContact O-CA 3.36Å; T1569-Y1667 PolarHBondContact N-O 3.1Å; T1569-Y1667 PolarHBondContact O-N 3.32Å |
| 1570 | F | 94.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.3 | 169.8 | -68.1 | -82.6 | 0 | 0 | 0 | 109.7 | I1568 V1577 V1590 S1634 S1635 F1637 I1652 I1664 G1665 | I1568-F1570 HydrophobicContact CD1-CE1 4.12Å; I1568-F1570 HydrophobicContact CD1-CE2 3.93Å; I1568-F1570 HydrophobicContact CD1-CZ 3.59Å; I1568-F1570 HydrophobicContact CG1-CE2 4.1Å; I1568-F1570 HydrophobicContact CG1-CZ 4.22Å; I1568-F1570 HydrophobicContact CG2-CE2 3.92Å; F1570-V1577 HydrophobicContact CB-CG1 4.32Å; F1570-V1577 HydrophobicContact CB-CG2 4.16Å; F1570-V1577 HydrophobicContact CD1-CG1 4.37Å; F1570-V1577 HydrophobicContact CG-CG1 4.27Å; F1570-V1590 HydrophobicContact CD2-CG2 4.44Å; F1570-V1590 HydrophobicContact CE1-CG1 4.32Å; F1570-V1590 HydrophobicContact CE2-CG2 3.92Å; F1570-V1590 HydrophobicContact CZ-CG1 4.03Å; F1570-V1590 HydrophobicContact CZ-CG2 4.21Å; F1570-S1634 CarbonylContact O-C 3.59Å; F1570-S1634 WeakPolarHBondContact O-CA 3.24Å; F1570-S1635 PolarHBondContact N-O 3.23Å; F1570-S1635 PolarHBondContact O-N 3.42Å; F1570-F1637 AromaticContact CD2-CD2 3.66Å; F1570-F1637 HydrophobicContact CD2-CD2 3.66Å; F1570-F1637 AromaticContact CD2-CE2 3.59Å; F1570-F1637 HydrophobicContact CD2-CE2 3.59Å; F1570-F1637 AromaticContact CE2-CD2 3.91Å; F1570-F1637 HydrophobicContact CE2-CD2 3.91Å; F1570-F1637 AromaticContact CE2-CE2 3.98Å; F1570-F1637 HydrophobicContact CE2-CE2 3.98Å; F1570-I1652 HydrophobicContact CE1-CD1 4.31Å; F1570-I1652 HydrophobicContact CE1-CG2 3.96Å; F1570-I1652 HydrophobicContact CZ-CD1 4.09Å; F1570-I1652 HydrophobicContact CZ-CG1 4.4Å; F1570-I1652 HydrophobicContact CZ-CG2 3.73Å; F1570-I1664 HydrophobicContact CD1-CD1 4.07Å; F1570-I1664 HydrophobicContact CD1-CG1 4.46Å; F1570-G1665 CarbonylContact C-O 3.52Å; F1570-G1665 WeakPolarHBondContact CA-O 3.08Å |
| 1571 | T | 95 | Very high | 93.9 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 166.6 | -55.8 | 0 | 0 | 0 | 0 | 108 | L1509 K1632 I1664 G1665 | L1509-T1571 HydrophobicContact CD1-CG2 4.19Å; T1571-K1632 HydrophobicContact CG2-CD 3.55Å; T1571-K1632 HydrophobicContact CG2-CG 3.63Å; T1571-I1664 CarbonylContact O-C 3.55Å; T1571-I1664 WeakPolarHBondContact O-CA 3.1Å; T1571-G1665 PolarHBondContact N-O 3.11Å; T1571-G1665 PolarHBondContact O-N 3.08Å; T1571-G1665 VanDerWaalsContact O-O 3.1Å |
| 1572 | C | 94.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153 | -173.7 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | T1575 C1625 K1632 A1633 | C1572-T1575 VanDerWaalsContact CB-O 3.3Å; C1572-T1575 WeakPolarHBondContact CB-O 3.45Å; C1572-C1625 HydrophobicContact CB-CB 3.9Å; C1572-C1625 WeakPolarHBondContact CB-SG 3.43Å; C1572-C1625 VanDerWaalsContact SG-CA 3.5Å; C1572-C1625 WeakPolarHBondContact SG-CB 3.39Å; C1572-C1625 CovalentContact SG-SG 2.02Å; C1572-C1625 PolarHBondContact SG-SG 3.49Å; C1572-K1632 WeakPolarHBondContact O-CA 3.2Å; C1572-A1633 PolarHBondContact N-O 2.88Å; C1572-A1633 PolarHBondContact O-N 3.1Å; C1572-A1633 VanDerWaalsContact O-N 3.13Å; C1572-A1633 PolarHBondContact SG-O 3.33Å; C1572-A1633 VanDerWaalsContact SG-O 3.38Å |
| 1573 | R | 94.7 | Very high | 93.4 | Very high | 78 Ų | 78 | 33.1 Ų | 33.1 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 130.1 | 161.2 | -156.1 | -176.3 | 86 | -154.8 | -3.5 | 108.4 | L1509 T1575 K1630 E1663 | L1509-R1573 HydrophobicContact CD1-CB 4.24Å; L1509-R1573 HydrophobicContact CD2-CB 4.11Å; R1573-T1575 PolarHBondContact O-N 3.34Å; R1573-T1575 PolarHBondContact O-OG1 3.28Å; R1573-K1630 VanDerWaalsContact CD-O 3.28Å; R1573-K1630 WeakPolarHBondContact CD-O 3.48Å; R1573-K1630 WeakPolarHBondContact CG-O 3.37Å; R1573-E1663 HydrophobicContact CB-CB 4.19Å; R1573-E1663 IonicContact CZ-OE1 2.86Å; R1573-E1663 IonicContact CZ-OE2 2.86Å; R1573-E1663 PolarHBondContact N-O 3.46Å; R1573-E1663 IonicContact NE-OE2 2.62Å; R1573-E1663 IonicContact NH1-OE1 3.12Å; R1573-E1663 PolarHBondContact NH1-OE1 3.03Å; R1573-E1663 IonicContact NH1-OE2 3.83Å; R1573-E1663 PolarHBondContact NH1-OE2 3.11Å; R1573-E1663 IonicContact NH2-OE1 3.83Å; R1573-E1663 PolarHBondContact NH2-OE1 3.11Å; R1573-E1663 IonicContact NH2-OE2 3.93Å; R1573-E1663 PolarHBondContact O-N 3.18Å; R1573-E1663 VanDerWaalsContact O-O 3.11Å |
| 1574 | N | 92.7 | Very high | 93.3 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 54.1 | 16.4 | -175.4 | -153.6 | 54 | 0 | 0 | 0 | 115.7 | R1628 S1629 D1661 | N1574-R1628 PolarHBondContact OD1-O 3.11Å; N1574-S1629 WeakPolarHBondContact CA-O 2.98Å; N1574-S1629 PolarHBondContact N-O 3.25Å; N1574-D1661 PolarHBondContact ND2-OD1 3.44Å; N1574-D1661 PolarHBondContact ND2-OD2 3.26Å |
| 1575 | T | 92.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | trans | -133.4 | 113.5 | -166.2 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | C1572 R1573 F1657 Q1662 E1663 | C1572-T1575 VanDerWaalsContact CB-O 3.3Å; C1572-T1575 WeakPolarHBondContact CB-O 3.45Å; R1573-T1575 PolarHBondContact O-N 3.34Å; R1573-T1575 PolarHBondContact O-OG1 3.28Å; T1575-F1657 HydrophobicContact CG2-CD2 3.64Å; T1575-F1657 HydrophobicContact CG2-CE2 3.82Å; T1575-Q1662 WeakPolarHBondContact OG1-CB 2.99Å; T1575-E1663 PolarHBondContact OG1-N 2.7Å; T1575-E1663 PolarHBondContact OG1-O 3.42Å | ||
| 1576 | P | 92.7 | Very high | 93 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | trans | -72.9 | 145.2 | 169.2 | 31.5 | -31.7 | 0 | 0 | 0 | 110.2 | D1580 N1588 C1625 | P1576-D1580 HydrophobicContact CB-CB 4.04Å; P1576-D1580 HydrophobicContact CG-CB 4.12Å; P1576-N1588 HydrophobicContact CB-CB 4.27Å; P1576-N1588 HydrophobicContact CG-CB 3.87Å; P1576-C1625 WeakPolarHBondContact CA-O 3.46Å | ||
| 1577 | V | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -124 | -7.6 | 175.5 | -90.4 | 0 | 0 | 0 | 0 | 113.4 | F1570 N1588 A1589 V1590 C1625 I1664 | F1570-V1577 HydrophobicContact CB-CG1 4.32Å; F1570-V1577 HydrophobicContact CB-CG2 4.16Å; F1570-V1577 HydrophobicContact CD1-CG1 4.37Å; F1570-V1577 HydrophobicContact CG-CG1 4.27Å; V1577-N1588 CarbonylContact C-O 3.51Å; V1577-N1588 VanDerWaalsContact C-O 3.27Å; V1577-A1589 WeakPolarHBondContact O-CA 3.39Å; V1577-V1590 HydrophobicContact CB-CG2 4.31Å; V1577-V1590 WeakPolarHBondContact O-CG2 3.08Å; V1577-V1590 PolarHBondContact O-N 3.27Å; V1577-C1625 HydrophobicContact CG2-CB 3.38Å; V1577-C1625 VanDerWaalsContact CG2-SG 3.57Å; V1577-I1664 HydrophobicContact CG1-CD1 3.49Å; V1577-I1664 VanDerWaalsContact CG1-CD1 3.49Å |
| 1578 | Y | 94.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -141.6 | -80.5 | 176.6 | -168.4 | -115.3 | 0 | 0 | 0 | 111.5 | Y1586 A1589 V1621 D1623 F1637 | Y1578-Y1586 HydrophobicContact CD1-CD1 4.05Å; Y1578-Y1586 AromaticContact CD1-CE1 3.85Å; Y1578-Y1586 HydrophobicContact CD1-CE1 3.85Å; Y1578-Y1586 AromaticContact CE1-CD1 3.95Å; Y1578-Y1586 HydrophobicContact CE1-CD1 3.95Å; Y1578-Y1586 AromaticContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CG-CD1 4.41Å; Y1578-A1589 HydrophobicContact CD2-CB 3.95Å; Y1578-A1589 HydrophobicContact CE2-CB 4.38Å; Y1578-A1589 PolarHBondContact O-N 2.91Å; Y1578-V1621 HydrophobicContact CD1-CB 4.43Å; Y1578-V1621 HydrophobicContact CD1-CG1 3.85Å; Y1578-V1621 HydrophobicContact CD2-CG1 4.33Å; Y1578-V1621 HydrophobicContact CD2-CG2 4.49Å; Y1578-V1621 HydrophobicContact CE1-CB 4.2Å; Y1578-V1621 HydrophobicContact CE1-CG1 4.13Å; Y1578-V1621 HydrophobicContact CE1-CG2 4.33Å; Y1578-V1621 HydrophobicContact CE2-CG2 4.06Å; Y1578-V1621 HydrophobicContact CG-CG1 3.95Å; Y1578-D1623 WeakPolarHBondContact CB-OD2 3.2Å; Y1578-D1623 HydrophobicContact CD1-CB 4.39Å; Y1578-F1637 AromaticContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CZ 4.04Å; Y1578-F1637 HydrophobicContact CE2-CE1 4.33Å; Y1578-F1637 HydrophobicContact CG-CE1 4.37Å; Y1578-F1637 HydrophobicContact CG-CZ 4.26Å |
| 1579 | F | 94 | Very high | 92.5 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | trans | -91.9 | 140.4 | 171.6 | -170.2 | -117.1 | 0 | 0 | 0 | 110.5 | V1581 N1585 Y1586 D1623 M1626 | F1579-V1581 HydrophobicContact CD1-CG2 3.88Å; F1579-V1581 HydrophobicContact CE1-CG2 3.9Å; F1579-N1585 WeakPolarHBondContact CD2-O 3.44Å; F1579-Y1586 HydrophobicContact CB-CD1 4.06Å; F1579-Y1586 HydrophobicContact CB-CE1 3.73Å; F1579-Y1586 AromaticContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD2 4.02Å; F1579-Y1586 AromaticContact CD2-CE1 3.54Å; F1579-Y1586 HydrophobicContact CD2-CE1 3.54Å; F1579-Y1586 AromaticContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CG 4.09Å; F1579-Y1586 AromaticContact CD2-CZ 3.46Å; F1579-Y1586 VanDerWaalsContact CD2-CZ 3.46Å; F1579-Y1586 HydrophobicContact CE2-CD2 4.39Å; F1579-Y1586 AromaticContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CG-CD1 4.45Å; F1579-Y1586 HydrophobicContact CG-CE1 4.01Å; F1579-D1623 PolarHBondContact N-OD2 3.15Å; F1579-M1626 HydrophobicContact CB-CG 4.43Å; F1579-M1626 WeakPolarHBondContact O-CA 3.49Å | ||
| 1580 | D | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -109.8 | 105.1 | 170.9 | -173.3 | -27.2 | 0 | 0 | 0 | 109.1 | P1576 K1582 N1583 Q1584 N1585 N1588 R1628 | P1576-D1580 HydrophobicContact CB-CB 4.04Å; P1576-D1580 HydrophobicContact CG-CB 4.12Å; D1580-K1582 PolarHBondContact O-N 3.06Å; D1580-K1582 WeakPolarHBondContact OD1-CB 3.47Å; D1580-K1582 PolarHBondContact OD1-N 3.43Å; D1580-N1583 HydrophobicContact CB-CB 4.34Å; D1580-N1583 CarbonylContact O-C 3.57Å; D1580-N1583 PolarHBondContact O-N 3.36Å; D1580-N1583 PolarHBondContact OD1-N 3.13Å; D1580-N1583 PolarHBondContact OD2-ND2 2.68Å; D1580-Q1584 WeakPolarHBondContact O-CA 3.38Å; D1580-Q1584 PolarHBondContact O-N 2.91Å; D1580-N1585 PolarHBondContact N-O 3.46Å; D1580-N1585 PolarHBondContact O-N 3.1Å; D1580-N1588 PolarHBondContact OD2-ND2 2.7Å; D1580-R1628 IonicContact OD2-CZ 2.86Å; D1580-R1628 IonicContact OD2-NE 2.68Å; D1580-R1628 IonicContact OD2-NH2 3.2Å; D1580-R1628 PolarHBondContact OD2-NH2 2.84Å |
| 1581 | V | 93 | Very high | 92.3 | Very high | 56 Ų | 56 | 45 Ų | 45 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.7 | -178.7 | 166.7 | 0 | 0 | 0 | 0 | 112.4 | F1579 M1626 E1627 | F1579-V1581 HydrophobicContact CD1-CG2 3.88Å; F1579-V1581 HydrophobicContact CE1-CG2 3.9Å; V1581-M1626 WeakPolarHBondContact CB-O 3.17Å; V1581-M1626 HydrophobicContact CG2-CB 3.74Å; V1581-M1626 WeakPolarHBondContact CG2-O 3.25Å; V1581-M1626 PolarHBondContact N-O 2.76Å; V1581-E1627 HydrophobicContact CB-CG 4.21Å; V1581-E1627 HydrophobicContact CG1-CG 4.31Å; V1581-E1627 HydrophobicContact CG2-CG 4.21Å |
| 1582 | K | 88.7 | Confident | 92.2 | Very high | 166 Ų | 166 | 44.1 Ų | 44.1 | 72% | 0.722 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -38.8 | -179.8 | -178.1 | -173.5 | 174.5 | -173.7 | 0 | 111.1 | D1580 | D1580-K1582 PolarHBondContact O-N 3.06Å; D1580-K1582 WeakPolarHBondContact OD1-CB 3.47Å; D1580-K1582 PolarHBondContact OD1-N 3.43Å |
| 1583 | N | 88.4 | Confident | 92 | Very high | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.9 | -176.7 | -63.1 | -49.7 | 0 | 0 | 0 | 113.4 | D1580 N1585 | D1580-N1583 HydrophobicContact CB-CB 4.34Å; D1580-N1583 CarbonylContact O-C 3.57Å; D1580-N1583 PolarHBondContact O-N 3.36Å; D1580-N1583 PolarHBondContact OD1-N 3.13Å; D1580-N1583 PolarHBondContact OD2-ND2 2.68Å; N1583-N1585 VanDerWaalsContact C-N 3.27Å; N1583-N1585 WeakPolarHBondContact CB-ND2 3.43Å; N1583-N1585 PolarHBondContact O-N 2.92Å; N1583-N1585 PolarHBondContact O-ND2 3.44Å |
| 1584 | Q | 91 | Very high | 91.7 | Very high | 163 Ų | 163 | 42.4 Ų | 42.4 | 76% | 0.762 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.9 | -178 | -62.4 | -171 | -16.7 | 0 | 0 | 114.3 | D1580 | D1580-Q1584 WeakPolarHBondContact O-CA 3.38Å; D1580-Q1584 PolarHBondContact O-N 2.91Å |
| 1585 | N | 91.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -151.6 | 173.5 | -177.9 | 69.8 | 62.4 | 0 | 0 | 0 | 113 | F1579 D1580 N1583 K1587 | F1579-N1585 WeakPolarHBondContact CD2-O 3.44Å; D1580-N1585 PolarHBondContact N-O 3.46Å; D1580-N1585 PolarHBondContact O-N 3.1Å; N1583-N1585 VanDerWaalsContact C-N 3.27Å; N1583-N1585 WeakPolarHBondContact CB-ND2 3.43Å; N1583-N1585 PolarHBondContact O-N 2.92Å; N1583-N1585 PolarHBondContact O-ND2 3.44Å; N1585-K1587 WeakPolarHBondContact OD1-CB 3.46Å; N1585-K1587 VanDerWaalsContact OD1-CG 3.3Å; N1585-K1587 WeakPolarHBondContact OD1-CG 3.08Å; N1585-K1587 PolarHBondContact OD1-N 3.06Å |
| 1586 | Y | 91.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -104.4 | 18.4 | 179.9 | -61.3 | -87.6 | 0 | 0 | 0 | 113.3 | Y1578 F1579 N1588 A1589 Y1603 | Y1578-Y1586 HydrophobicContact CD1-CD1 4.05Å; Y1578-Y1586 AromaticContact CD1-CE1 3.85Å; Y1578-Y1586 HydrophobicContact CD1-CE1 3.85Å; Y1578-Y1586 AromaticContact CE1-CD1 3.95Å; Y1578-Y1586 HydrophobicContact CE1-CD1 3.95Å; Y1578-Y1586 AromaticContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CG-CD1 4.41Å; F1579-Y1586 HydrophobicContact CB-CD1 4.06Å; F1579-Y1586 HydrophobicContact CB-CE1 3.73Å; F1579-Y1586 AromaticContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD2 4.02Å; F1579-Y1586 AromaticContact CD2-CE1 3.54Å; F1579-Y1586 HydrophobicContact CD2-CE1 3.54Å; F1579-Y1586 AromaticContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CG 4.09Å; F1579-Y1586 AromaticContact CD2-CZ 3.46Å; F1579-Y1586 VanDerWaalsContact CD2-CZ 3.46Å; F1579-Y1586 HydrophobicContact CE2-CD2 4.39Å; F1579-Y1586 AromaticContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CG-CD1 4.45Å; F1579-Y1586 HydrophobicContact CG-CE1 4.01Å; Y1586-N1588 PolarHBondContact O-N 3.24Å; Y1586-N1588 VanDerWaalsContact O-N 3.12Å; Y1586-A1589 WeakPolarHBondContact O-CB 2.95Å; Y1586-A1589 PolarHBondContact O-N 3.4Å; Y1586-Y1603 VanDerWaalsContact CB-CG 3.44Å; Y1586-Y1603 AromaticContact CD1-CD2 3.46Å; Y1586-Y1603 HydrophobicContact CD1-CD2 3.46Å; Y1586-Y1603 VanDerWaalsContact CD1-CD2 3.46Å; Y1586-Y1603 AromaticContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CG 4.01Å; Y1586-Y1603 HydrophobicContact CD2-CD1 4.26Å; Y1586-Y1603 AromaticContact CD2-CD2 3.6Å; Y1586-Y1603 HydrophobicContact CD2-CD2 3.6Å; Y1586-Y1603 AromaticContact CD2-CE1 3.9Å; Y1586-Y1603 HydrophobicContact CD2-CE1 3.9Å; Y1586-Y1603 AromaticContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CG 4.12Å; Y1586-Y1603 AromaticContact CD2-CZ 3.35Å; Y1586-Y1603 AromaticContact CE1-CD2 3.86Å; Y1586-Y1603 HydrophobicContact CE1-CD2 3.86Å; Y1586-Y1603 AromaticContact CE1-CE2 4Å; Y1586-Y1603 HydrophobicContact CE1-CE2 4Å; Y1586-Y1603 AromaticContact CE2-CD2 3.99Å; Y1586-Y1603 HydrophobicContact CE2-CD2 3.99Å; Y1586-Y1603 AromaticContact CE2-CE2 3.33Å; Y1586-Y1603 HydrophobicContact CE2-CE2 3.33Å; Y1586-Y1603 AromaticContact CE2-CZ 3.75Å; Y1586-Y1603 HydrophobicContact CG-CD1 4.02Å; Y1586-Y1603 AromaticContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CE1 4.15Å; Y1586-Y1603 AromaticContact CG-CE2 3.47Å; Y1586-Y1603 HydrophobicContact CG-CE2 3.47Å; Y1586-Y1603 VanDerWaalsContact CG-CE2 3.47Å; Y1586-Y1603 AromaticContact CG-CG 3.61Å; Y1586-Y1603 HydrophobicContact CG-CG 3.61Å; Y1586-Y1603 AromaticContact CG-CZ 3.89Å; Y1586-Y1603 AromaticContact CZ-CE2 3.74Å |
| 1587 | K | 88.6 | Confident | 90.8 | Very high | 143 Ų | 143 | 48.7 Ų | 48.7 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.9 | 178.9 | -67.6 | -177.4 | 176.2 | -174 | 0 | 112.8 | N1585 A1589 K1655 | N1585-K1587 WeakPolarHBondContact OD1-CB 3.46Å; N1585-K1587 VanDerWaalsContact OD1-CG 3.3Å; N1585-K1587 WeakPolarHBondContact OD1-CG 3.08Å; N1585-K1587 PolarHBondContact OD1-N 3.06Å; K1587-A1589 VanDerWaalsContact C-N 3.35Å; K1587-K1655 WeakPolarHBondContact O-CB 3.21Å; K1587-K1655 WeakPolarHBondContact O-CD 3.46Å |
| 1588 | N | 89.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 15 | 178.1 | -65 | -21.1 | 0 | 0 | 0 | 112.7 | P1576 V1577 D1580 Y1586 E1656 | P1576-N1588 HydrophobicContact CB-CB 4.27Å; P1576-N1588 HydrophobicContact CG-CB 3.87Å; V1577-N1588 CarbonylContact C-O 3.51Å; V1577-N1588 VanDerWaalsContact C-O 3.27Å; D1580-N1588 PolarHBondContact OD2-ND2 2.7Å; Y1586-N1588 PolarHBondContact O-N 3.24Å; Y1586-N1588 VanDerWaalsContact O-N 3.12Å; N1588-E1656 PolarHBondContact ND2-OE2 2.9Å; N1588-E1656 VanDerWaalsContact OD1-CB 3.26Å; N1588-E1656 WeakPolarHBondContact OD1-CB 3.14Å; N1588-E1656 VanDerWaalsContact OD1-CD 3.23Å; N1588-E1656 WeakPolarHBondContact OD1-CG 3.4Å; N1588-E1656 PolarHBondContact OD1-OE2 2.61Å; N1588-E1656 VanDerWaalsContact OD1-OE2 3.12Å |
| 1589 | A | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 134.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1577 Y1578 Y1586 K1587 I1591 | V1577-A1589 WeakPolarHBondContact O-CA 3.39Å; Y1578-A1589 HydrophobicContact CD2-CB 3.95Å; Y1578-A1589 HydrophobicContact CE2-CB 4.38Å; Y1578-A1589 PolarHBondContact O-N 2.91Å; Y1586-A1589 WeakPolarHBondContact O-CB 2.95Å; Y1586-A1589 PolarHBondContact O-N 3.4Å; K1587-A1589 VanDerWaalsContact C-N 3.35Å; A1589-I1591 PolarHBondContact O-N 2.79Å |
| 1590 | V | 93.5 | Very high | 90 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 134.2 | 171.7 | -112 | 0 | 0 | 0 | 0 | 110 | F1570 V1577 T1602 F1637 I1652 Q1653 L1654 | F1570-V1590 HydrophobicContact CD2-CG2 4.44Å; F1570-V1590 HydrophobicContact CE1-CG1 4.32Å; F1570-V1590 HydrophobicContact CE2-CG2 3.92Å; F1570-V1590 HydrophobicContact CZ-CG1 4.03Å; F1570-V1590 HydrophobicContact CZ-CG2 4.21Å; V1577-V1590 HydrophobicContact CB-CG2 4.31Å; V1577-V1590 WeakPolarHBondContact O-CG2 3.08Å; V1577-V1590 PolarHBondContact O-N 3.27Å; V1590-T1602 WeakPolarHBondContact O-CB 3.34Å; V1590-T1602 WeakPolarHBondContact O-CG2 3.49Å; V1590-T1602 PolarHBondContact O-N 3.49Å; V1590-T1602 PolarHBondContact O-OG1 2.85Å; V1590-F1637 HydrophobicContact CG2-CE1 3.93Å; V1590-F1637 HydrophobicContact CG2-CE2 4.06Å; V1590-F1637 HydrophobicContact CG2-CZ 3.48Å; V1590-F1637 VanDerWaalsContact CG2-CZ 3.48Å; V1590-I1652 HydrophobicContact CB-CG2 4.4Å; V1590-I1652 HydrophobicContact CG1-CG2 3.51Å; V1590-Q1653 WeakPolarHBondContact CG1-O 3.3Å; V1590-L1654 HydrophobicContact CG1-CD2 3.6Å |
| 1591 | I | 93.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.5 | 162.1 | -76.9 | 179.8 | 0 | 0 | 0 | 107.6 | W1522 A1589 V1599 I1600 D1601 Q1653 | W1522-I1591 HydrophobicContact CH2-CG2 3.86Å; W1522-I1591 HydrophobicContact CZ2-CG2 4.37Å; A1589-I1591 PolarHBondContact O-N 2.79Å; I1591-V1599 HydrophobicContact CG2-CG1 3.27Å; I1591-I1600 WeakPolarHBondContact CA-O 3.36Å; I1591-D1601 HydrophobicContact CG1-CB 4.09Å; I1591-Q1653 HydrophobicContact CB-CB 3.97Å; I1591-Q1653 HydrophobicContact CG2-CB 4.09Å; I1591-Q1653 PolarHBondContact N-O 2.81Å; I1591-Q1653 PolarHBondContact O-N 2.93Å |
| 1592 | V | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.2 | 172.6 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | V1599 I1600 T1602 F1639 L1649 I1652 | V1592-V1599 WeakPolarHBondContact O-CA 2.94Å; V1592-I1600 HydrophobicContact CG2-CB 4.17Å; V1592-I1600 HydrophobicContact CG2-CG2 4.29Å; V1592-I1600 PolarHBondContact N-O 3.1Å; V1592-I1600 PolarHBondContact O-N 2.88Å; V1592-T1602 HydrophobicContact CG1-CG2 4.05Å; V1592-T1602 HydrophobicContact CG2-CG2 4.23Å; V1592-F1639 HydrophobicContact CG1-CE1 4.4Å; V1592-F1639 HydrophobicContact CG1-CZ 3.87Å; V1592-F1639 HydrophobicContact CG2-CE1 3.7Å; V1592-F1639 HydrophobicContact CG2-CZ 4.04Å; V1592-L1649 HydrophobicContact CB-CD2 4.24Å; V1592-L1649 HydrophobicContact CG2-CD2 4.16Å; V1592-I1652 HydrophobicContact CG1-CG1 4.44Å |
| 1593 | K | 89.6 | Confident | 90 | Very high | 45 Ų | 45 | 49 Ų | 49 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.4 | 171.6 | -168.4 | 175.8 | -178.1 | -168.4 | 0 | 110.2 | W1522 E1597 N1598 V1599 L1649 V1650 D1651 | W1522-K1593 HydrophobicContact CH2-CB 3.83Å; W1522-K1593 HydrophobicContact CZ3-CB 3.67Å; K1593-E1597 WeakPolarHBondContact CE-O 3.37Å; K1593-E1597 WeakPolarHBondContact CE-OE1 3.41Å; K1593-E1597 WeakPolarHBondContact CE-OE2 3.47Å; K1593-E1597 IonicContact NZ-OE1 3.71Å; K1593-E1597 PolarHBondContact NZ-OE1 2.84Å; K1593-E1597 IonicContact NZ-OE2 2.82Å; K1593-E1597 PolarHBondContact NZ-OE2 2.96Å; K1593-N1598 WeakPolarHBondContact CA-O 3.44Å; K1593-V1599 HydrophobicContact CG-CG2 4.34Å; K1593-L1649 CarbonylContact O-C 3.54Å; K1593-V1650 HydrophobicContact CB-CB 4.45Å; K1593-V1650 HydrophobicContact CD-CG1 4.35Å; K1593-V1650 HydrophobicContact CG-CB 4.34Å; K1593-V1650 PolarHBondContact O-N 3Å; K1593-D1651 HydrophobicContact CB-CB 4.21Å; K1593-D1651 PolarHBondContact N-O 3.1Å |
| 1594 | L | 89.7 | Confident | 89.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | trans | -88.5 | 170.4 | -178.8 | -67.3 | -167.4 | 0 | 0 | 0 | 113 | D1596 E1597 N1598 I1600 L1617 L1646 L1649 V1650 | L1594-D1596 VanDerWaalsContact C-N 3.26Å; L1594-D1596 WeakPolarHBondContact CB-OD1 3.23Å; L1594-D1596 PolarHBondContact O-N 3Å; L1594-E1597 WeakPolarHBondContact O-CA 3.4Å; L1594-E1597 PolarHBondContact O-N 3.38Å; L1594-N1598 HydrophobicContact CB-CB 4.46Å; L1594-N1598 WeakPolarHBondContact CB-O 3.32Å; L1594-N1598 HydrophobicContact CD1-CB 4.45Å; L1594-N1598 PolarHBondContact N-O 3.18Å; L1594-I1600 HydrophobicContact CD1-CD1 3.35Å; L1594-I1600 HydrophobicContact CD1-CG1 4.08Å; L1594-I1600 HydrophobicContact CD2-CD1 4.46Å; L1594-I1600 HydrophobicContact CG-CD1 3.94Å; L1594-I1600 HydrophobicContact CG-CG1 4.25Å; L1594-L1617 HydrophobicContact CD1-CD2 4.49Å; L1594-L1646 WeakPolarHBondContact CB-O 3.35Å; L1594-L1646 HydrophobicContact CD1-CB 3.9Å; L1594-L1646 HydrophobicContact CD1-CD2 3.9Å; L1594-L1646 HydrophobicContact CD1-CG 4.3Å; L1594-L1649 HydrophobicContact CD2-CD2 3.83Å; L1594-V1650 VanDerWaalsContact O-CG2 3.23Å; L1594-V1650 WeakPolarHBondContact O-CG2 3.38Å | ||
| 1595 | F | 87.8 | Confident | 89.6 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.6 | 179.9 | -166.5 | -101.5 | 0 | 0 | 0 | 114.7 | F1551 I1554 R1555 Q1558 E1597 L1646 P1648 V1650 | F1551-F1595 HydrophobicContact CD1-CE1 4.48Å; F1551-F1595 HydrophobicContact CD1-CZ 4.05Å; F1551-F1595 AromaticContact CD2-CE2 3.69Å; F1551-F1595 HydrophobicContact CD2-CE2 3.69Å; F1551-F1595 AromaticContact CD2-CZ 3.55Å; F1551-F1595 HydrophobicContact CD2-CZ 3.55Å; F1551-F1595 AromaticContact CE1-CE1 3.89Å; F1551-F1595 HydrophobicContact CE1-CE1 3.89Å; F1551-F1595 AromaticContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE2-CD2 4.08Å; F1551-F1595 AromaticContact CE2-CE1 3.94Å; F1551-F1595 HydrophobicContact CE2-CE1 3.94Å; F1551-F1595 AromaticContact CE2-CE2 3.33Å; F1551-F1595 HydrophobicContact CE2-CE2 3.33Å; F1551-F1595 AromaticContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CG-CE2 4.5Å; F1551-F1595 AromaticContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CZ-CD1 4.22Å; F1551-F1595 HydrophobicContact CZ-CD2 4.49Å; F1551-F1595 AromaticContact CZ-CE1 3.58Å; F1551-F1595 HydrophobicContact CZ-CE1 3.58Å; F1551-F1595 AromaticContact CZ-CE2 3.89Å; F1551-F1595 HydrophobicContact CZ-CE2 3.89Å; F1551-F1595 AromaticContact CZ-CZ 3.39Å; F1551-F1595 HydrophobicContact CZ-CZ 3.39Å; I1554-F1595 HydrophobicContact CB-CZ 4.08Å; I1554-F1595 HydrophobicContact CD1-CE2 4.41Å; I1554-F1595 HydrophobicContact CG2-CE1 4.09Å; I1554-F1595 HydrophobicContact CG2-CE2 4.05Å; I1554-F1595 HydrophobicContact CG2-CZ 3.67Å; R1555-F1595 HydrophobicContact CG-CE1 4.26Å; R1555-F1595 VanDerWaalsContact CZ-CE1 3.5Å; Q1558-F1595 VanDerWaalsContact NE2-CE1 3.34Å; F1595-E1597 VanDerWaalsContact C-N 3.25Å; F1595-L1646 PolarHBondContact N-O 2.88Å; F1595-P1648 WeakPolarHBondContact CB-O 3.48Å; F1595-P1648 HydrophobicContact CD2-CG 4.02Å; F1595-P1648 HydrophobicContact CE2-CG 4.44Å; F1595-P1648 PolarHBondContact N-O 3.25Å; F1595-V1650 HydrophobicContact CD2-CG2 4.49Å |
| 1596 | D | 85.2 | Confident | 89.1 | Confident | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 17.7 | 169.9 | 63.7 | -8.1 | 0 | 0 | 0 | 112.5 | L1594 N1598 L1646 | L1594-D1596 VanDerWaalsContact C-N 3.26Å; L1594-D1596 WeakPolarHBondContact CB-OD1 3.23Å; L1594-D1596 PolarHBondContact O-N 3Å; D1596-N1598 PolarHBondContact O-N 3.34Å; D1596-N1598 VanDerWaalsContact O-N 3.14Å; D1596-N1598 WeakPolarHBondContact OD1-CB 3.22Å; D1596-N1598 PolarHBondContact OD1-N 2.89Å; D1596-N1598 PolarHBondContact OD1-ND2 3.19Å; D1596-N1598 PolarHBondContact OD2-ND2 3.06Å; D1596-L1646 WeakPolarHBondContact OD2-CD2 3.32Å |
| 1597 | E | 84.5 | Confident | 88.8 | Confident | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.523 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 66.3 | -1.5 | -178 | -61.4 | -84.8 | 100.4 | 0 | 0 | 115.2 | K1593 L1594 F1595 | K1593-E1597 WeakPolarHBondContact CE-O 3.37Å; K1593-E1597 WeakPolarHBondContact CE-OE1 3.41Å; K1593-E1597 WeakPolarHBondContact CE-OE2 3.47Å; K1593-E1597 IonicContact NZ-OE1 3.71Å; K1593-E1597 PolarHBondContact NZ-OE1 2.84Å; K1593-E1597 IonicContact NZ-OE2 2.82Å; K1593-E1597 PolarHBondContact NZ-OE2 2.96Å; L1594-E1597 WeakPolarHBondContact O-CA 3.4Å; L1594-E1597 PolarHBondContact O-N 3.38Å; F1595-E1597 VanDerWaalsContact C-N 3.25Å |
| 1598 | N | 86.1 | Confident | 88.3 | Confident | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | trans | -63.7 | 139.9 | 176.4 | -75 | -42.8 | 0 | 0 | 0 | 111.4 | K1593 L1594 D1596 | K1593-N1598 WeakPolarHBondContact CA-O 3.44Å; L1594-N1598 HydrophobicContact CB-CB 4.46Å; L1594-N1598 WeakPolarHBondContact CB-O 3.32Å; L1594-N1598 HydrophobicContact CD1-CB 4.45Å; L1594-N1598 PolarHBondContact N-O 3.18Å; D1596-N1598 PolarHBondContact O-N 3.34Å; D1596-N1598 VanDerWaalsContact O-N 3.14Å; D1596-N1598 WeakPolarHBondContact OD1-CB 3.22Å; D1596-N1598 PolarHBondContact OD1-N 2.89Å; D1596-N1598 PolarHBondContact OD1-ND2 3.19Å; D1596-N1598 PolarHBondContact OD2-ND2 3.06Å | ||
| 1599 | V | 90.5 | Very high | 87.6 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 46% | 0.461 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.1 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | W1522 I1591 V1592 K1593 | W1522-V1599 HydrophobicContact CH2-CG1 4.05Å; W1522-V1599 HydrophobicContact CH2-CG2 4.13Å; W1522-V1599 HydrophobicContact CZ2-CG1 4.23Å; W1522-V1599 HydrophobicContact CZ2-CG2 4.21Å; I1591-V1599 HydrophobicContact CG2-CG1 3.27Å; V1592-V1599 WeakPolarHBondContact O-CA 2.94Å; K1593-V1599 HydrophobicContact CG-CG2 4.34Å |
| 1600 | I | 89.5 | Confident | 86.3 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.3 | -171.6 | -73.1 | -162.5 | 0 | 0 | 0 | 109 | I1591 V1592 L1594 D1605 L1617 I1619 | I1591-I1600 WeakPolarHBondContact CA-O 3.36Å; V1592-I1600 HydrophobicContact CG2-CB 4.17Å; V1592-I1600 HydrophobicContact CG2-CG2 4.29Å; V1592-I1600 PolarHBondContact N-O 3.1Å; V1592-I1600 PolarHBondContact O-N 2.88Å; L1594-I1600 HydrophobicContact CD1-CD1 3.35Å; L1594-I1600 HydrophobicContact CD1-CG1 4.08Å; L1594-I1600 HydrophobicContact CD2-CD1 4.46Å; L1594-I1600 HydrophobicContact CG-CD1 3.94Å; L1594-I1600 HydrophobicContact CG-CG1 4.25Å; I1600-D1605 HydrophobicContact CB-CB 4.46Å; I1600-D1605 HydrophobicContact CG2-CB 3.65Å; I1600-L1617 HydrophobicContact CD1-CD2 3.62Å; I1600-L1617 HydrophobicContact CG2-CD2 4.47Å; I1600-I1619 HydrophobicContact CG2-CD1 3.95Å |
| 1601 | D | 91.4 | Very high | 84.7 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121 | 169.7 | -170.3 | -65.2 | 0 | 0 | 0 | 109.4 | I1591 Y1603 E1604 D1605 K1655 | I1591-D1601 HydrophobicContact CG1-CB 4.09Å; D1601-Y1603 PolarHBondContact O-N 3.02Å; D1601-Y1603 WeakPolarHBondContact OD1-CB 3.26Å; D1601-Y1603 PolarHBondContact OD1-N 2.86Å; D1601-E1604 HydrophobicContact CB-CB 4.21Å; D1601-E1604 HydrophobicContact CB-CG 4.43Å; D1601-E1604 PolarHBondContact O-N 2.87Å; D1601-E1604 PolarHBondContact OD1-N 3.04Å; D1601-D1605 PolarHBondContact N-OD2 2.71Å; D1601-D1605 WeakPolarHBondContact O-CB 3.4Å; D1601-D1605 PolarHBondContact O-N 2.79Å; D1601-K1655 IonicContact OD2-NZ 3.3Å; D1601-K1655 PolarHBondContact OD2-NZ 3.49Å |
| 1602 | T | 91.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.1 | -172.3 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | V1590 V1592 I1619 F1637 F1639 | V1590-T1602 WeakPolarHBondContact O-CB 3.34Å; V1590-T1602 WeakPolarHBondContact O-CG2 3.49Å; V1590-T1602 PolarHBondContact O-N 3.49Å; V1590-T1602 PolarHBondContact O-OG1 2.85Å; V1592-T1602 HydrophobicContact CG1-CG2 4.05Å; V1592-T1602 HydrophobicContact CG2-CG2 4.23Å; T1602-I1619 HydrophobicContact CG2-CD1 4.36Å; T1602-F1637 HydrophobicContact CG2-CD1 4.23Å; T1602-F1637 HydrophobicContact CG2-CE1 4.21Å; T1602-F1639 HydrophobicContact CG2-CE1 4.19Å; T1602-F1639 HydrophobicContact CG2-CZ 3.91Å |
| 1603 | Y | 91.1 | Very high | 82.3 | Confident | 102 Ų | 102 | 72 Ų | 72 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -54.7 | 171.3 | 173.8 | -105.6 | 0 | 0 | 0 | 112.1 | Y1586 D1601 R1606 | Y1586-Y1603 VanDerWaalsContact CB-CG 3.44Å; Y1586-Y1603 AromaticContact CD1-CD2 3.46Å; Y1586-Y1603 HydrophobicContact CD1-CD2 3.46Å; Y1586-Y1603 VanDerWaalsContact CD1-CD2 3.46Å; Y1586-Y1603 AromaticContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CG 4.01Å; Y1586-Y1603 HydrophobicContact CD2-CD1 4.26Å; Y1586-Y1603 AromaticContact CD2-CD2 3.6Å; Y1586-Y1603 HydrophobicContact CD2-CD2 3.6Å; Y1586-Y1603 AromaticContact CD2-CE1 3.9Å; Y1586-Y1603 HydrophobicContact CD2-CE1 3.9Å; Y1586-Y1603 AromaticContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CG 4.12Å; Y1586-Y1603 AromaticContact CD2-CZ 3.35Å; Y1586-Y1603 AromaticContact CE1-CD2 3.86Å; Y1586-Y1603 HydrophobicContact CE1-CD2 3.86Å; Y1586-Y1603 AromaticContact CE1-CE2 4Å; Y1586-Y1603 HydrophobicContact CE1-CE2 4Å; Y1586-Y1603 AromaticContact CE2-CD2 3.99Å; Y1586-Y1603 HydrophobicContact CE2-CD2 3.99Å; Y1586-Y1603 AromaticContact CE2-CE2 3.33Å; Y1586-Y1603 HydrophobicContact CE2-CE2 3.33Å; Y1586-Y1603 AromaticContact CE2-CZ 3.75Å; Y1586-Y1603 HydrophobicContact CG-CD1 4.02Å; Y1586-Y1603 AromaticContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CE1 4.15Å; Y1586-Y1603 AromaticContact CG-CE2 3.47Å; Y1586-Y1603 HydrophobicContact CG-CE2 3.47Å; Y1586-Y1603 VanDerWaalsContact CG-CE2 3.47Å; Y1586-Y1603 AromaticContact CG-CG 3.61Å; Y1586-Y1603 HydrophobicContact CG-CG 3.61Å; Y1586-Y1603 AromaticContact CG-CZ 3.89Å; Y1586-Y1603 AromaticContact CZ-CE2 3.74Å; D1601-Y1603 PolarHBondContact O-N 3.02Å; D1601-Y1603 WeakPolarHBondContact OD1-CB 3.26Å; D1601-Y1603 PolarHBondContact OD1-N 2.86Å; Y1603-R1606 WeakPolarHBondContact O-CB 3.27Å |
| 1604 | E | 86.7 | Confident | 81.5 | Confident | 156 Ų | 156 | 71.6 Ų | 71.6 | 73% | 0.729 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -44.4 | -174 | -57.4 | -170.6 | 157.5 | 0 | 0 | 111.8 | D1601 R1606 | D1601-E1604 HydrophobicContact CB-CB 4.21Å; D1601-E1604 HydrophobicContact CB-CG 4.43Å; D1601-E1604 PolarHBondContact O-N 2.87Å; D1601-E1604 PolarHBondContact OD1-N 3.04Å; E1604-R1606 VanDerWaalsContact C-N 3.34Å; E1604-R1606 PolarHBondContact O-N 3.2Å |
| 1605 | D | 83.9 | Confident | 81 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 18 | -176.4 | -67.9 | -55.8 | 0 | 0 | 0 | 113.4 | I1600 D1601 R1607 T1608 | I1600-D1605 HydrophobicContact CB-CB 4.46Å; I1600-D1605 HydrophobicContact CG2-CB 3.65Å; D1601-D1605 PolarHBondContact N-OD2 2.71Å; D1601-D1605 WeakPolarHBondContact O-CB 3.4Å; D1601-D1605 PolarHBondContact O-N 2.79Å; D1605-R1607 PolarHBondContact O-N 3.07Å; D1605-T1608 PolarHBondContact O-N 2.89Å; D1605-T1608 PolarHBondContact O-OG1 2.96Å |
| 1606 | R | 83.1 | Confident | 81 | Confident | 103 Ų | 103 | 74.8 Ų | 74.8 | 39% | 0.389 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -27.6 | -175.3 | -168.5 | -177.1 | 174.3 | 178.1 | -2.3 | 114 | Y1603 E1604 I1619 | Y1603-R1606 WeakPolarHBondContact O-CB 3.27Å; E1604-R1606 VanDerWaalsContact C-N 3.34Å; E1604-R1606 PolarHBondContact O-N 3.2Å; R1606-I1619 HydrophobicContact CG-CB 4.06Å; R1606-I1619 VanDerWaalsContact CG-O 3.22Å; R1606-I1619 WeakPolarHBondContact CG-O 3.21Å; R1606-I1619 PolarHBondContact NE-O 3.45Å; R1606-I1619 PolarHBondContact O-N 3.13Å |
| 1607 | R | 83.6 | Confident | 81.3 | Confident | 147 Ų | 147 | 72.6 Ų | 72.6 | 56% | 0.555 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 76.7 | 172.4 | -77 | -177.2 | 170.5 | 173.2 | -1.7 | 112.2 | D1605 R1609 I1615 L1617 D1618 | D1605-R1607 PolarHBondContact O-N 3.07Å; R1607-R1609 PolarHBondContact O-N 3.26Å; R1607-I1615 HydrophobicContact CG-CD1 4.42Å; R1607-L1617 WeakPolarHBondContact CA-O 3.46Å; R1607-D1618 WeakPolarHBondContact CG-OD1 3.44Å; R1607-D1618 IonicContact CZ-OD1 3.53Å; R1607-D1618 IonicContact NE-OD1 2.74Å; R1607-D1618 PolarHBondContact NE-OD1 2.95Å; R1607-D1618 IonicContact NH2-OD1 3.41Å; R1607-D1618 PolarHBondContact NH2-OD1 3.28Å; R1607-D1618 IonicContact NH2-OD2 3.63Å |
| 1608 | T | 78.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 128.8 | 173.7 | -15.9 | 0 | 0 | 0 | 0 | 110.2 | D1605 M1616 L1617 | D1605-T1608 PolarHBondContact O-N 2.89Å; D1605-T1608 PolarHBondContact O-OG1 2.96Å; T1608-M1616 HydrophobicContact CG2-CE 4.49Å; T1608-M1616 PolarHBondContact O-N 3.06Å; T1608-L1617 PolarHBondContact N-O 2.94Å; T1608-L1617 PolarHBondContact O-N 3.4Å |
| 1609 | R | 74.9 | Confident | 82.1 | Confident | 158 Ų | 158 | 64.4 Ų | 64.4 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 154.6 | -176.3 | -67.3 | 178.8 | -176.6 | -124.5 | 16.7 | 112.7 | R1607 G1613 G1614 I1615 | R1607-R1609 PolarHBondContact O-N 3.26Å; R1609-G1613 WeakPolarHBondContact CD-O 3.32Å; R1609-G1613 PolarHBondContact NH1-O 3.21Å; R1609-G1614 CarbonylContact C-O 3.6Å; R1609-G1614 VanDerWaalsContact CA-O 3.32Å; R1609-G1614 WeakPolarHBondContact CA-O 3.39Å; R1609-I1615 HydrophobicContact CG-CG1 4.36Å |
| 1610 | T | 65 | Low | 82.3 | Confident | 51 Ų | 51 | 64 Ų | 64 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | trans | -69.5 | 165.4 | 163.9 | 57 | 0 | 0 | 0 | 0 | 111 | G1612 G1613 G1614 M1616 | T1610-G1612 PolarHBondContact O-N 3.33Å; T1610-G1612 PolarHBondContact OG1-N 3.05Å; T1610-G1613 WeakPolarHBondContact O-CA 3.49Å; T1610-G1613 PolarHBondContact O-N 3.3Å; T1610-G1614 PolarHBondContact N-O 2.98Å; T1610-G1614 PolarHBondContact OG1-N 3.12Å; T1610-G1614 VanDerWaalsContact OG1-N 3.11Å; T1610-G1614 PolarHBondContact OG1-O 2.98Å; T1610-M1616 HydrophobicContact CG2-CG 3.36Å; T1610-M1616 HydrophobicContact CG2-SD 3.59Å; T1610-M1616 VanDerWaalsContact CG2-SD 3.59Å | ||
| 1611 | I | 60.6 | Low | 82.5 | Confident | 189 Ų | 189 | 64.9 Ų | 64.9 | 97% | 0.969 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -32.5 | 167.9 | -57 | 171.7 | 0 | 0 | 0 | 111.5 | G1613 | I1611-G1613 VanDerWaalsContact C-N 3.27Å; I1611-G1613 PolarHBondContact O-N 3.11Å |
| 1612 | G | 65.3 | Low | 82.8 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 14.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1610 G1614 | T1610-G1612 PolarHBondContact O-N 3.33Å; T1610-G1612 PolarHBondContact OG1-N 3.05Å; G1612-G1614 VanDerWaalsContact C-N 3.25Å; G1612-G1614 PolarHBondContact O-N 3.33Å |
| 1613 | G | 68.1 | Low | 82.9 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 75.9 | -2.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1609 T1610 I1611 | R1609-G1613 WeakPolarHBondContact CD-O 3.32Å; R1609-G1613 PolarHBondContact NH1-O 3.21Å; T1610-G1613 WeakPolarHBondContact O-CA 3.49Å; T1610-G1613 PolarHBondContact O-N 3.3Å; I1611-G1613 VanDerWaalsContact C-N 3.27Å; I1611-G1613 PolarHBondContact O-N 3.11Å |
| 1614 | G | 73.9 | Confident | 83.2 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | trans | -78.1 | 133.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1609 T1610 G1612 M1616 | R1609-G1614 CarbonylContact C-O 3.6Å; R1609-G1614 VanDerWaalsContact CA-O 3.32Å; R1609-G1614 WeakPolarHBondContact CA-O 3.39Å; T1610-G1614 PolarHBondContact N-O 2.98Å; T1610-G1614 PolarHBondContact OG1-N 3.12Å; T1610-G1614 VanDerWaalsContact OG1-N 3.11Å; T1610-G1614 PolarHBondContact OG1-O 2.98Å; G1612-G1614 VanDerWaalsContact C-N 3.25Å; G1612-G1614 PolarHBondContact O-N 3.33Å; G1614-M1616 PolarHBondContact O-N 2.8Å | ||
| 1615 | I | 79.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 119.9 | -178.2 | -57.6 | 170.7 | 0 | 0 | 0 | 110 | R1607 R1609 L1617 D1618 R1642 | R1607-I1615 HydrophobicContact CG-CD1 4.42Å; R1609-I1615 HydrophobicContact CG-CG1 4.36Å; I1615-L1617 WeakPolarHBondContact CG2-O 3.46Å; I1615-D1618 HydrophobicContact CG2-CB 4.06Å; I1615-R1642 WeakPolarHBondContact O-CD 3.24Å |
| 1616 | M | 87.8 | Confident | 84 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 17% | 0.172 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -37 | 173.9 | -63.9 | -166.7 | -59.9 | 0 | 0 | 111.8 | T1608 T1610 G1614 A1641 R1642 K1643 L1646 | T1608-M1616 HydrophobicContact CG2-CE 4.49Å; T1608-M1616 PolarHBondContact O-N 3.06Å; T1610-M1616 HydrophobicContact CG2-CG 3.36Å; T1610-M1616 HydrophobicContact CG2-SD 3.59Å; T1610-M1616 VanDerWaalsContact CG2-SD 3.59Å; G1614-M1616 PolarHBondContact O-N 2.8Å; M1616-A1641 CarbonylContact O-C 3.51Å; M1616-A1641 WeakPolarHBondContact O-CA 3.49Å; M1616-R1642 PolarHBondContact O-N 3.1Å; M1616-K1643 HydrophobicContact CG-CD 4.18Å; M1616-K1643 HydrophobicContact CG-CG 4.4Å; M1616-K1643 HydrophobicContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CE 3.5Å; M1616-K1643 HydrophobicContact SD-CG 4.43Å; M1616-K1643 PolarHBondContact SD-NZ 3.37Å; M1616-L1646 HydrophobicContact CB-CD1 4.17Å |
| 1617 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.2 | 179.7 | -178.4 | 69 | 0 | 0 | 0 | 108.8 | L1594 I1600 R1607 T1608 I1615 I1619 F1639 V1640 A1641 L1646 | L1594-L1617 HydrophobicContact CD1-CD2 4.49Å; I1600-L1617 HydrophobicContact CD1-CD2 3.62Å; I1600-L1617 HydrophobicContact CG2-CD2 4.47Å; R1607-L1617 WeakPolarHBondContact CA-O 3.46Å; T1608-L1617 PolarHBondContact N-O 2.94Å; T1608-L1617 PolarHBondContact O-N 3.4Å; I1615-L1617 WeakPolarHBondContact CG2-O 3.46Å; L1617-I1619 HydrophobicContact CD2-CD1 4.14Å; L1617-I1619 HydrophobicContact CD2-CG1 4.15Å; L1617-I1619 HydrophobicContact CG-CG1 4.1Å; L1617-F1639 HydrophobicContact CD1-CB 4.31Å; L1617-F1639 HydrophobicContact CD1-CD1 4.42Å; L1617-F1639 HydrophobicContact CD2-CD1 4.5Å; L1617-V1640 WeakPolarHBondContact CA-O 3.31Å; L1617-A1641 HydrophobicContact CD1-CB 3.97Å; L1617-L1646 HydrophobicContact CB-CD1 4.06Å |
| 1618 | D | 93.4 | Very high | 84.6 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123 | 171 | -167.9 | 33.8 | 0 | 0 | 0 | 108 | R1607 I1615 V1640 | R1607-D1618 WeakPolarHBondContact CG-OD1 3.44Å; R1607-D1618 IonicContact CZ-OD1 3.53Å; R1607-D1618 IonicContact NE-OD1 2.74Å; R1607-D1618 PolarHBondContact NE-OD1 2.95Å; R1607-D1618 IonicContact NH2-OD1 3.41Å; R1607-D1618 PolarHBondContact NH2-OD1 3.28Å; R1607-D1618 IonicContact NH2-OD2 3.63Å; I1615-D1618 HydrophobicContact CG2-CB 4.06Å; D1618-V1640 HydrophobicContact CB-CB 4.47Å; D1618-V1640 PolarHBondContact N-O 3.13Å; D1618-V1640 PolarHBondContact O-N 2.77Å |
| 1619 | I | 94.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.4 | 179.6 | -51.4 | 175.9 | 0 | 0 | 0 | 108.4 | I1600 T1602 R1606 L1617 V1621 F1637 E1638 F1639 | I1600-I1619 HydrophobicContact CG2-CD1 3.95Å; T1602-I1619 HydrophobicContact CG2-CD1 4.36Å; R1606-I1619 HydrophobicContact CG-CB 4.06Å; R1606-I1619 VanDerWaalsContact CG-O 3.22Å; R1606-I1619 WeakPolarHBondContact CG-O 3.21Å; R1606-I1619 PolarHBondContact NE-O 3.45Å; R1606-I1619 PolarHBondContact O-N 3.13Å; L1617-I1619 HydrophobicContact CD2-CD1 4.14Å; L1617-I1619 HydrophobicContact CD2-CG1 4.15Å; L1617-I1619 HydrophobicContact CG-CG1 4.1Å; I1619-V1621 HydrophobicContact CG2-CG2 4.04Å; I1619-F1637 HydrophobicContact CG2-CD1 4.34Å; I1619-E1638 WeakPolarHBondContact CA-O 3.07Å; I1619-F1639 HydrophobicContact CD1-CD1 4.01Å; I1619-F1639 HydrophobicContact CD1-CE1 3.63Å; I1619-F1639 HydrophobicContact CG1-CD1 3.81Å; I1619-F1639 HydrophobicContact CG1-CE1 3.89Å; I1619-F1639 HydrophobicContact CG2-CD1 4.3Å; I1619-F1639 HydrophobicContact CG2-CE1 4.01Å; I1619-F1639 HydrophobicContact CG2-CZ 4.21Å |
| 1620 | K | 94.4 | Very high | 85.9 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 29% | 0.291 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.1 | 172.9 | -40.9 | -167.8 | -153.4 | 123.6 | 0 | 108.8 | F1637 E1638 | K1620-F1637 CarbonylContact O-C 3.49Å; K1620-F1637 WeakPolarHBondContact O-CA 3.06Å; K1620-E1638 HydrophobicContact CB-CB 4.22Å; K1620-E1638 WeakPolarHBondContact CD-OE2 3.1Å; K1620-E1638 PolarHBondContact N-O 3.46Å; K1620-E1638 IonicContact NZ-OE1 3.79Å; K1620-E1638 PolarHBondContact NZ-OE1 3.47Å; K1620-E1638 IonicContact NZ-OE2 3.6Å; K1620-E1638 PolarHBondContact NZ-OE2 3.38Å; K1620-E1638 PolarHBondContact O-N 2.84Å |
| 1621 | V | 94.8 | Very high | 87.1 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.9 | -177.1 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | Y1578 I1619 D1623 V1636 F1637 | Y1578-V1621 HydrophobicContact CD1-CB 4.43Å; Y1578-V1621 HydrophobicContact CD1-CG1 3.85Å; Y1578-V1621 HydrophobicContact CD2-CG1 4.33Å; Y1578-V1621 HydrophobicContact CD2-CG2 4.49Å; Y1578-V1621 HydrophobicContact CE1-CB 4.2Å; Y1578-V1621 HydrophobicContact CE1-CG1 4.13Å; Y1578-V1621 HydrophobicContact CE1-CG2 4.33Å; Y1578-V1621 HydrophobicContact CE2-CG2 4.06Å; Y1578-V1621 HydrophobicContact CG-CG1 3.95Å; I1619-V1621 HydrophobicContact CG2-CG2 4.04Å; V1621-D1623 HydrophobicContact CG1-CB 4.38Å; V1621-V1636 CarbonylContact C-O 3.53Å; V1621-V1636 WeakPolarHBondContact CA-O 3.24Å; V1621-F1637 HydrophobicContact CB-CD1 4.38Å; V1621-F1637 HydrophobicContact CB-CE1 4.47Å; V1621-F1637 HydrophobicContact CG1-CD1 4Å; V1621-F1637 HydrophobicContact CG1-CD2 4.4Å; V1621-F1637 HydrophobicContact CG1-CE1 3.8Å; V1621-F1637 HydrophobicContact CG1-CE2 4.21Å; V1621-F1637 HydrophobicContact CG1-CG 4.31Å; V1621-F1637 HydrophobicContact CG1-CZ 3.92Å; V1621-F1637 HydrophobicContact CG2-CD1 3.59Å; V1621-F1637 HydrophobicContact CG2-CE1 3.8Å; V1621-F1637 HydrophobicContact CG2-CG 4.36Å |
| 1622 | K | 96.2 | Very high | 88.7 | Confident | 126 Ų | 126 | 66.2 Ų | 66.2 | 55% | 0.548 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 100.9 | 164.5 | -171.9 | -160.5 | -179 | -146.1 | 0 | 107 | E1624 S1635 V1636 | K1622-E1624 WeakPolarHBondContact CE-OE1 3.4Å; K1622-E1624 IonicContact NZ-OE1 3.14Å; K1622-E1624 PolarHBondContact NZ-OE1 2.72Å; K1622-S1635 CarbonylContact O-C 2.88Å; K1622-S1635 VanDerWaalsContact O-CA 3.27Å; K1622-S1635 WeakPolarHBondContact O-CA 3.45Å; K1622-V1636 HydrophobicContact CB-CB 4.42Å; K1622-V1636 PolarHBondContact N-O 3.16Å; K1622-V1636 PolarHBondContact O-N 2.95Å |
| 1623 | D | 95.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | trans | -93.1 | 126.5 | -175.8 | -171.2 | -1.9 | 0 | 0 | 0 | 110.8 | Y1578 F1579 V1621 C1625 M1626 S1635 | Y1578-D1623 WeakPolarHBondContact CB-OD2 3.2Å; Y1578-D1623 HydrophobicContact CD1-CB 4.39Å; F1579-D1623 PolarHBondContact N-OD2 3.15Å; V1621-D1623 HydrophobicContact CG1-CB 4.38Å; D1623-C1625 WeakPolarHBondContact OD1-CA 3.23Å; D1623-C1625 PolarHBondContact OD1-N 2.63Å; D1623-M1626 HydrophobicContact CB-CG 4.01Å; D1623-M1626 WeakPolarHBondContact OD1-CG 3.48Å; D1623-M1626 PolarHBondContact OD1-N 3.49Å; D1623-M1626 VanDerWaalsContact OD2-CG 3.22Å; D1623-M1626 WeakPolarHBondContact OD2-CG 3.35Å; D1623-S1635 PolarHBondContact OD1-OG 2.84Å | ||
| 1624 | E | 95.5 | Very high | 91.5 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | trans | -122.9 | -1.8 | 167.9 | -53.6 | 178 | 179.4 | 0 | 0 | 111.3 | K1622 M1626 A1633 S1634 S1635 | K1622-E1624 WeakPolarHBondContact CE-OE1 3.4Å; K1622-E1624 IonicContact NZ-OE1 3.14Å; K1622-E1624 PolarHBondContact NZ-OE1 2.72Å; E1624-M1626 VanDerWaalsContact C-N 3.28Å; E1624-A1633 HydrophobicContact CB-CB 4.24Å; E1624-A1633 WeakPolarHBondContact O-CB 3.28Å; E1624-S1634 VanDerWaalsContact CB-O 3.29Å; E1624-S1634 WeakPolarHBondContact CB-O 3.42Å; E1624-S1634 WeakPolarHBondContact CG-O 3.39Å; E1624-S1635 PolarHBondContact N-OG 3.14Å | ||
| 1625 | C | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -91.4 | 11.4 | -179.8 | -67.2 | 0 | 0 | 0 | 0 | 113 | C1572 P1576 V1577 D1623 E1627 S1635 | C1572-C1625 HydrophobicContact CB-CB 3.9Å; C1572-C1625 WeakPolarHBondContact CB-SG 3.43Å; C1572-C1625 VanDerWaalsContact SG-CA 3.5Å; C1572-C1625 WeakPolarHBondContact SG-CB 3.39Å; C1572-C1625 CovalentContact SG-SG 2.02Å; C1572-C1625 PolarHBondContact SG-SG 3.49Å; P1576-C1625 WeakPolarHBondContact CA-O 3.46Å; V1577-C1625 HydrophobicContact CG2-CB 3.38Å; V1577-C1625 VanDerWaalsContact CG2-SG 3.57Å; D1623-C1625 WeakPolarHBondContact OD1-CA 3.23Å; D1623-C1625 PolarHBondContact OD1-N 2.63Å; C1625-E1627 PolarHBondContact O-N 2.97Å; C1625-S1635 VanDerWaalsContact CB-OG 3.26Å; C1625-S1635 WeakPolarHBondContact CB-OG 3.23Å; C1625-S1635 PolarHBondContact N-OG 3.29Å; C1625-S1635 VanDerWaalsContact N-OG 3.11Å; C1625-S1635 PolarHBondContact SG-OG 3.17Å | ||
| 1626 | M | 93.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | trans | -55.3 | -33.9 | -175.6 | -64.8 | -176.8 | -72 | 0 | 0 | 114.2 | F1579 V1581 D1623 E1624 | F1579-M1626 HydrophobicContact CB-CG 4.43Å; F1579-M1626 WeakPolarHBondContact O-CA 3.49Å; V1581-M1626 WeakPolarHBondContact CB-O 3.17Å; V1581-M1626 HydrophobicContact CG2-CB 3.74Å; V1581-M1626 WeakPolarHBondContact CG2-O 3.25Å; V1581-M1626 PolarHBondContact N-O 2.76Å; D1623-M1626 HydrophobicContact CB-CG 4.01Å; D1623-M1626 WeakPolarHBondContact OD1-CG 3.48Å; D1623-M1626 PolarHBondContact OD1-N 3.49Å; D1623-M1626 VanDerWaalsContact OD2-CG 3.22Å; D1623-M1626 WeakPolarHBondContact OD2-CG 3.35Å; E1624-M1626 VanDerWaalsContact C-N 3.28Å | ||
| 1627 | E | 90.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -106.6 | 139.3 | -179.7 | -67.9 | -172.4 | 171.8 | 0 | 0 | 112 | V1581 C1625 S1629 | V1581-E1627 HydrophobicContact CB-CG 4.21Å; V1581-E1627 HydrophobicContact CG1-CG 4.31Å; V1581-E1627 HydrophobicContact CG2-CG 4.21Å; C1625-E1627 PolarHBondContact O-N 2.97Å; E1627-S1629 PolarHBondContact O-N 2.92Å |
| 1628 | R | 89.9 | Confident | 94.1 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | trans | -73 | 76.2 | 171.8 | -67.9 | -172.3 | -175.9 | -131.6 | 0.8 | 110.6 | N1574 D1580 E1659 | N1574-R1628 PolarHBondContact OD1-O 3.11Å; D1580-R1628 IonicContact OD2-CZ 2.86Å; D1580-R1628 IonicContact OD2-NE 2.68Å; D1580-R1628 IonicContact OD2-NH2 3.2Å; D1580-R1628 PolarHBondContact OD2-NH2 2.84Å; R1628-E1659 IonicContact NH1-OE2 3.94Å; R1628-E1659 PolarHBondContact NH1-OE2 3.39Å | ||
| 1629 | S | 89.6 | Confident | 94.2 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | trans | -98.4 | 147.4 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | N1574 E1627 Q1631 | N1574-S1629 WeakPolarHBondContact CA-O 2.98Å; N1574-S1629 PolarHBondContact N-O 3.25Å; E1627-S1629 PolarHBondContact O-N 2.92Å; S1629-Q1631 PolarHBondContact O-N 3.16Å; S1629-Q1631 PolarHBondContact OG-N 3.08Å; S1629-Q1631 VanDerWaalsContact OG-N 3.07Å | ||
| 1630 | K | 89.8 | Confident | 94.2 | Very high | 184 Ų | 184 | 62.2 Ų | 62.2 | 80% | 0.8 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.8 | -12.5 | 167.1 | -66.8 | -173.2 | 179.6 | -177.6 | 0 | 112.7 | R1573 | R1573-K1630 VanDerWaalsContact CD-O 3.28Å; R1573-K1630 WeakPolarHBondContact CD-O 3.48Å; R1573-K1630 WeakPolarHBondContact CG-O 3.37Å |
| 1631 | Q | 92 | Very high | 94.2 | Very high | 153 Ų | 153 | 59 Ų | 59 | 72% | 0.715 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -80 | 150.3 | 171.3 | -62.6 | -172.3 | -4 | 0 | 0 | 110.3 | S1629 | S1629-Q1631 PolarHBondContact O-N 3.16Å; S1629-Q1631 PolarHBondContact OG-N 3.08Å; S1629-Q1631 VanDerWaalsContact OG-N 3.07Å |
| 1632 | K | 93.8 | Very high | 94 | Very high | 142 Ų | 142 | 66.3 Ų | 66.3 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | trans | -74.3 | 126.7 | 173.3 | 162.8 | 172.6 | 159.6 | 159 | 0 | 109.3 | T1571 C1572 | T1571-K1632 HydrophobicContact CG2-CD 3.55Å; T1571-K1632 HydrophobicContact CG2-CG 3.63Å; C1572-K1632 WeakPolarHBondContact O-CA 3.2Å | ||
| 1633 | A | 95.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C1572 E1624 | C1572-A1633 PolarHBondContact N-O 2.88Å; C1572-A1633 PolarHBondContact O-N 3.1Å; C1572-A1633 VanDerWaalsContact O-N 3.13Å; C1572-A1633 PolarHBondContact SG-O 3.33Å; C1572-A1633 VanDerWaalsContact SG-O 3.38Å; E1624-A1633 HydrophobicContact CB-CB 4.24Å; E1624-A1633 WeakPolarHBondContact O-CB 3.28Å |
| 1634 | S | 96.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 127.1 | -176.8 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | F1570 E1624 | F1570-S1634 CarbonylContact O-C 3.59Å; F1570-S1634 WeakPolarHBondContact O-CA 3.24Å; E1624-S1634 VanDerWaalsContact CB-O 3.29Å; E1624-S1634 WeakPolarHBondContact CB-O 3.42Å; E1624-S1634 WeakPolarHBondContact CG-O 3.39Å |
| 1635 | S | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.7 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.5 | T1569 F1570 K1622 D1623 E1624 C1625 | T1569-S1635 CarbonylContact C-O 3.27Å; T1569-S1635 WeakPolarHBondContact CA-O 3.38Å; F1570-S1635 PolarHBondContact N-O 3.23Å; F1570-S1635 PolarHBondContact O-N 3.42Å; K1622-S1635 CarbonylContact O-C 2.88Å; K1622-S1635 VanDerWaalsContact O-CA 3.27Å; K1622-S1635 WeakPolarHBondContact O-CA 3.45Å; D1623-S1635 PolarHBondContact OD1-OG 2.84Å; E1624-S1635 PolarHBondContact N-OG 3.14Å; C1625-S1635 VanDerWaalsContact CB-OG 3.26Å; C1625-S1635 WeakPolarHBondContact CB-OG 3.23Å; C1625-S1635 PolarHBondContact N-OG 3.29Å; C1625-S1635 VanDerWaalsContact N-OG 3.11Å; C1625-S1635 PolarHBondContact SG-OG 3.17Å |
| 1636 | V | 97.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.2 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | I1567 T1569 V1621 K1622 | I1567-V1636 HydrophobicContact CG2-CG1 3.69Å; T1569-V1636 HydrophobicContact CG2-CG2 4.04Å; V1621-V1636 CarbonylContact C-O 3.53Å; V1621-V1636 WeakPolarHBondContact CA-O 3.24Å; K1622-V1636 HydrophobicContact CB-CB 4.42Å; K1622-V1636 PolarHBondContact N-O 3.16Å; K1622-V1636 PolarHBondContact O-N 2.95Å |
| 1637 | F | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.7 | 174.5 | -64.5 | -113.7 | 0 | 0 | 0 | 108.8 | I1567 I1568 F1570 Y1578 V1590 T1602 I1619 K1620 V1621 F1639 | I1567-F1637 WeakPolarHBondContact CA-O 3.42Å; I1568-F1637 HydrophobicContact CG2-CB 3.84Å; I1568-F1637 PolarHBondContact N-O 2.65Å; I1568-F1637 PolarHBondContact O-N 2.83Å; F1570-F1637 AromaticContact CD2-CD2 3.66Å; F1570-F1637 HydrophobicContact CD2-CD2 3.66Å; F1570-F1637 AromaticContact CD2-CE2 3.59Å; F1570-F1637 HydrophobicContact CD2-CE2 3.59Å; F1570-F1637 AromaticContact CE2-CD2 3.91Å; F1570-F1637 HydrophobicContact CE2-CD2 3.91Å; F1570-F1637 AromaticContact CE2-CE2 3.98Å; F1570-F1637 HydrophobicContact CE2-CE2 3.98Å; Y1578-F1637 AromaticContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CZ 4.04Å; Y1578-F1637 HydrophobicContact CE2-CE1 4.33Å; Y1578-F1637 HydrophobicContact CG-CE1 4.37Å; Y1578-F1637 HydrophobicContact CG-CZ 4.26Å; V1590-F1637 HydrophobicContact CG2-CE1 3.93Å; V1590-F1637 HydrophobicContact CG2-CE2 4.06Å; V1590-F1637 HydrophobicContact CG2-CZ 3.48Å; V1590-F1637 VanDerWaalsContact CG2-CZ 3.48Å; T1602-F1637 HydrophobicContact CG2-CD1 4.23Å; T1602-F1637 HydrophobicContact CG2-CE1 4.21Å; I1619-F1637 HydrophobicContact CG2-CD1 4.34Å; K1620-F1637 CarbonylContact O-C 3.49Å; K1620-F1637 WeakPolarHBondContact O-CA 3.06Å; V1621-F1637 HydrophobicContact CB-CD1 4.38Å; V1621-F1637 HydrophobicContact CB-CE1 4.47Å; V1621-F1637 HydrophobicContact CG1-CD1 4Å; V1621-F1637 HydrophobicContact CG1-CD2 4.4Å; V1621-F1637 HydrophobicContact CG1-CE1 3.8Å; V1621-F1637 HydrophobicContact CG1-CE2 4.21Å; V1621-F1637 HydrophobicContact CG1-CG 4.31Å; V1621-F1637 HydrophobicContact CG1-CZ 3.92Å; V1621-F1637 HydrophobicContact CG2-CD1 3.59Å; V1621-F1637 HydrophobicContact CG2-CE1 3.8Å; V1621-F1637 HydrophobicContact CG2-CG 4.36Å; F1637-F1639 HydrophobicContact CB-CD2 4.34Å; F1637-F1639 HydrophobicContact CB-CE2 3.62Å; F1637-F1639 HydrophobicContact CB-CZ 4.28Å |
| 1638 | E | 96.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.229 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.1 | 176.4 | -176.2 | -160 | 160.9 | 0 | 0 | 108.3 | I1567 I1619 K1620 V1640 | I1567-E1638 HydrophobicContact CG1-CB 4.35Å; I1567-E1638 HydrophobicContact CG1-CG 4.08Å; I1619-E1638 WeakPolarHBondContact CA-O 3.07Å; K1620-E1638 HydrophobicContact CB-CB 4.22Å; K1620-E1638 WeakPolarHBondContact CD-OE2 3.1Å; K1620-E1638 PolarHBondContact N-O 3.46Å; K1620-E1638 IonicContact NZ-OE1 3.79Å; K1620-E1638 PolarHBondContact NZ-OE1 3.47Å; K1620-E1638 IonicContact NZ-OE2 3.6Å; K1620-E1638 PolarHBondContact NZ-OE2 3.38Å; K1620-E1638 PolarHBondContact O-N 2.84Å; E1638-V1640 HydrophobicContact CG-CG2 4.08Å; E1638-V1640 WeakPolarHBondContact OE1-CG2 3.44Å |
| 1639 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.4 | 179.5 | -67.7 | -97.4 | 0 | 0 | 0 | 109.1 | E1565 Q1566 I1568 V1592 T1602 L1617 I1619 F1637 L1647 L1649 | E1565-F1639 VanDerWaalsContact CA-O 3.31Å; E1565-F1639 WeakPolarHBondContact CA-O 3.45Å; Q1566-F1639 PolarHBondContact N-O 2.81Å; Q1566-F1639 PolarHBondContact O-N 3.01Å; I1568-F1639 HydrophobicContact CG2-CD2 4.46Å; I1568-F1639 HydrophobicContact CG2-CE2 3.8Å; V1592-F1639 HydrophobicContact CG1-CE1 4.4Å; V1592-F1639 HydrophobicContact CG1-CZ 3.87Å; V1592-F1639 HydrophobicContact CG2-CE1 3.7Å; V1592-F1639 HydrophobicContact CG2-CZ 4.04Å; T1602-F1639 HydrophobicContact CG2-CE1 4.19Å; T1602-F1639 HydrophobicContact CG2-CZ 3.91Å; L1617-F1639 HydrophobicContact CD1-CB 4.31Å; L1617-F1639 HydrophobicContact CD1-CD1 4.42Å; L1617-F1639 HydrophobicContact CD2-CD1 4.5Å; I1619-F1639 HydrophobicContact CD1-CD1 4.01Å; I1619-F1639 HydrophobicContact CD1-CE1 3.63Å; I1619-F1639 HydrophobicContact CG1-CD1 3.81Å; I1619-F1639 HydrophobicContact CG1-CE1 3.89Å; I1619-F1639 HydrophobicContact CG2-CD1 4.3Å; I1619-F1639 HydrophobicContact CG2-CE1 4.01Å; I1619-F1639 HydrophobicContact CG2-CZ 4.21Å; F1637-F1639 HydrophobicContact CB-CD2 4.34Å; F1637-F1639 HydrophobicContact CB-CE2 3.62Å; F1637-F1639 HydrophobicContact CB-CZ 4.28Å; F1639-L1647 HydrophobicContact CB-CD1 4.27Å; F1639-L1647 HydrophobicContact CB-CD2 4.21Å; F1639-L1649 HydrophobicContact CD1-CD2 4.13Å; F1639-L1649 HydrophobicContact CD2-CD1 3.8Å; F1639-L1649 HydrophobicContact CE1-CD2 4.21Å; F1639-L1649 HydrophobicContact CE2-CD1 3.73Å; F1639-L1649 HydrophobicContact CG-CD1 4.34Å; F1639-L1649 HydrophobicContact CG-CD2 4.3Å; F1639-L1649 HydrophobicContact CZ-CD1 4.22Å; F1639-L1649 HydrophobicContact CZ-CD2 4.46Å |
| 1640 | V | 95.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 100.2 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | E1565 L1617 D1618 E1638 | E1565-V1640 HydrophobicContact CG-CB 4.28Å; E1565-V1640 HydrophobicContact CG-CG1 4Å; E1565-V1640 HydrophobicContact CG-CG2 4.07Å; E1565-V1640 WeakPolarHBondContact OE1-CG1 3.41Å; E1565-V1640 WeakPolarHBondContact OE1-CG2 3.47Å; L1617-V1640 WeakPolarHBondContact CA-O 3.31Å; D1618-V1640 HydrophobicContact CB-CB 4.47Å; D1618-V1640 PolarHBondContact N-O 3.13Å; D1618-V1640 PolarHBondContact O-N 2.77Å; E1638-V1640 HydrophobicContact CG-CG2 4.08Å; E1638-V1640 WeakPolarHBondContact OE1-CG2 3.44Å |
| 1641 | A | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1563 A1564 M1616 L1617 L1646 L1647 | K1563-A1641 CarbonylContact C-O 3.45Å; K1563-A1641 VanDerWaalsContact CA-O 3.29Å; K1563-A1641 WeakPolarHBondContact CA-O 3.16Å; A1564-A1641 HydrophobicContact CB-CB 4.48Å; A1564-A1641 PolarHBondContact N-O 2.96Å; A1564-A1641 PolarHBondContact O-N 2.85Å; M1616-A1641 CarbonylContact O-C 3.51Å; M1616-A1641 WeakPolarHBondContact O-CA 3.49Å; L1617-A1641 HydrophobicContact CD1-CB 3.97Å; A1641-L1646 HydrophobicContact CB-CB 4.25Å; A1641-L1646 HydrophobicContact CB-CD1 4.46Å; A1641-L1647 HydrophobicContact CB-CD1 3.85Å; A1641-L1647 HydrophobicContact CB-CG 4.08Å |
| 1642 | R | 92 | Very high | 92.7 | Very high | 183 Ų | 183 | 33.4 Ų | 33.4 | 69% | 0.691 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -81.8 | -3.1 | 165.3 | -62.3 | -165.2 | -176.1 | -167.3 | 0.9 | 113.1 | I1615 M1616 | I1615-R1642 WeakPolarHBondContact O-CD 3.24Å; M1616-R1642 PolarHBondContact O-N 3.1Å |
| 1643 | K | 90.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 28.2 Ų | 28.2 | 38% | 0.383 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -118.3 | 100.1 | 167.7 | -84.8 | -159.8 | -176.7 | 175.5 | 0 | 107.6 | M1616 N1645 L1646 | M1616-K1643 HydrophobicContact CG-CD 4.18Å; M1616-K1643 HydrophobicContact CG-CG 4.4Å; M1616-K1643 HydrophobicContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CE 3.5Å; M1616-K1643 HydrophobicContact SD-CG 4.43Å; M1616-K1643 PolarHBondContact SD-NZ 3.37Å; K1643-N1645 WeakPolarHBondContact CB-OD1 3.37Å; K1643-N1645 PolarHBondContact O-N 2.99Å; K1643-L1646 HydrophobicContact CB-CD1 4.1Å; K1643-L1646 HydrophobicContact CB-CG 4.06Å; K1643-L1646 WeakPolarHBondContact O-CB 3.46Å; K1643-L1646 WeakPolarHBondContact O-CG 3.44Å; K1643-L1646 PolarHBondContact O-N 3.19Å |
| 1644 | P | 91.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 8% | 0.078 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -56.7 | -27.7 | -174.2 | -27.4 | 34.4 | 0 | 0 | 0 | 114 | Q1558 H1561 A1564 L1646 L1647 F1673 | Q1558-P1644 HydrophobicContact CB-CB 4.02Å; Q1558-P1644 HydrophobicContact CG-CB 4.11Å; Q1558-P1644 PolarHBondContact NE2-O 3.46Å; H1561-P1644 WeakPolarHBondContact O-CG 3.46Å; A1564-P1644 HydrophobicContact CB-CB 4.27Å; P1644-L1646 PolarHBondContact O-N 3.36Å; P1644-L1647 PolarHBondContact O-N 2.89Å; P1644-L1647 VanDerWaalsContact O-N 3.13Å; P1644-L1647 VanDerWaalsContact O-O 3.06Å; P1644-F1673 HydrophobicContact CB-CD1 4.26Å; P1644-F1673 HydrophobicContact CB-CE1 4.34Å |
| 1645 | N | 90.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 28.3 Ų | 28.3 | 30% | 0.299 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -61.6 | -11.4 | -179.9 | 71 | -88.2 | 0 | 0 | 0 | 115.4 | K1643 | K1643-N1645 WeakPolarHBondContact CB-OD1 3.37Å; K1643-N1645 PolarHBondContact O-N 2.99Å |
| 1646 | L | 91.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -80.6 | -28.8 | 176.7 | -60.7 | -175.7 | 0 | 0 | 0 | 112.7 | L1594 F1595 D1596 M1616 L1617 A1641 K1643 P1644 | L1594-L1646 WeakPolarHBondContact CB-O 3.35Å; L1594-L1646 HydrophobicContact CD1-CB 3.9Å; L1594-L1646 HydrophobicContact CD1-CD2 3.9Å; L1594-L1646 HydrophobicContact CD1-CG 4.3Å; F1595-L1646 PolarHBondContact N-O 2.88Å; D1596-L1646 WeakPolarHBondContact OD2-CD2 3.32Å; M1616-L1646 HydrophobicContact CB-CD1 4.17Å; L1617-L1646 HydrophobicContact CB-CD1 4.06Å; A1641-L1646 HydrophobicContact CB-CB 4.25Å; A1641-L1646 HydrophobicContact CB-CD1 4.46Å; K1643-L1646 HydrophobicContact CB-CD1 4.1Å; K1643-L1646 HydrophobicContact CB-CG 4.06Å; K1643-L1646 WeakPolarHBondContact O-CB 3.46Å; K1643-L1646 WeakPolarHBondContact O-CG 3.44Å; K1643-L1646 PolarHBondContact O-N 3.19Å; P1644-L1646 PolarHBondContact O-N 3.36Å |
| 1647 | L | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -112.4 | 148.4 | -176.5 | -73.5 | 178.2 | 0 | 0 | 0 | 110.9 | Q1558 A1564 Q1566 F1639 A1641 P1644 L1649 V1671 | Q1558-L1647 PolarHBondContact NE2-O 2.81Å; A1564-L1647 HydrophobicContact CB-CB 4.02Å; A1564-L1647 HydrophobicContact CB-CD1 4.04Å; Q1566-L1647 HydrophobicContact CB-CD1 4.15Å; Q1566-L1647 HydrophobicContact CB-CD2 4.33Å; F1639-L1647 HydrophobicContact CB-CD1 4.27Å; F1639-L1647 HydrophobicContact CB-CD2 4.21Å; A1641-L1647 HydrophobicContact CB-CD1 3.85Å; A1641-L1647 HydrophobicContact CB-CG 4.08Å; P1644-L1647 PolarHBondContact O-N 2.89Å; P1644-L1647 VanDerWaalsContact O-N 3.13Å; P1644-L1647 VanDerWaalsContact O-O 3.06Å; L1647-L1649 HydrophobicContact CD2-CD2 3.75Å; L1647-L1649 HydrophobicContact CD2-CG 3.94Å; L1647-V1671 HydrophobicContact CB-CG2 4.17Å | ||
| 1648 | P | 90.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | S | Bend | cis | -90.3 | 167.9 | 14.3 | 37 | -41.3 | 0 | 0 | 0 | 117 | F1542 F1595 V1650 V1671 | F1542-P1648 HydrophobicContact CD2-CB 3.85Å; F1542-P1648 HydrophobicContact CD2-CG 3.87Å; F1542-P1648 HydrophobicContact CE2-CB 3.47Å; F1542-P1648 VanDerWaalsContact CE2-CB 3.47Å; F1542-P1648 HydrophobicContact CE2-CG 4.02Å; F1542-P1648 HydrophobicContact CZ-CB 4Å; F1595-P1648 WeakPolarHBondContact CB-O 3.48Å; F1595-P1648 HydrophobicContact CD2-CG 4.02Å; F1595-P1648 HydrophobicContact CE2-CG 4.44Å; F1595-P1648 PolarHBondContact N-O 3.25Å; P1648-V1650 PolarHBondContact O-N 3.16Å; P1648-V1671 HydrophobicContact CB-CB 3.88Å; P1648-V1671 HydrophobicContact CB-CG1 3.86Å; P1648-V1671 HydrophobicContact CB-CG2 4.05Å; P1648-V1671 HydrophobicContact CG-CG1 4.28Å |
| 1649 | L | 89 | Confident | 88.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -68.9 | 106.2 | -177.3 | -61.6 | 176.6 | 0 | 0 | 0 | 114.8 | F1542 I1568 V1592 K1593 L1594 F1639 L1647 | F1542-L1649 HydrophobicContact CE2-CB 4.45Å; F1542-L1649 WeakPolarHBondContact CE2-O 3.35Å; I1568-L1649 HydrophobicContact CG2-CD1 4.36Å; V1592-L1649 HydrophobicContact CB-CD2 4.24Å; V1592-L1649 HydrophobicContact CG2-CD2 4.16Å; K1593-L1649 CarbonylContact O-C 3.54Å; L1594-L1649 HydrophobicContact CD2-CD2 3.83Å; F1639-L1649 HydrophobicContact CD1-CD2 4.13Å; F1639-L1649 HydrophobicContact CD2-CD1 3.8Å; F1639-L1649 HydrophobicContact CE1-CD2 4.21Å; F1639-L1649 HydrophobicContact CE2-CD1 3.73Å; F1639-L1649 HydrophobicContact CG-CD1 4.34Å; F1639-L1649 HydrophobicContact CG-CD2 4.3Å; F1639-L1649 HydrophobicContact CZ-CD1 4.22Å; F1639-L1649 HydrophobicContact CZ-CD2 4.46Å; L1647-L1649 HydrophobicContact CD2-CD2 3.75Å; L1647-L1649 HydrophobicContact CD2-CG 3.94Å | ||
| 1650 | V | 85.5 | Confident | 88 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | trans | -65.6 | -45.4 | -173.8 | 175.1 | 0 | 0 | 0 | 0 | 113.4 | V1540 K1593 L1594 F1595 P1648 | V1540-V1650 CarbonylContact C-O 3.6Å; V1540-V1650 VanDerWaalsContact O-O 3.13Å; K1593-V1650 HydrophobicContact CB-CB 4.45Å; K1593-V1650 HydrophobicContact CD-CG1 4.35Å; K1593-V1650 HydrophobicContact CG-CB 4.34Å; K1593-V1650 PolarHBondContact O-N 3Å; L1594-V1650 VanDerWaalsContact O-CG2 3.23Å; L1594-V1650 WeakPolarHBondContact O-CG2 3.38Å; F1595-V1650 HydrophobicContact CD2-CG2 4.49Å; P1648-V1650 PolarHBondContact O-N 3.16Å | ||
| 1651 | D | 87.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 168.7 | -175.7 | -160.5 | -2.8 | 0 | 0 | 0 | 110.5 | W1522 S1524 K1593 | W1522-D1651 HydrophobicContact CE3-CB 3.72Å; W1522-D1651 VanDerWaalsContact CE3-CG 3.49Å; W1522-D1651 HydrophobicContact CZ3-CB 4.03Å; S1524-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1524-D1651 PolarHBondContact N-OD1 2.75Å; S1524-D1651 PolarHBondContact OG-OD2 3.13Å; K1593-D1651 HydrophobicContact CB-CB 4.21Å; K1593-D1651 PolarHBondContact N-O 3.1Å |
| 1652 | I | 89.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.1 | -175.4 | -61.5 | 149.7 | 0 | 0 | 0 | 108.6 | W1522 I1523 V1540 I1568 F1570 V1590 V1592 L1654 M1668 | W1522-I1652 CarbonylContact C-O 3.56Å; W1522-I1652 VanDerWaalsContact CA-O 3.29Å; W1522-I1652 WeakPolarHBondContact CA-O 3.41Å; W1522-I1652 VanDerWaalsContact CE3-C 3.42Å; I1523-I1652 HydrophobicContact CD1-CB 3.82Å; I1523-I1652 HydrophobicContact CD1-CD1 4.08Å; I1523-I1652 HydrophobicContact CD1-CG2 3.83Å; I1523-I1652 HydrophobicContact CG1-CB 4.15Å; I1523-I1652 HydrophobicContact CG1-CG2 4.31Å; I1523-I1652 PolarHBondContact N-O 2.66Å; V1540-I1652 HydrophobicContact CG1-CD1 4.4Å; I1568-I1652 HydrophobicContact CD1-CD1 3.31Å; I1568-I1652 HydrophobicContact CD1-CG1 4.3Å; F1570-I1652 HydrophobicContact CE1-CD1 4.31Å; F1570-I1652 HydrophobicContact CE1-CG2 3.96Å; F1570-I1652 HydrophobicContact CZ-CD1 4.09Å; F1570-I1652 HydrophobicContact CZ-CG1 4.4Å; F1570-I1652 HydrophobicContact CZ-CG2 3.73Å; V1590-I1652 HydrophobicContact CB-CG2 4.4Å; V1590-I1652 HydrophobicContact CG1-CG2 3.51Å; V1592-I1652 HydrophobicContact CG1-CG1 4.44Å; I1652-L1654 HydrophobicContact CG2-CD2 4.31Å; I1652-M1668 HydrophobicContact CD1-SD 4.28Å |
| 1653 | Q | 90.5 | Very high | 87.3 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.9 | 174.8 | 177.1 | 177.7 | 34.8 | 0 | 0 | 111.4 | W1521 W1522 V1590 I1591 | W1521-Q1653 CarbonylContact O-C 3.55Å; W1521-Q1653 VanDerWaalsContact O-CA 3.29Å; W1521-Q1653 WeakPolarHBondContact O-CA 3.5Å; W1522-Q1653 HydrophobicContact CD2-CB 3.7Å; W1522-Q1653 HydrophobicContact CD2-CG 4.42Å; W1522-Q1653 HydrophobicContact CE3-CB 3.68Å; W1522-Q1653 HydrophobicContact CG-CB 4.3Å; W1522-Q1653 HydrophobicContact CH2-CB 3.9Å; W1522-Q1653 HydrophobicContact CZ2-CB 3.92Å; W1522-Q1653 HydrophobicContact CZ3-CB 3.78Å; V1590-Q1653 WeakPolarHBondContact CG1-O 3.3Å; I1591-Q1653 HydrophobicContact CB-CB 3.97Å; I1591-Q1653 HydrophobicContact CG2-CB 4.09Å; I1591-Q1653 PolarHBondContact N-O 2.81Å; I1591-Q1653 PolarHBondContact O-N 2.93Å |
| 1654 | L | 89.6 | Confident | 87.3 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 135 | 171.9 | -49.7 | -178.7 | 0 | 0 | 0 | 109.5 | D1520 W1521 I1523 L1526 V1590 I1652 F1657 I1664 | D1520-L1654 CarbonylContact C-O 3.58Å; D1520-L1654 VanDerWaalsContact CA-O 3.29Å; D1520-L1654 WeakPolarHBondContact CA-O 3.37Å; W1521-L1654 PolarHBondContact N-O 3.03Å; W1521-L1654 PolarHBondContact O-N 3.13Å; I1523-L1654 HydrophobicContact CD1-CD2 4.27Å; I1523-L1654 HydrophobicContact CD1-CG 4.49Å; I1523-L1654 HydrophobicContact CG1-CD1 4.34Å; I1523-L1654 HydrophobicContact CG1-CD2 4.4Å; I1523-L1654 HydrophobicContact CG1-CG 4.12Å; L1526-L1654 HydrophobicContact CD1-CD1 4.01Å; V1590-L1654 HydrophobicContact CG1-CD2 3.6Å; I1652-L1654 HydrophobicContact CG2-CD2 4.31Å; L1654-F1657 HydrophobicContact CB-CB 3.86Å; L1654-F1657 HydrophobicContact CB-CG 4.34Å; L1654-F1657 HydrophobicContact CD1-CB 4.27Å; L1654-F1657 HydrophobicContact CD1-CD1 3.95Å; L1654-F1657 HydrophobicContact CD1-CD2 4.15Å; L1654-F1657 HydrophobicContact CD1-CE1 4.42Å; L1654-F1657 HydrophobicContact CD1-CG 3.82Å; L1654-I1664 HydrophobicContact CD1-CD1 3.96Å; L1654-I1664 HydrophobicContact CD1-CG2 3.77Å; L1654-I1664 HydrophobicContact CD2-CD1 3.6Å; L1654-I1664 HydrophobicContact CG-CD1 4.44Å |
| 1655 | K | 87.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 30.1 Ų | 30.1 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -100.3 | 150 | 171 | -73.8 | 179.8 | 177.6 | 162.9 | 0 | 111.1 | D1520 K1587 D1601 F1657 | D1520-K1655 WeakPolarHBondContact OD1-CA 3.37Å; K1587-K1655 WeakPolarHBondContact O-CB 3.21Å; K1587-K1655 WeakPolarHBondContact O-CD 3.46Å; D1601-K1655 IonicContact OD2-NZ 3.3Å; D1601-K1655 PolarHBondContact OD2-NZ 3.49Å; K1655-F1657 PolarHBondContact O-N 2.86Å; K1655-F1657 VanDerWaalsContact O-N 3.12Å |
| 1656 | E | 83.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 27.7 Ų | 27.7 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 48.5 | 33.6 | -178.3 | -59 | -165.6 | 154.3 | 0 | 0 | 116.1 | K1519 D1520 N1588 | K1519-E1656 PolarHBondContact O-N 3.15Å; K1519-E1656 VanDerWaalsContact O-N 3.16Å; D1520-E1656 PolarHBondContact OD1-N 3.45Å; N1588-E1656 PolarHBondContact ND2-OE2 2.9Å; N1588-E1656 VanDerWaalsContact OD1-CB 3.26Å; N1588-E1656 WeakPolarHBondContact OD1-CB 3.14Å; N1588-E1656 VanDerWaalsContact OD1-CD 3.23Å; N1588-E1656 WeakPolarHBondContact OD1-CG 3.4Å; N1588-E1656 PolarHBondContact OD1-OE2 2.61Å; N1588-E1656 VanDerWaalsContact OD1-OE2 3.12Å |
| 1657 | F | 84.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | trans | -96.7 | 155.3 | -174.6 | -172.8 | -97.6 | 0 | 0 | 0 | 114.3 | F1512 K1514 K1519 T1575 L1654 K1655 Q1662 I1664 | F1512-F1657 HydrophobicContact CB-CE1 4.16Å; F1512-F1657 AromaticContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CZ 4.09Å; K1514-F1657 WeakPolarHBondContact CE-O 3.48Å; K1514-F1657 PolarHBondContact NZ-O 3.13Å; K1519-F1657 PolarHBondContact O-N 3.35Å; T1575-F1657 HydrophobicContact CG2-CD2 3.64Å; T1575-F1657 HydrophobicContact CG2-CE2 3.82Å; L1654-F1657 HydrophobicContact CB-CB 3.86Å; L1654-F1657 HydrophobicContact CB-CG 4.34Å; L1654-F1657 HydrophobicContact CD1-CB 4.27Å; L1654-F1657 HydrophobicContact CD1-CD1 3.95Å; L1654-F1657 HydrophobicContact CD1-CD2 4.15Å; L1654-F1657 HydrophobicContact CD1-CE1 4.42Å; L1654-F1657 HydrophobicContact CD1-CG 3.82Å; K1655-F1657 PolarHBondContact O-N 2.86Å; K1655-F1657 VanDerWaalsContact O-N 3.12Å; F1657-Q1662 HydrophobicContact CD2-CB 4.33Å; F1657-Q1662 HydrophobicContact CE2-CB 3.78Å; F1657-Q1662 HydrophobicContact CZ-CB 4.32Å; F1657-I1664 HydrophobicContact CD2-CG2 4.44Å; F1657-I1664 HydrophobicContact CE1-CG2 4.32Å; F1657-I1664 HydrophobicContact CE2-CB 4.06Å; F1657-I1664 HydrophobicContact CE2-CG2 3.69Å; F1657-I1664 HydrophobicContact CZ-CB 4.4Å; F1657-I1664 HydrophobicContact CZ-CG2 3.63Å | ||
| 1658 | G | 75.1 | Confident | 87.2 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | trans | 100.4 | 35.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1514 | K1514-G1658 WeakPolarHBondContact CD-O 3.22Å; K1514-G1658 WeakPolarHBondContact CE-O 2.99Å; K1514-G1658 PolarHBondContact NZ-O 3.12Å | ||
| 1659 | E | 80.5 | Confident | 87.2 | Confident | 105 Ų | 105 | 33.1 Ų | 33.1 | 49% | 0.491 | 17% | 0.174 | S | C | . | . | trans | -71.9 | 157.4 | 156.4 | -61.5 | -177.4 | 145.4 | 0 | 0 | 109.5 | N1511 R1628 D1661 Q1662 | N1511-E1659 PolarHBondContact ND2-O 3.17Å; R1628-E1659 IonicContact NH1-OE2 3.94Å; R1628-E1659 PolarHBondContact NH1-OE2 3.39Å; E1659-D1661 PolarHBondContact O-N 2.83Å; E1659-Q1662 HydrophobicContact CB-CG 4.05Å; E1659-Q1662 PolarHBondContact O-N 2.86Å | ||
| 1660 | S | 78.8 | Confident | 87.3 | Confident | 120 Ų | 120 | 33.3 Ų | 33.3 | 84% | 0.839 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11 | -169.2 | 49.4 | 0 | 0 | 0 | 0 | 115 | N1511 | N1511-S1660 PolarHBondContact ND2-O 3.07Š|
| 1661 | D | 86 | Confident | 87.6 | Confident | 77 Ų | 77 | 32.4 Ų | 32.4 | 41% | 0.412 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -4.2 | 177.4 | 65.1 | -4.6 | 0 | 0 | 0 | 113.7 | N1574 E1659 | N1574-D1661 PolarHBondContact ND2-OD1 3.44Å; N1574-D1661 PolarHBondContact ND2-OD2 3.26Å; E1659-D1661 PolarHBondContact O-N 2.83Å |
| 1662 | Q | 89 | Confident | 88 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -79.3 | 127.6 | 176.3 | -75.3 | -178.1 | -32.4 | 0 | 0 | 110.9 | N1511 T1575 F1657 E1659 | N1511-Q1662 PolarHBondContact ND2-O 3.06Å; T1575-Q1662 WeakPolarHBondContact OG1-CB 2.99Å; F1657-Q1662 HydrophobicContact CD2-CB 4.33Å; F1657-Q1662 HydrophobicContact CE2-CB 3.78Å; F1657-Q1662 HydrophobicContact CZ-CB 4.32Å; E1659-Q1662 HydrophobicContact CB-CG 4.05Å; E1659-Q1662 PolarHBondContact O-N 2.86Å | ||
| 1663 | E | 90.9 | Very high | 88.3 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141 | 171.8 | -61.9 | 174 | -176 | 0 | 0 | 110 | L1509 T1510 N1511 R1573 T1575 | L1509-E1663 HydrophobicContact CD1-CB 3.73Å; L1509-E1663 WeakPolarHBondContact CD1-O 3Å; L1509-E1663 WeakPolarHBondContact CD2-OE2 3.45Å; L1509-E1663 HydrophobicContact CG-CB 3.8Å; L1509-E1663 WeakPolarHBondContact CG-OE2 3.29Å; T1510-E1663 WeakPolarHBondContact O-CA 3.37Å; N1511-E1663 HydrophobicContact CB-CG 4.14Å; R1573-E1663 HydrophobicContact CB-CB 4.19Å; R1573-E1663 IonicContact CZ-OE1 2.86Å; R1573-E1663 IonicContact CZ-OE2 2.86Å; R1573-E1663 PolarHBondContact N-O 3.46Å; R1573-E1663 IonicContact NE-OE2 2.62Å; R1573-E1663 IonicContact NH1-OE1 3.12Å; R1573-E1663 PolarHBondContact NH1-OE1 3.03Å; R1573-E1663 IonicContact NH1-OE2 3.83Å; R1573-E1663 PolarHBondContact NH1-OE2 3.11Å; R1573-E1663 IonicContact NH2-OE1 3.83Å; R1573-E1663 PolarHBondContact NH2-OE1 3.11Å; R1573-E1663 IonicContact NH2-OE2 3.93Å; R1573-E1663 PolarHBondContact O-N 3.18Å; R1573-E1663 VanDerWaalsContact O-O 3.11Å; T1575-E1663 PolarHBondContact OG1-N 2.7Å; T1575-E1663 PolarHBondContact OG1-O 3.42Å |
| 1664 | I | 90.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.1 | 175.7 | -166.3 | 170 | 0 | 0 | 0 | 110.4 | T1510 F1512 F1570 T1571 V1577 L1654 F1657 | T1510-I1664 PolarHBondContact N-O 3.16Å; T1510-I1664 PolarHBondContact O-N 3.18Å; F1512-I1664 HydrophobicContact CD2-CG2 4Å; F1512-I1664 HydrophobicContact CE2-CG2 3.61Å; F1512-I1664 WeakPolarHBondContact CE2-O 3Å; F1570-I1664 HydrophobicContact CD1-CD1 4.07Å; F1570-I1664 HydrophobicContact CD1-CG1 4.46Å; T1571-I1664 CarbonylContact O-C 3.55Å; T1571-I1664 WeakPolarHBondContact O-CA 3.1Å; V1577-I1664 HydrophobicContact CG1-CD1 3.49Å; V1577-I1664 VanDerWaalsContact CG1-CD1 3.49Å; L1654-I1664 HydrophobicContact CD1-CD1 3.96Å; L1654-I1664 HydrophobicContact CD1-CG2 3.77Å; L1654-I1664 HydrophobicContact CD2-CD1 3.6Å; L1654-I1664 HydrophobicContact CG-CD1 4.44Å; F1657-I1664 HydrophobicContact CD2-CG2 4.44Å; F1657-I1664 HydrophobicContact CE1-CG2 4.32Å; F1657-I1664 HydrophobicContact CE2-CB 4.06Å; F1657-I1664 HydrophobicContact CE2-CG2 3.69Å; F1657-I1664 HydrophobicContact CZ-CB 4.4Å; F1657-I1664 HydrophobicContact CZ-CG2 3.63Å |
| 1665 | G | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 169.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q1507 F1570 T1571 | Q1507-G1665 CarbonylContact O-C 3.53Å; Q1507-G1665 WeakPolarHBondContact O-CA 3.33Å; F1570-G1665 CarbonylContact C-O 3.52Å; F1570-G1665 WeakPolarHBondContact CA-O 3.08Å; T1571-G1665 PolarHBondContact N-O 3.11Å; T1571-G1665 PolarHBondContact O-N 3.08Å; T1571-G1665 VanDerWaalsContact O-O 3.1Å |
| 1666 | Y | 91.2 | Very high | 88.3 | Confident | 6 Ų | 6 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.9 | 175.2 | 66.7 | -97.8 | 0 | 0 | 0 | 110.9 | T1504 T1506 Q1507 I1523 V1540 I1568 T1569 M1668 | T1504-Y1666 WeakPolarHBondContact O-CE2 3.33Å; T1504-Y1666 PolarHBondContact O-OH 2.97Å; T1506-Y1666 WeakPolarHBondContact CA-O 3.5Å; Q1507-Y1666 HydrophobicContact CB-CD1 3.44Å; Q1507-Y1666 VanDerWaalsContact CB-CD1 3.44Å; Q1507-Y1666 HydrophobicContact CB-CD2 4.3Å; Q1507-Y1666 HydrophobicContact CB-CE1 3.17Å; Q1507-Y1666 HydrophobicContact CB-CE2 4.08Å; Q1507-Y1666 HydrophobicContact CB-CG 3.98Å; Q1507-Y1666 HydrophobicContact CG-CD1 3.92Å; Q1507-Y1666 HydrophobicContact CG-CE1 3.69Å; Q1507-Y1666 PolarHBondContact N-O 2.71Å; Q1507-Y1666 PolarHBondContact O-N 3.04Å; I1523-Y1666 HydrophobicContact CD1-CD1 3.88Å; I1523-Y1666 HydrophobicContact CD1-CE1 3.99Å; I1523-Y1666 HydrophobicContact CG2-CE1 4.02Å; V1540-Y1666 HydrophobicContact CG2-CE1 4.21Å; I1568-Y1666 HydrophobicContact CD1-CD2 4.36Å; I1568-Y1666 HydrophobicContact CD1-CG 4.48Å; T1569-Y1666 CarbonylContact O-C 3.53Å; T1569-Y1666 VanDerWaalsContact O-CA 3.25Å; T1569-Y1666 WeakPolarHBondContact O-CA 3.36Å; Y1666-M1668 HydrophobicContact CD2-CG 3.83Å; Y1666-M1668 HydrophobicContact CD2-SD 3.78Å; Y1666-M1668 HydrophobicContact CE2-CG 4.01Å; Y1666-M1668 HydrophobicContact CE2-SD 3.4Å; Y1666-M1668 WeakPolarHBondContact CE2-SD 3.37Å |
| 1667 | Y | 92.2 | Very high | 88.6 | Confident | 89 Ų | 89 | 30.9 Ų | 30.9 | 35% | 0.349 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.7 | 167.4 | 175.2 | -92.8 | 0 | 0 | 0 | 108.1 | K1505 T1506 I1568 T1569 D1669 | K1505-Y1667 HydrophobicContact CG-CE2 4.09Å; K1505-Y1667 WeakPolarHBondContact O-CA 3.23Å; T1506-Y1667 HydrophobicContact CG2-CD2 4.18Å; I1568-Y1667 CarbonylContact C-O 3.41Å; I1568-Y1667 WeakPolarHBondContact CA-O 3.27Å; T1569-Y1667 PolarHBondContact N-O 3.1Å; T1569-Y1667 PolarHBondContact O-N 3.32Å; Y1667-D1669 HydrophobicContact CE1-CB 4.13Å |
| 1668 | M | 89.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.8 | 173.7 | -76.9 | 158.6 | 70 | 0 | 0 | 108.6 | P1500 K1505 V1540 F1542 I1568 I1652 Y1666 | P1500-M1668 HydrophobicContact CG-CB 4.29Å; P1500-M1668 VanDerWaalsContact CG-O 3.25Å; P1500-M1668 WeakPolarHBondContact CG-O 3.39Å; K1505-M1668 PolarHBondContact O-N 2.72Å; V1540-M1668 HydrophobicContact CG1-CE 4.01Å; V1540-M1668 HydrophobicContact CG1-SD 3.97Å; F1542-M1668 HydrophobicContact CD1-CE 4.44Å; F1542-M1668 HydrophobicContact CE1-CE 3.61Å; F1542-M1668 HydrophobicContact CE2-CE 3.77Å; F1542-M1668 HydrophobicContact CZ-CE 3.18Å; I1568-M1668 HydrophobicContact CB-CG 4.32Å; I1568-M1668 HydrophobicContact CD1-CG 3.52Å; I1568-M1668 HydrophobicContact CD1-SD 4.17Å; I1568-M1668 HydrophobicContact CG1-CG 3.77Å; I1652-M1668 HydrophobicContact CD1-SD 4.28Å; Y1666-M1668 HydrophobicContact CD2-CG 3.83Å; Y1666-M1668 HydrophobicContact CD2-SD 3.78Å; Y1666-M1668 HydrophobicContact CE2-CG 4.01Å; Y1666-M1668 HydrophobicContact CE2-SD 3.4Å; Y1666-M1668 WeakPolarHBondContact CE2-SD 3.37Å |
| 1669 | D | 90.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 172.1 | 172.8 | -154.8 | -12.3 | 0 | 0 | 0 | 110.4 | Q1566 I1567 Y1667 | Q1566-D1669 PolarHBondContact NE2-O 3.08Å; Q1566-D1669 VanDerWaalsContact NE2-O 3.12Å; I1567-D1669 HydrophobicContact CB-CB 4.12Å; I1567-D1669 WeakPolarHBondContact O-CB 3.13Å; I1567-D1669 PolarHBondContact O-N 2.97Å; Y1667-D1669 HydrophobicContact CE1-CB 4.13Å |
| 1670 | A | 90.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 146.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1497 I1498 K1499 | C1497-A1670 HydrophobicContact CB-CB 3.99Å; I1498-A1670 CarbonylContact O-C 3.55Å; I1498-A1670 WeakPolarHBondContact O-CA 3.25Å; I1498-A1670 WeakPolarHBondContact O-CB 3.34Å; K1499-A1670 HydrophobicContact CG-CB 3.99Å |
| 1671 | V | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.7 | 162.2 | 57.6 | 0 | 0 | 0 | 0 | 108 | C1497 I1498 E1565 Q1566 L1647 P1648 F1673 | C1497-V1671 CarbonylContact C-O 3.57Å; C1497-V1671 VanDerWaalsContact CA-O 3.29Å; C1497-V1671 WeakPolarHBondContact CA-O 3.37Å; I1498-V1671 HydrophobicContact CB-CG1 4.01Å; I1498-V1671 HydrophobicContact CD1-CG1 4.37Å; I1498-V1671 HydrophobicContact CG1-CG1 4.19Å; I1498-V1671 PolarHBondContact N-O 3Å; I1498-V1671 PolarHBondContact O-N 3.33Å; E1565-V1671 WeakPolarHBondContact O-CA 3.24Å; Q1566-V1671 HydrophobicContact CB-CB 4.48Å; L1647-V1671 HydrophobicContact CB-CG2 4.17Å; P1648-V1671 HydrophobicContact CB-CB 3.88Å; P1648-V1671 HydrophobicContact CB-CG1 3.86Å; P1648-V1671 HydrophobicContact CB-CG2 4.05Å; P1648-V1671 HydrophobicContact CG-CG1 4.28Å; V1671-F1673 HydrophobicContact CB-CE2 4.42Å; V1671-F1673 HydrophobicContact CG1-CE2 3.85Å; V1671-F1673 HydrophobicContact CG1-CZ 4.32Å; V1671-F1673 HydrophobicContact CG2-CD2 4.47Å; V1671-F1673 HydrophobicContact CG2-CE1 4.37Å; V1671-F1673 HydrophobicContact CG2-CE2 3.8Å; V1671-F1673 HydrophobicContact CG2-CZ 3.74Å |
| 1672 | C | 94.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 7% | 0.074 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | -179.4 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | E1495 C1497 A1564 E1565 | E1495-C1672 HydrophobicContact CB-CB 4.39Å; C1497-C1672 HydrophobicContact CB-CB 4.14Å; C1497-C1672 WeakPolarHBondContact CB-SG 3.43Å; C1497-C1672 WeakPolarHBondContact SG-CB 3.46Å; C1497-C1672 CovalentContact SG-SG 2.04Å; C1497-C1672 PolarHBondContact SG-SG 2.88Å; A1564-C1672 CarbonylContact C-O 3.6Å; A1564-C1672 VanDerWaalsContact CA-O 3.31Å; A1564-C1672 WeakPolarHBondContact CA-O 3.28Å; E1565-C1672 PolarHBondContact N-O 3.49Å; E1565-C1672 PolarHBondContact O-N 3.47Å |
| 1673 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.8 | 176.9 | -61 | -87.2 | 0 | 0 | 0 | 110.5 | E1495 T1496 I1498 I1554 L1557 Q1558 H1561 K1563 A1564 P1644 V1671 | E1495-F1673 WeakPolarHBondContact CA-O 3.3Å; T1496-F1673 PolarHBondContact N-O 3.49Å; T1496-F1673 PolarHBondContact O-N 3.13Å; I1498-F1673 HydrophobicContact CD1-CD2 4.41Å; I1498-F1673 HydrophobicContact CD1-CE2 3.77Å; I1498-F1673 HydrophobicContact CG1-CD2 4.43Å; I1498-F1673 HydrophobicContact CG1-CE2 4.11Å; I1554-F1673 HydrophobicContact CG2-CZ 4.34Å; L1557-F1673 HydrophobicContact CB-CD2 4.43Å; L1557-F1673 HydrophobicContact CD1-CD2 4.4Å; Q1558-F1673 HydrophobicContact CG-CE1 3.86Å; Q1558-F1673 HydrophobicContact CG-CZ 4.4Å; H1561-F1673 HydrophobicContact CB-CB 3.87Å; H1561-F1673 VanDerWaalsContact CD2-C 3.41Å; H1561-F1673 PolarHBondContact CD2-O 3.34Å; H1561-F1673 VanDerWaalsContact CG-CB 3.49Å; K1563-F1673 WeakPolarHBondContact O-CA 3.31Å; A1564-F1673 HydrophobicContact CB-CD1 3.69Å; A1564-F1673 HydrophobicContact CB-CE1 3.76Å; P1644-F1673 HydrophobicContact CB-CD1 4.26Å; P1644-F1673 HydrophobicContact CB-CE1 4.34Å; V1671-F1673 HydrophobicContact CB-CE2 4.42Å; V1671-F1673 HydrophobicContact CG1-CE2 3.85Å; V1671-F1673 HydrophobicContact CG1-CZ 4.32Å; V1671-F1673 HydrophobicContact CG2-CD2 4.47Å; V1671-F1673 HydrophobicContact CG2-CE1 4.37Å; V1671-F1673 HydrophobicContact CG2-CE2 3.8Å; V1671-F1673 HydrophobicContact CG2-CZ 3.74Å |
| 1674 | S | 91.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 17.8 Ų | 17.8 | 28% | 0.28 | 9% | 0.091 | S | C | . | . | trans | -143.1 | 0 | -175.3 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | H1561 S1562 K1563 | H1561-S1674 PolarHBondContact CD2-N 3.47Å; S1562-S1674 PolarHBondContact N-O 3.34Å; S1562-S1674 PolarHBondContact OG-O 3.06Å; K1563-S1674 WeakPolarHBondContact CB-OG 3.47Å; K1563-S1674 PolarHBondContact N-O 3.49Å; K1563-S1674 PolarHBondContact O-N 3.25Å |
Retrieved 1,674 of 1,674 residues in 255.3 ms
(Link to these results)