| 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 | 42.4 | Very low | 43.1 | Very low | 239 Ų | 239 | 156.5 Ų | 156.5 | 100% | 1.177 | 82% | 0.823 | S | S | * | * | 0 | 102 | 0 | -77.3 | 151 | 156.2 | 0 | 0 | 108.1 | |||||
| 2 | T | 49.1 | Very low | 42.7 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 173.6 | 86.9 | 148 | 45.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | H | 39.3 | Very low | 42.9 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -76.8 | 121.7 | 163.1 | -94.5 | -100 | 0 | 0 | 0 | 107.8 | ||||
| 4 | F | 48.3 | Very low | 43.1 | Very low | 200 Ų | 200 | 154.4 Ų | 154.4 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -95.4 | 111.3 | 165.6 | -97.8 | -88.9 | 0 | 0 | 0 | 109.1 | ||||
| 5 | H | 43.4 | Very low | 43.7 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -74.8 | 145.7 | 173.7 | -105.4 | -99.4 | 0 | 0 | 0 | 111.3 | ||||
| 6 | R | 36.4 | Very low | 44.1 | Very low | 202 Ų | 202 | 144.3 Ų | 144.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -71.5 | 146.4 | -176.1 | -165.2 | 175.4 | -171.8 | 171.5 | 0.4 | 112.2 | D8 | R6-D8 IonicContact CZ-OD2 3.3Å; R6-D8 VanDerWaalsContact CZ-OD2 3.3Å; R6-D8 IonicContact NE-OD2 2.72Å; R6-D8 PolarHBondContact NE-OD2 3.14Å; R6-D8 IonicContact NH2-OD2 2.99Å; R6-D8 PolarHBondContact NH2-OD2 3.14Å | ||
| 7 | S | 43.2 | Very low | 44.9 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -142.4 | 83.2 | 158.5 | -62.7 | 0 | 0 | 0 | 0 | 108.5 | S9 | S7-S9 PolarHBondContact O-N 3.11Š| ||
| 8 | D | 39.9 | Very low | 45.8 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | -81.3 | 101.6 | 167.3 | -82.9 | -42.7 | 0 | 0 | 0 | 107.8 | R6 A10 | R6-D8 IonicContact CZ-OD2 3.3Å; R6-D8 VanDerWaalsContact CZ-OD2 3.3Å; R6-D8 IonicContact NE-OD2 2.72Å; R6-D8 PolarHBondContact NE-OD2 3.14Å; R6-D8 IonicContact NH2-OD2 2.99Å; R6-D8 PolarHBondContact NH2-OD2 3.14Å; D8-A10 PolarHBondContact O-N 3.32Å | ||
| 9 | S | 44.4 | Very low | 46.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -91 | 83.6 | 167 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | S7 I11 | S7-S9 PolarHBondContact O-N 3.11Å; S9-I11 PolarHBondContact O-N 3.22Å | ||
| 10 | A | 41.4 | Very low | 48 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -74.8 | 104.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | D8 A12 | D8-A10 PolarHBondContact O-N 3.32Å; A10-A12 PolarHBondContact O-N 3.27Å | ||
| 11 | I | 46.3 | Very low | 48.1 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | -69.8 | 100.1 | 168.9 | -59 | 171.9 | 0 | 0 | 0 | 106.5 | S9 M13 | S9-I11 PolarHBondContact O-N 3.22Å; I11-M13 PolarHBondContact O-N 3.39Å | ||
| 12 | A | 37.9 | Very low | 48.3 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -69.8 | 113.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | A10 E14 | A10-A12 PolarHBondContact O-N 3.27Å; A12-E14 PolarHBondContact O-N 3.49Å | ||
| 13 | M | 46.5 | Very low | 47.9 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 89% | 0.892 | 71% | 0.71 | S | S | * | * | trans | -79.3 | 109.2 | 168.2 | -73.1 | 174.6 | 164.7 | 0 | 0 | 107.8 | I11 | I11-M13 PolarHBondContact O-N 3.39Š| ||
| 14 | E | 45 | Very low | 48.6 | Very low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.2 | 174.1 | -65 | -100.7 | 99.1 | 0 | 0 | 110.2 | A12 | A12-E14 PolarHBondContact O-N 3.49Š|
| 15 | P | 52 | Low | 48.4 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 53% | 0.532 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 132.9 | 175.6 | 27.8 | -32 | 0 | 0 | 0 | 110.8 | V17 M23 | P15-V17 WeakPolarHBondContact O-CG2 3.38Å; P15-V17 PolarHBondContact O-N 3.06Å; P15-M23 HydrophobicContact CB-CE 4.24Å; P15-M23 HydrophobicContact CG-CE 4.24Å |
| 16 | A | 49.7 | Very low | 48.5 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 53% | 0.529 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 121.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V24 | A16-V24 PolarHBondContact O-N 3.25Å; A16-V24 VanDerWaalsContact O-N 3.11Å |
| 17 | V | 58.3 | Low | 49 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | B | Isolated β-bridge | trans | -112.4 | 133.5 | 178.1 | -163.1 | 0 | 0 | 0 | 0 | 107.9 | P15 G21 | P15-V17 WeakPolarHBondContact O-CG2 3.38Å; P15-V17 PolarHBondContact O-N 3.06Å; V17-G21 VanDerWaalsContact CG1-C 3.43Å |
| 18 | D | 61 | Low | 48.8 | Very low | 59 Ų | 59 | 120.4 Ų | 120.4 | 32% | 0.316 | 67% | 0.672 | S | S | . | * | trans | -72.9 | 171.3 | 173.4 | 62.4 | 30.8 | 0 | 0 | 0 | 111.8 | S20 G21 H22 V24 | D18-S20 PolarHBondContact O-N 3.16Å; D18-S20 VanDerWaalsContact OD1-C 3.23Å; D18-S20 VanDerWaalsContact OD1-CA 3.27Å; D18-S20 WeakPolarHBondContact OD1-CA 2.99Å; D18-S20 WeakPolarHBondContact OD1-CB 3.23Å; D18-S20 PolarHBondContact OD1-N 3.35Å; D18-S20 PolarHBondContact OD1-OG 2.95Å; D18-S20 PolarHBondContact OD2-OG 3.48Å; D18-G21 PolarHBondContact O-N 2.99Å; D18-G21 PolarHBondContact OD1-N 3.28Å; D18-H22 PolarHBondContact N-O 2.98Å; D18-H22 VanDerWaalsContact N-O 3.15Å; D18-H22 PolarHBondContact OD1-N 2.88Å; D18-H22 WeakPolarHBondContact OD2-CB 2.81Å; D18-V24 HydrophobicContact CB-CG2 3.65Å | ||
| 19 | H | 67.7 | Low | 48.7 | Very low | 210 Ų | 210 | 123.9 Ų | 123.9 | 97% | 0.972 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -5.4 | 179 | -60.4 | 0.9 | 0 | 0 | 0 | 113.5 | ||
| 20 | S | 67.1 | Low | 48.2 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 7 | 175.9 | 32.2 | 0 | 0 | 0 | 0 | 113.4 | D18 H22 | D18-S20 PolarHBondContact O-N 3.16Å; D18-S20 VanDerWaalsContact OD1-C 3.23Å; D18-S20 VanDerWaalsContact OD1-CA 3.27Å; D18-S20 WeakPolarHBondContact OD1-CA 2.99Å; D18-S20 WeakPolarHBondContact OD1-CB 3.23Å; D18-S20 PolarHBondContact OD1-N 3.35Å; D18-S20 PolarHBondContact OD1-OG 2.95Å; D18-S20 PolarHBondContact OD2-OG 3.48Å; S20-H22 VanDerWaalsContact C-N 3.26Å; S20-H22 PolarHBondContact O-N 3.28Å |
| 21 | G | 50.9 | Low | 48 | Very low | 58 Ų | 58 | 130.3 Ų | 130.3 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 76.4 | 9.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V17 D18 | V17-G21 VanDerWaalsContact CG1-C 3.43Å; D18-G21 PolarHBondContact O-N 2.99Å; D18-G21 PolarHBondContact OD1-N 3.28Å |
| 22 | H | 46.5 | Very low | 47.3 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -88.1 | 136.1 | 177.1 | -81.9 | -71.1 | 0 | 0 | 0 | 111.2 | D18 S20 V24 | D18-H22 PolarHBondContact N-O 2.98Å; D18-H22 VanDerWaalsContact N-O 3.15Å; D18-H22 PolarHBondContact OD1-N 2.88Å; D18-H22 WeakPolarHBondContact OD2-CB 2.81Å; S20-H22 VanDerWaalsContact C-N 3.26Å; S20-H22 PolarHBondContact O-N 3.28Å; H22-V24 PolarHBondContact O-N 3.33Å; H22-V24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | M | 41.4 | Very low | 47 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | B | Isolated β-bridge | trans | -63.9 | 112.8 | 172.3 | -72.7 | -165 | 138.6 | 0 | 0 | 109.5 | P15 | P15-M23 HydrophobicContact CB-CE 4.24Å; P15-M23 HydrophobicContact CG-CE 4.24Å |
| 24 | V | 52.8 | Low | 46.6 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 41% | 0.406 | 70% | 0.696 | S | S | . | * | trans | -88.9 | 120.7 | 178.5 | -169 | 0 | 0 | 0 | 0 | 108 | A16 D18 H22 P26 | A16-V24 PolarHBondContact O-N 3.25Å; A16-V24 VanDerWaalsContact O-N 3.11Å; D18-V24 HydrophobicContact CB-CG2 3.65Å; H22-V24 PolarHBondContact O-N 3.33Å; H22-V24 VanDerWaalsContact O-N 3.15Å; V24-P26 VanDerWaalsContact O-CD 3.28Å; V24-P26 WeakPolarHBondContact O-CD 3.49Å | ||
| 25 | N | 44.5 | Very low | 46.3 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | trans | -64.5 | 116.1 | 174.4 | -178.7 | -10.9 | 0 | 0 | 0 | 109.4 | F27 R28 | N25-F27 PolarHBondContact O-N 2.96Å; N25-F27 PolarHBondContact OD1-N 3.19Å; N25-R28 PolarHBondContact O-N 3.49Å | ||
| 26 | P | 46 | Very low | 45.8 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 4.8 | -172 | 29.2 | -34.1 | 0 | 0 | 0 | 114.4 | V24 | V24-P26 VanDerWaalsContact O-CD 3.28Å; V24-P26 WeakPolarHBondContact O-CD 3.49Å |
| 27 | F | 46.6 | Very low | 45.4 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 77% | 0.772 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 10.5 | -179.3 | -95.8 | -87.5 | 0 | 0 | 0 | 115 | N25 E29 | N25-F27 PolarHBondContact O-N 2.96Å; N25-F27 PolarHBondContact OD1-N 3.19Å; F27-E29 PolarHBondContact O-N 3.26Å |
| 28 | R | 39.8 | Very low | 44.5 | Very low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 39.9 | -173.4 | -150.3 | -169.4 | -179.9 | 178.8 | -0.6 | 114.5 | N25 | N25-R28 PolarHBondContact O-N 3.49Š|
| 29 | E | 36.5 | Very low | 43.6 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150 | 31.1 | 172.9 | -83.7 | -139.1 | 116.2 | 0 | 0 | 115.3 | F27 | F27-E29 PolarHBondContact O-N 3.26Š|
| 30 | Q | 34.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | -137.3 | 77.8 | 170.8 | -75.3 | -179.8 | -30.4 | 0 | 0 | 111.8 | ||||
| 31 | L | 35.9 | Very low | 41.2 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -148.2 | 86.5 | 156.3 | -146 | 82.9 | 0 | 0 | 0 | 111.4 | ||||
| 32 | P | 33.5 | Very low | 40.8 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | trans | -83.3 | 131.6 | 156.8 | 28 | -18.2 | 0 | 0 | 0 | 109.4 | ||||
| 33 | M | 31.4 | Very low | 40.5 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | 63.2 | 96.4 | 142.8 | -61.6 | -74.3 | -71.3 | 0 | 0 | 117.9 | ||||
| 34 | L | 37.3 | Very low | 40.7 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | -160.5 | 76.4 | 138.8 | -78.6 | -167.9 | 0 | 0 | 0 | 109.6 | ||||
| 35 | L | 39.2 | Very low | 40.2 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 125.1 | 159.7 | -135.1 | 81.7 | 0 | 0 | 0 | 107.2 | Q37 | L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 HydrophobicContact CD2-CG 4.36Å; L35-Q37 PolarHBondContact O-N 3.47Å | ||
| 36 | P | 41.2 | Very low | 40.1 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 90.7 | 163.4 | 29.4 | -25.9 | 0 | 0 | 0 | 106.7 | A38 | P36-A38 PolarHBondContact O-N 3.22Š| ||
| 37 | Q | 40.4 | Very low | 40.3 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 125.8 | 168.3 | -76.7 | -178.4 | 19.2 | 0 | 0 | 108.3 | L35 | L35-Q37 VanDerWaalsContact C-N 3.28Å; L35-Q37 HydrophobicContact CD2-CG 4.36Å; L35-Q37 PolarHBondContact O-N 3.47Å | ||
| 38 | A | 40.7 | Very low | 39.9 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -49.9 | 136.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P36 H40 | P36-A38 PolarHBondContact O-N 3.22Å; A38-H40 PolarHBondContact O-N 3.02Å | ||
| 39 | A | 42.4 | Very low | 40 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | -57.7 | 104.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F41 | A39-F41 HydrophobicContact CB-CD2 3.83Å; A39-F41 HydrophobicContact CB-CE2 3.9Å; A39-F41 PolarHBondContact O-N 2.79Å | ||
| 40 | H | 40.6 | Very low | 40 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -76.9 | 90.8 | 154.7 | -90 | -100.9 | 0 | 0 | 0 | 108.2 | A38 L42 | A38-H40 PolarHBondContact O-N 3.02Å; H40-L42 PolarHBondContact O-N 3.31Å; H40-L42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | F | 43.9 | Very low | 40.4 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 91.7 | 160.4 | -84.8 | -85.6 | 0 | 0 | 0 | 108.3 | A39 G43 | A39-F41 HydrophobicContact CB-CD2 3.83Å; A39-F41 HydrophobicContact CB-CE2 3.9Å; A39-F41 PolarHBondContact O-N 2.79Å; F41-G43 VanDerWaalsContact C-N 3.33Å; F41-G43 PolarHBondContact O-N 3.4Å; F41-G43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | L | 41.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 87.6 | 162.9 | -71.8 | 172.1 | 0 | 0 | 0 | 108.3 | H40 H44 | H40-L42 PolarHBondContact O-N 3.31Å; H40-L42 VanDerWaalsContact O-N 3.16Å; L42-H44 PolarHBondContact O-N 3.33Å | ||
| 43 | G | 39.8 | Very low | 40.8 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -80.4 | 107.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F41 R45 | F41-G43 VanDerWaalsContact C-N 3.33Å; F41-G43 PolarHBondContact O-N 3.4Å; F41-G43 VanDerWaalsContact O-N 3.17Å; G43-R45 PolarHBondContact O-N 3.17Å | ||
| 44 | H | 45.2 | Very low | 41.6 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 105.9 | 167.6 | -84.7 | -87.6 | 0 | 0 | 0 | 110.2 | L42 | L42-H44 PolarHBondContact O-N 3.33Š| ||
| 45 | R | 43.8 | Very low | 42 | Very low | 234 Ų | 234 | 132.1 Ų | 132.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -128.8 | 124.6 | 144.2 | -77.5 | -173.3 | -179.5 | -164 | 0.2 | 104.4 | G43 | G43-R45 PolarHBondContact O-N 3.17Š| ||
| 46 | G | 41.2 | Very low | 42.2 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | cis | 114.5 | 14.8 | 38.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | D | 50.5 | Low | 42.6 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -172.3 | 100 | -177.9 | 25.1 | -5 | 0 | 0 | 0 | 109.8 | S49 | D47-S49 PolarHBondContact O-N 2.68Š| ||
| 48 | G | 38.1 | Very low | 42.8 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 111 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 49 | S | 42.2 | Very low | 42.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 161.7 | 133.9 | 165.6 | -94 | 0 | 0 | 0 | 0 | 106.2 | D47 | D47-S49 PolarHBondContact O-N 2.68Š| ||
| 50 | L | 36.3 | Very low | 43.1 | Very low | 137 Ų | 137 | 138 Ų | 138 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | cis | 179 | 147.4 | 42.1 | -118.1 | 171.8 | 0 | 0 | 0 | 107 | ||||
| 51 | I | 44.5 | Very low | 43 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 41 | 119.3 | 145.8 | 43.2 | 174.9 | 0 | 0 | 0 | 120.9 | ||||
| 52 | A | 34.4 | Very low | 42.9 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -71 | 124.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 53 | A | 42.8 | Very low | 42.8 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -141 | 131.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 54 | P | 47.2 | Very low | 43 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.4 | 178.3 | 30.5 | -30.6 | 0 | 0 | 0 | 110.5 | ||
| 55 | I | 45.7 | Very low | 42.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 125 | 176.1 | -57 | 173.6 | 0 | 0 | 0 | 109.1 | ||
| 56 | P | 44.2 | Very low | 42.2 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.4 | 175.1 | 32 | -30.7 | 0 | 0 | 0 | 111.9 | R58 | P56-R58 PolarHBondContact O-N 2.87Š|
| 57 | I | 50 | Low | 41.8 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 119.1 | 172.2 | -56.5 | 173.6 | 0 | 0 | 0 | 108.6 | ||
| 58 | R | 43.4 | Very low | 41.4 | Very low | 218 Ų | 218 | 130 Ų | 130 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 125.6 | -179.3 | -164.5 | -179.1 | -175.5 | -141.1 | 2.8 | 109.7 | P56 | P56-R58 PolarHBondContact O-N 2.87Š|
| 59 | P | 42.1 | Very low | 41.3 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 125 | 165.9 | 32.2 | -25.4 | 0 | 0 | 0 | 109.2 | ||
| 60 | S | 47.7 | Very low | 41 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -95.8 | 113.4 | 174.3 | -42.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 61 | G | 38.9 | Very low | 41 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -77.9 | 158.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 62 | H | 41.6 | Very low | 40.7 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 125.8 | 136.4 | -88.9 | -56.2 | 0 | 0 | 0 | 109.2 | ||||
| 63 | A | 39.2 | Very low | 41 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | -65.8 | 151 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 64 | Q | 43.4 | Very low | 40.4 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | -163.7 | 116.9 | 124.5 | -102.2 | 158.6 | 88.2 | 0 | 0 | 110.5 | |||||
| 65 | T | 34.4 | Very low | 40.2 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -65.8 | 134.7 | 169.7 | 40.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 66 | A | 37.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -162.8 | 102.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 67 | A | 33.4 | Very low | 39.4 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -75.8 | 129.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 68 | L | 41.6 | Very low | 38.7 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -143.1 | 105.6 | 150.3 | -77.4 | -177.5 | 0 | 0 | 0 | 108.8 | ||||
| 69 | L | 35.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -57.1 | 126 | 158 | -65.6 | 159.6 | 0 | 0 | 0 | 108 | ||||
| 70 | Y | 36.5 | Very low | 38.4 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -152.9 | 102.8 | 151.8 | -122.8 | -88.5 | 0 | 0 | 0 | 110.5 | ||||
| 71 | S | 36.2 | Very low | 37.9 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -49.2 | 142.7 | 153.5 | 47.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 72 | G | 38.6 | Very low | 37.8 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 154.2 | 102.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 73 | Q | 39.9 | Very low | 38 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | 73.5 | 109 | 139.8 | -69.2 | 159.8 | 46.3 | 0 | 0 | 119.6 | ||||
| 74 | S | 31.7 | Very low | 38 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 148.6 | 152.7 | 42.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 75 | P | 43.2 | Very low | 37.7 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -112 | 126.1 | 151.4 | -2.8 | 23.2 | 0 | 0 | 0 | 112 | ||||
| 76 | S | 33.8 | Very low | 38.1 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | -59.7 | 129.9 | 165 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 77 | W | 38.6 | Very low | 38.4 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | trans | -130.8 | 86.1 | 148.5 | -73.2 | 101.9 | 0 | 0 | 0 | 108.7 | ||||
| 78 | L | 36.1 | Very low | 38.5 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -55.7 | 133 | 154.9 | -79.3 | 148.8 | 0 | 0 | 0 | 109.8 | ||||
| 79 | Q | 40.3 | Very low | 38.8 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | 160.8 | 121.8 | 109.1 | -154 | 81.4 | -26.5 | 0 | 0 | 110.2 | |||||
| 80 | L | 37.4 | Very low | 39 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | -73.8 | -179.5 | 179.3 | -69.5 | 83.9 | 0 | 0 | 0 | 113.4 | Q82 | L80-Q82 HydrophobicContact CD2-CG 3.64Š| ||
| 81 | P | 38 | Very low | 39.1 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | -141.8 | 124.3 | 82.7 | 25.7 | -4 | 0 | 0 | 0 | 114.2 | |||||
| 82 | Q | 37.5 | Very low | 39.4 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | 48 | 90.5 | 87.4 | -83.3 | -87.5 | -31.8 | 0 | 0 | 116.7 | L80 | L80-Q82 HydrophobicContact CD2-CG 3.64Š| |||
| 83 | I | 45.8 | Very low | 39.4 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -158 | 127.4 | 158.7 | -54.1 | -177 | 0 | 0 | 0 | 105.8 | ||||
| 84 | Y | 38.1 | Very low | 39.5 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | cis | -157.6 | 131 | -3.2 | -145.6 | -108 | 0 | 0 | 0 | 105.2 | ||||
| 85 | H | 37.3 | Very low | 40.4 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -93.9 | 131.5 | 168.5 | -136.3 | -88.4 | 0 | 0 | 0 | 106.4 | ||||
| 86 | N | 43.4 | Very low | 40.7 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -121.9 | 127.1 | 168.5 | -116.2 | -2.9 | 0 | 0 | 0 | 111.4 | ||||
| 87 | S | 43 | Very low | 41.5 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | trans | -84.2 | 148.1 | -153.4 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 88 | L | 35.8 | Very low | 41.6 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -67.1 | 131.3 | 158.4 | -70.6 | 159.2 | 0 | 0 | 0 | 109.7 | ||||
| 89 | H | 47.5 | Very low | 41.9 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -134.5 | 117.3 | 161.1 | -85.8 | -85.7 | 0 | 0 | 0 | 111.2 | ||||
| 90 | A | 40.9 | Very low | 42.1 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 54.2 | 124.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 91 | V | 38.6 | Very low | 41.9 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 162.2 | 164.9 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 92 | P | 42.2 | Very low | 41.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -145.3 | 165.4 | 96.7 | 33.8 | -14.1 | 0 | 0 | 0 | 116.6 | |||||
| 93 | T | 38 | Very low | 41.7 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -69.2 | 151.9 | -172.6 | -22.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 94 | A | 42 | Very low | 41 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 141 | 134.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | S | 51.5 | Low | 40.9 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | cis | -160.8 | 165.5 | 5.8 | -84.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 96 | P | 49.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -98 | 157.3 | -169.2 | 37.1 | -31.5 | 0 | 0 | 0 | 113.7 | ||||
| 97 | L | 49.6 | Very low | 40.2 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -178.6 | 162.8 | 162 | -104.2 | 163.3 | 0 | 0 | 0 | 111.2 | ||||
| 98 | P | 41.4 | Very low | 39.6 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | -112 | 164.4 | -90.7 | 36.5 | -21.3 | 0 | 0 | 0 | 114.7 | |||||
| 99 | Q | 42.4 | Very low | 39.6 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 145.5 | 172.8 | -63.7 | -176.5 | -30 | 0 | 0 | 112.3 | ||
| 100 | P | 44.1 | Very low | 38.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 133.4 | 155.4 | 32.8 | -23.6 | 0 | 0 | 0 | 111.7 | ||
| 101 | A | 33.6 | Very low | 38.5 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 144.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 102 | G | 36.5 | Very low | 38 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 157.2 | 99.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 103 | S | 34 | Very low | 37.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 41.4 | 104.8 | 153.1 | 63.1 | 0 | 0 | 0 | 0 | 119.3 | S105 | S103-S105 PolarHBondContact O-N 2.51Å; S103-S105 VanDerWaalsContact O-N 3.11Å | ||
| 104 | A | 31.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 102.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 105 | S | 35.6 | Very low | 36.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -88.4 | 116.9 | 156.5 | -98.5 | 0 | 0 | 0 | 0 | 108.9 | S103 L107 | S103-S105 PolarHBondContact O-N 2.51Å; S103-S105 VanDerWaalsContact O-N 3.11Å; S105-L107 PolarHBondContact O-N 3.21Å | ||
| 106 | M | 32.1 | Very low | 35.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -57.7 | 93.7 | 172.1 | -96.5 | -93.5 | -81.5 | 0 | 0 | 110.7 | Y108 | M106-Y108 HydrophobicContact CE-CD2 4.44Å; M106-Y108 HydrophobicContact CE-CE2 3.78Å; M106-Y108 PolarHBondContact O-N 3.49Å | ||
| 107 | L | 35 | Very low | 34.6 | Very low | 140 Ų | 140 | 139 Ų | 139 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 101.5 | 163.6 | -69.9 | 179.3 | 0 | 0 | 0 | 108.5 | S105 F109 | S105-L107 PolarHBondContact O-N 3.21Å; L107-F109 PolarHBondContact O-N 3.24Å | ||
| 108 | Y | 30.5 | Very low | 33.9 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -59.8 | 99.9 | 164.4 | -87.4 | -96.2 | 0 | 0 | 0 | 109 | M106 Y110 | M106-Y108 HydrophobicContact CE-CD2 4.44Å; M106-Y108 HydrophobicContact CE-CE2 3.78Å; M106-Y108 PolarHBondContact O-N 3.49Å; Y108-Y110 PolarHBondContact O-N 3.17Å | ||
| 109 | F | 34.8 | Very low | 33.8 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -68.8 | 97.8 | 165.3 | -77.3 | -84.6 | 0 | 0 | 0 | 108.7 | L107 S111 | L107-F109 PolarHBondContact O-N 3.24Å; F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 3.19Å | ||
| 110 | Y | 31.5 | Very low | 33.4 | Very low | 221 Ų | 221 | 133.2 Ų | 133.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -62.7 | 90.9 | 159.2 | -104.8 | -94.8 | 0 | 0 | 0 | 108 | Y108 K112 | Y108-Y110 PolarHBondContact O-N 3.17Å; Y110-K112 PolarHBondContact O-N 3.25Å | ||
| 111 | S | 33.4 | Very low | 33.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -64.8 | 115.1 | 167.4 | -61.8 | 0 | 0 | 0 | 0 | 108.7 | F109 | F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 3.19Å | ||
| 112 | K | 28.5 | Very low | 33.3 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 144.2 | 176.4 | -63.5 | 177.5 | 178.5 | -178.9 | 0 | 111.2 | Y110 V114 | Y110-K112 PolarHBondContact O-N 3.25Å; K112-V114 PolarHBondContact O-N 3.32Å |
| 113 | P | 33.1 | Very low | 33.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.5 | -179.1 | 26.4 | -32.1 | 0 | 0 | 0 | 110.6 | A115 | P113-A115 PolarHBondContact O-N 3.15Š|
| 114 | V | 33.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 66% | 0.655 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.4 | 172.4 | 169.7 | 0 | 0 | 0 | 0 | 109.1 | K112 W116 | K112-V114 PolarHBondContact O-N 3.32Å; V114-W116 PolarHBondContact O-N 2.98Å |
| 115 | A | 27.8 | Very low | 33.5 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P113 N117 | P113-A115 PolarHBondContact O-N 3.15Å; A115-N117 PolarHBondContact O-N 2.76Å; A115-N117 VanDerWaalsContact O-N 3.14Å |
| 116 | W | 26.1 | Very low | 33.5 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -72.8 | 103 | 176.8 | -83 | 61.8 | 0 | 0 | 0 | 109.5 | V114 Y253 | V114-W116 PolarHBondContact O-N 2.98Å; W116-Y253 AromaticContact CH2-CZ 3.97Å; W116-Y253 WeakPolarHBondContact CH2-OH 3.47Å; W116-Y253 HydrophobicContact CZ3-CE1 4.43Å; W116-Y253 HydrophobicContact CZ3-CE2 4.43Å; W116-Y253 AromaticContact CZ3-CZ 3.93Å | ||
| 117 | N | 32 | Very low | 33.5 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 54% | 0.54 | 69% | 0.693 | S | S | . | * | trans | -113 | 145.2 | 156.6 | 61.2 | 13.8 | 0 | 0 | 0 | 108.7 | A115 T119 | A115-N117 PolarHBondContact O-N 2.76Å; A115-N117 VanDerWaalsContact O-N 3.14Å; N117-T119 PolarHBondContact O-N 3.04Å; N117-T119 PolarHBondContact OD1-OG1 2.85Å | ||
| 118 | E | 34.6 | Very low | 33.4 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 38.7 | -163.9 | -60.7 | -161.4 | 125.7 | 0 | 0 | 114.7 | R246 | E118-R246 IonicContact OE2-CZ 3.56Å; E118-R246 IonicContact OE2-NE 3.48Å; E118-R246 PolarHBondContact OE2-NE 3.43Å; E118-R246 IonicContact OE2-NH1 3.2Å; E118-R246 PolarHBondContact OE2-NH1 2.64Å; E118-R246 IonicContact OE2-NH2 2.63Å; E118-R246 PolarHBondContact OE2-NH2 3.33Å |
| 119 | T | 40.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 5.7 | -178.6 | 47.7 | 0 | 0 | 0 | 0 | 114 | N117 L121 | N117-T119 PolarHBondContact O-N 3.04Å; N117-T119 PolarHBondContact OD1-OG1 2.85Å; T119-L121 PolarHBondContact O-N 3.06Å |
| 120 | N | 32.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | trans | -76.4 | 64.2 | 174.1 | -71.8 | -45.9 | 0 | 0 | 0 | 111.7 | ||||
| 121 | L | 41.4 | Very low | 34 | Very low | 137 Ų | 137 | 123 Ų | 123 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -51.5 | 139.6 | 148.8 | -78.9 | 150.3 | 0 | 0 | 0 | 107 | T119 T123 | T119-L121 PolarHBondContact O-N 3.06Å; L121-T123 PolarHBondContact O-N 3.41Å; L121-T123 PolarHBondContact O-OG1 2.94Å | ||
| 122 | C | 35 | Very low | 34.3 | Very low | 40 Ų | 40 | 126.5 Ų | 126.5 | 27% | 0.27 | 70% | 0.699 | S | S | . | * | trans | -70.4 | 74 | 172 | -161.4 | 0 | 0 | 0 | 0 | 108.1 | S124 K218 | C122-S124 PolarHBondContact O-N 3.18Å; C122-K218 PolarHBondContact SG-NZ 3.08Å | ||
| 123 | T | 35.4 | Very low | 34.5 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | -73.4 | 68.6 | 168.1 | 22.5 | 0 | 0 | 0 | 0 | 108.1 | L121 L125 | L121-T123 PolarHBondContact O-N 3.41Å; L121-T123 PolarHBondContact O-OG1 2.94Å; T123-L125 PolarHBondContact O-N 3.37Å; T123-L125 VanDerWaalsContact O-N 3.13Å | ||
| 124 | S | 36.3 | Very low | 34.5 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | trans | -67.9 | 98.8 | 146.5 | 37.4 | 0 | 0 | 0 | 0 | 105.6 | C122 V126 | C122-S124 PolarHBondContact O-N 3.18Å; S124-V126 WeakPolarHBondContact O-CG2 3.2Å; S124-V126 PolarHBondContact O-N 3.2Å | ||
| 125 | L | 34 | Very low | 34.6 | Very low | 142 Ų | 142 | 123.2 Ų | 123.2 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | -59.5 | 89.5 | 169.6 | -155.7 | 83.6 | 0 | 0 | 0 | 107.2 | T123 H127 | T123-L125 PolarHBondContact O-N 3.37Å; T123-L125 VanDerWaalsContact O-N 3.13Å; L125-H127 PolarHBondContact O-N 3.48Å | ||
| 126 | V | 36.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | -77.2 | 101.6 | 168.7 | -141.7 | 0 | 0 | 0 | 0 | 104.9 | S124 S128 | S124-V126 WeakPolarHBondContact O-CG2 3.2Å; S124-V126 PolarHBondContact O-N 3.2Å; V126-S128 PolarHBondContact O-N 3.47Å | ||
| 127 | H | 31.9 | Very low | 35.4 | Very low | 159 Ų | 159 | 120.1 Ų | 120.1 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -63.4 | 92.2 | 160.8 | -90.8 | 102.9 | 0 | 0 | 0 | 106.7 | L125 Q129 | L125-H127 PolarHBondContact O-N 3.48Å; H127-Q129 PolarHBondContact O-N 3.16Å | ||
| 128 | S | 33.1 | Very low | 35.3 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -80.4 | 91.7 | 166.3 | -161.6 | 0 | 0 | 0 | 0 | 106.8 | V126 D130 | V126-S128 PolarHBondContact O-N 3.47Å; S128-D130 PolarHBondContact O-N 3.18Å | ||
| 129 | Q | 34.7 | Very low | 35.1 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -68.5 | 86.6 | 159.6 | -66.2 | -178.2 | 4 | 0 | 0 | 106 | H127 | H127-Q129 PolarHBondContact O-N 3.16Š| ||
| 130 | D | 40.9 | Very low | 34.7 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 175.6 | 95.6 | 157.6 | -84.3 | -33.1 | 0 | 0 | 0 | 107.4 | S128 K132 | S128-D130 PolarHBondContact O-N 3.18Å; D130-K132 PolarHBondContact O-N 3.01Å | ||
| 131 | G | 32.5 | Very low | 34.4 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 96% | 0.959 | 73% | 0.734 | S | S | * | * | trans | -71.5 | 70.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | K | 39.9 | Very low | 34 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | trans | -107.4 | 104.1 | 170.8 | -158.3 | 168.5 | -174.2 | 178.7 | 0 | 110.1 | D130 I134 | D130-K132 PolarHBondContact O-N 3.01Å; K132-I134 PolarHBondContact O-N 3.03Å | ||
| 133 | A | 33.1 | Very low | 33.8 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 115.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S135 | A133-S135 PolarHBondContact O-N 2.9Š| ||
| 134 | I | 34 | Very low | 33.8 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -90.9 | 101.4 | 165.2 | -50 | 176.5 | 0 | 0 | 0 | 105.5 | K132 | K132-I134 PolarHBondContact O-N 3.03Š| ||
| 135 | S | 34.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -58.2 | 138.7 | 169 | 38.8 | 0 | 0 | 0 | 0 | 110.7 | A133 | A133-S135 PolarHBondContact O-N 2.9Š| ||
| 136 | S | 30.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -41.8 | 131.3 | 168.7 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | E138 | S136-E138 PolarHBondContact O-N 3.4Š| ||
| 137 | P | 41.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -77.2 | 108.4 | 158.6 | 29.2 | -25.5 | 0 | 0 | 0 | 107.5 | F139 | P137-F139 PolarHBondContact O-N 3.46Š| ||
| 138 | E | 28.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -56.4 | 101.8 | 159.4 | -66.2 | -157 | 129.2 | 0 | 0 | 108.2 | S136 V140 | S136-E138 PolarHBondContact O-N 3.4Å; E138-V140 PolarHBondContact O-N 3.2Å | ||
| 139 | F | 30 | Very low | 34.5 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -88.6 | 96 | 172.1 | -157.3 | -96 | 0 | 0 | 0 | 109 | P137 S141 | P137-F139 PolarHBondContact O-N 3.46Å; F139-S141 PolarHBondContact O-N 2.9Å | ||
| 140 | V | 32 | Very low | 34.8 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 60% | 0.6 | 78% | 0.781 | S | S | * | * | trans | -49.2 | 121.7 | 168.2 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | E138 R142 | E138-V140 PolarHBondContact O-N 3.2Å; V140-R142 HydrophobicContact CG1-CG 4.42Å; V140-R142 PolarHBondContact O-N 2.85Å | ||
| 141 | S | 27.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 95 | 170.4 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | F139 | F139-S141 PolarHBondContact O-N 2.9Š| ||
| 142 | R | 31.5 | Very low | 35.2 | Very low | 217 Ų | 217 | 141.7 Ų | 141.7 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | -92.2 | 103.8 | 160.6 | -79.8 | -171.1 | -171.5 | -167 | 3.1 | 108.8 | V140 V144 | V140-R142 HydrophobicContact CG1-CG 4.42Å; V140-R142 PolarHBondContact O-N 2.85Å; R142-V144 PolarHBondContact O-N 3.16Å | ||
| 143 | S | 31.7 | Very low | 35.1 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -52.6 | 119.3 | 155.8 | 33.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 144 | V | 35.2 | Very low | 35.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -110.8 | 134.9 | 168.8 | -180 | 0 | 0 | 0 | 0 | 107.5 | R142 | R142-V144 PolarHBondContact O-N 3.16Š| ||
| 145 | P | 36.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 140.6 | -165.4 | -10.4 | 26.5 | 0 | 0 | 0 | 111.8 | N147 | P145-N147 PolarHBondContact O-N 2.8Š| ||
| 146 | T | 34.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -61.5 | 102.2 | 163 | 48 | 0 | 0 | 0 | 0 | 108.8 | S148 | T146-S148 PolarHBondContact O-N 3.1Š| ||
| 147 | N | 36.2 | Very low | 37.1 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -93.2 | 100 | 168.8 | -132.4 | -5.7 | 0 | 0 | 0 | 109 | P145 F149 | P145-N147 PolarHBondContact O-N 2.8Å; N147-F149 PolarHBondContact O-N 3.45Å | ||
| 148 | S | 37.8 | Very low | 37.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -66.6 | 104.2 | 174.4 | -42.8 | 0 | 0 | 0 | 0 | 109.4 | T146 | T146-S148 PolarHBondContact O-N 3.1Š| ||
| 149 | F | 40.4 | Very low | 38.1 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -97.9 | 119 | 164.1 | -88.5 | -84.7 | 0 | 0 | 0 | 109.4 | N147 M151 | N147-F149 PolarHBondContact O-N 3.45Å; F149-M151 PolarHBondContact O-N 3.47Å | ||
| 150 | P | 42 | Very low | 39.3 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -85.2 | 103.1 | 172.7 | 32.3 | -28.4 | 0 | 0 | 0 | 109.1 | K152 | P150-K152 PolarHBondContact O-N 3.22Š| ||
| 151 | M | 37.9 | Very low | 40 | Very low | 176 Ų | 176 | 137 Ų | 137 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 96.5 | 161.5 | -76.4 | -164.9 | 137.6 | 0 | 0 | 108.9 | F149 V153 | F149-M151 PolarHBondContact O-N 3.47Å; M151-V153 PolarHBondContact O-N 3.37Å | ||
| 152 | K | 43.2 | Very low | 41.2 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -72.2 | 97.5 | 161.6 | -82.8 | 166.9 | 174.3 | 176.6 | 0 | 107.9 | P150 | P150-K152 PolarHBondContact O-N 3.22Š| ||
| 153 | V | 37.7 | Very low | 42.1 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | trans | -107.2 | 127.9 | 160 | -83.3 | 0 | 0 | 0 | 0 | 108.1 | M151 M155 | M151-V153 PolarHBondContact O-N 3.37Å; V153-M155 PolarHBondContact O-N 2.87Å; V153-M155 VanDerWaalsContact O-N 3.14Å | ||
| 154 | P | 49.4 | Very low | 43.2 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -66.6 | 115.1 | 178.2 | 25.7 | -29.4 | 0 | 0 | 0 | 108.9 | T156 | P154-T156 PolarHBondContact O-N 2.91Å; P154-T156 VanDerWaalsContact O-N 3.14Å | ||
| 155 | M | 40.6 | Very low | 44 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 93.6 | 169 | -78.1 | -103.8 | 159.4 | 0 | 0 | 108 | V153 V157 | V153-M155 PolarHBondContact O-N 2.87Å; V153-M155 VanDerWaalsContact O-N 3.14Å; M155-V157 PolarHBondContact O-N 3.15Å; M155-V157 VanDerWaalsContact O-N 3.11Å | ||
| 156 | T | 43.3 | Very low | 44.1 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -70.8 | 102 | 159.2 | -50.3 | 0 | 0 | 0 | 0 | 106.6 | P154 L158 | P154-T156 PolarHBondContact O-N 2.91Å; P154-T156 VanDerWaalsContact O-N 3.14Å; T156-L158 PolarHBondContact O-N 3.48Å | ||
| 157 | V | 40.6 | Very low | 44.9 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -70.3 | 93.7 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | M155 | M155-V157 PolarHBondContact O-N 3.15Å; M155-V157 VanDerWaalsContact O-N 3.11Å | ||
| 158 | L | 42.1 | Very low | 45.7 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -82.2 | 124.4 | 156.5 | -93.5 | 136.8 | 0 | 0 | 0 | 107.3 | T156 | T156-L158 PolarHBondContact O-N 3.48Š| ||
| 159 | P | 50.3 | Low | 46 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | trans | -63.1 | 137.3 | 176.5 | 25.8 | -32 | 0 | 0 | 0 | 109.3 | T161 | P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 2.56Å | ||
| 160 | P | 53.9 | Low | 46.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -70.3 | 92.2 | 173.6 | 28.8 | -32.3 | 0 | 0 | 0 | 109 | A162 | P160-A162 PolarHBondContact O-N 3.29Å; P160-A162 VanDerWaalsContact O-N 3.16Å | ||
| 161 | T | 47 | Very low | 47.4 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -83.6 | 72.3 | 163.7 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | P159 | P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 2.56Å | ||
| 162 | A | 52.3 | Low | 48.1 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -134.6 | 118 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | P160 | P160-A162 PolarHBondContact O-N 3.29Å; P160-A162 VanDerWaalsContact O-N 3.16Å | ||
| 163 | P | 50.9 | Low | 48.7 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 150.1 | 177.1 | 26.2 | -32.5 | 0 | 0 | 0 | 109.2 | H165 | P163-H165 PolarHBondContact O-N 2.76Š| ||
| 164 | P | 54.7 | Low | 49.5 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -55.3 | 131 | 169.8 | 26.7 | -32.4 | 0 | 0 | 0 | 106.7 | T166 | P164-T166 PolarHBondContact O-N 3.17Š| ||
| 165 | H | 51.8 | Low | 49.7 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -56.5 | 96.1 | 165.3 | -73.3 | -85.6 | 0 | 0 | 0 | 106.4 | P163 F167 | P163-H165 PolarHBondContact O-N 2.76Å; H165-F167 VanDerWaalsContact C-N 3.27Å; H165-F167 PolarHBondContact O-N 3.4Å | ||
| 166 | T | 39 | Very low | 50.3 | Low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | -58.8 | 102.6 | 165.3 | 42.8 | 0 | 0 | 0 | 0 | 104.1 | P164 I168 | P164-T166 PolarHBondContact O-N 3.17Å; T166-I168 PolarHBondContact O-N 3.19Å | ||
| 167 | F | 51.7 | Low | 50.6 | Low | 190 Ų | 190 | 126.9 Ų | 126.9 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | trans | -64.2 | 88.3 | 164.1 | -125.4 | -90.9 | 0 | 0 | 0 | 104.7 | H165 S169 | H165-F167 VanDerWaalsContact C-N 3.27Å; H165-F167 PolarHBondContact O-N 3.4Å; F167-S169 PolarHBondContact O-N 3.34Å | ||
| 168 | I | 53 | Low | 51.2 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 64% | 0.641 | 72% | 0.715 | S | S | * | * | trans | -64.9 | 98.3 | 164.3 | -57.7 | -178 | 0 | 0 | 0 | 103.1 | T166 I170 | T166-I168 PolarHBondContact O-N 3.19Å; I168-I170 HydrophobicContact CB-CG1 4.23Å; I168-I170 HydrophobicContact CG2-CD1 4.43Å; I168-I170 HydrophobicContact CG2-CG1 3.47Å; I168-I170 VanDerWaalsContact CG2-CG1 3.47Å; I168-I170 PolarHBondContact O-N 2.7Å | ||
| 169 | S | 45.1 | Very low | 51.7 | Low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -60.8 | 81.6 | 156.4 | -78.1 | 0 | 0 | 0 | 0 | 105.8 | F167 A171 | F167-S169 PolarHBondContact O-N 3.34Å; S169-A171 PolarHBondContact O-N 3.19Å | ||
| 170 | I | 55.7 | Low | 52.4 | Low | 126 Ų | 126 | 132 Ų | 132 | 65% | 0.646 | 71% | 0.707 | S | S | * | * | trans | -66.7 | 91 | 160.1 | -51.5 | 175.8 | 0 | 0 | 0 | 103.1 | I168 T172 | I168-I170 HydrophobicContact CB-CG1 4.23Å; I168-I170 HydrophobicContact CG2-CD1 4.43Å; I168-I170 HydrophobicContact CG2-CG1 3.47Å; I168-I170 VanDerWaalsContact CG2-CG1 3.47Å; I168-I170 PolarHBondContact O-N 2.7Å; I170-T172 HydrophobicContact CB-CG2 4.43Å; I170-T172 HydrophobicContact CG2-CG2 3.51Å; I170-T172 PolarHBondContact O-N 3.44Å | ||
| 171 | A | 55.3 | Low | 53.3 | Low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | -63.5 | 75.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | S169 K173 | S169-A171 PolarHBondContact O-N 3.19Å; A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.49Å | ||
| 172 | T | 53.5 | Low | 54.8 | Low | 67 Ų | 67 | 128.2 Ų | 128.2 | 41% | 0.411 | 66% | 0.662 | S | S | . | * | trans | -61.8 | 103.8 | 161.5 | 46.9 | 0 | 0 | 0 | 0 | 103.6 | I170 R174 | I170-T172 HydrophobicContact CB-CG2 4.43Å; I170-T172 HydrophobicContact CG2-CG2 3.51Å; I170-T172 PolarHBondContact O-N 3.44Å; T172-R174 PolarHBondContact O-N 3.41Å; T172-R174 WeakPolarHBondContact OG1-CG 3.25Å | ||
| 173 | K | 54.3 | Low | 56.1 | Low | 209 Ų | 209 | 124.6 Ų | 124.6 | 91% | 0.909 | 63% | 0.632 | S | S | * | * | trans | -58.9 | 79.1 | 153.2 | -68.3 | -178.7 | -179.5 | 178.5 | 0 | 104.5 | A171 D175 | A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.49Å; K173-D175 PolarHBondContact O-N 2.96Å; K173-D175 VanDerWaalsContact O-N 3.11Å | ||
| 174 | R | 54.5 | Low | 57.3 | Low | 180 Ų | 180 | 122.5 Ų | 122.5 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | trans | -65 | 116.9 | 176.3 | -72.4 | -168.5 | -176.6 | 98 | 1.2 | 104.3 | T172 M176 | T172-R174 PolarHBondContact O-N 3.41Å; T172-R174 WeakPolarHBondContact OG1-CG 3.25Å; R174-M176 WeakPolarHBondContact O-CG 2.93Å; R174-M176 PolarHBondContact O-N 3.21Å | ||
| 175 | D | 54 | Low | 58.2 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | trans | -45.3 | 107.7 | 161.2 | -169 | 70.8 | 0 | 0 | 0 | 107.4 | K173 S177 | K173-D175 PolarHBondContact O-N 2.96Å; K173-D175 VanDerWaalsContact O-N 3.11Å; D175-S177 PolarHBondContact O-N 3.3Å; D175-S177 WeakPolarHBondContact OD2-CB 3.22Å; D175-S177 PolarHBondContact OD2-OG 2.9Å | ||
| 176 | M | 53.1 | Low | 59.5 | Low | 140 Ų | 140 | 118 Ų | 118 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 33.6 | -168 | -74.7 | -96 | 74.5 | 0 | 0 | 112.5 | R174 | R174-M176 WeakPolarHBondContact O-CG 2.93Å; R174-M176 PolarHBondContact O-N 3.21Å |
| 177 | S | 50.1 | Low | 61.3 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -7.5 | -179.5 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | D175 R179 | D175-S177 PolarHBondContact O-N 3.3Å; D175-S177 WeakPolarHBondContact OD2-CB 3.22Å; D175-S177 PolarHBondContact OD2-OG 2.9Å; S177-R179 PolarHBondContact O-N 3.25Å |
| 178 | Q | 52.3 | Low | 62.7 | Low | 177 Ų | 177 | 118.5 Ų | 118.5 | 83% | 0.827 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -94.6 | 95.1 | 177.5 | -73.8 | -169.4 | -32.4 | 0 | 0 | 112.8 | ||
| 179 | R | 53.8 | Low | 64.2 | Low | 212 Ų | 212 | 119.6 Ų | 119.6 | 80% | 0.8 | 59% | 0.59 | S | S | * | * | trans | 61 | 64.5 | 154 | -145.2 | -178 | -69.9 | -167.5 | -0.3 | 115.6 | S177 F181 | S177-R179 PolarHBondContact O-N 3.25Å; R179-F181 WeakPolarHBondContact O-CE2 3.46Å | ||
| 180 | E | 64.4 | Low | 66.1 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | trans | -63.6 | 134.6 | 166.5 | -57.2 | 170.2 | 132.5 | 0 | 0 | 111.3 | R182 R189 | E180-R182 PolarHBondContact O-N 2.86Å; E180-R189 IonicContact OE1-CZ 2.8Å; E180-R189 IonicContact OE1-NE 2.98Å; E180-R189 PolarHBondContact OE1-NE 3.26Å; E180-R189 IonicContact OE1-NH1 3.29Å; E180-R189 PolarHBondContact OE1-NH1 3.45Å; E180-R189 IonicContact OE1-NH2 2.93Å; E180-R189 PolarHBondContact OE1-NH2 3.21Å; E180-R189 IonicContact OE2-CZ 2.94Å; E180-R189 IonicContact OE2-NE 2.76Å; E180-R189 PolarHBondContact OE2-NE 3.1Å; E180-R189 IonicContact OE2-NH2 2.58Å; E180-R189 PolarHBondContact OE2-NH2 2.85Å | ||
| 181 | F | 73 | Confident | 67.3 | Low | 53 Ų | 53 | 118.9 Ų | 118.9 | 23% | 0.232 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.6 | 177.9 | -64.9 | -83 | 0 | 0 | 0 | 108.9 | R179 F190 E193 L196 | R179-F181 WeakPolarHBondContact O-CE2 3.46Å; F181-F190 HydrophobicContact CB-CB 4.26Å; F181-F190 PolarHBondContact N-O 3.47Å; F181-F190 PolarHBondContact O-N 3.39Å; F181-E193 HydrophobicContact CD1-CB 3.77Å; F181-E193 HydrophobicContact CD1-CG 3.8Å; F181-E193 HydrophobicContact CD2-CB 4.33Å; F181-E193 HydrophobicContact CE1-CB 3.45Å; F181-E193 VanDerWaalsContact CE1-CB 3.45Å; F181-E193 HydrophobicContact CE1-CG 3.59Å; F181-E193 HydrophobicContact CE2-CB 4.05Å; F181-E193 HydrophobicContact CG-CB 4.19Å; F181-E193 HydrophobicContact CZ-CB 3.61Å; F181-E193 HydrophobicContact CZ-CG 4.25Å; F181-L196 HydrophobicContact CB-CB 3.82Å; F181-L196 HydrophobicContact CB-CD2 3.78Å; F181-L196 HydrophobicContact CB-CG 4.38Å; F181-L196 HydrophobicContact CD1-CD2 4.39Å |
| 182 | R | 78.7 | Confident | 68.6 | Low | 131 Ų | 131 | 117.9 Ų | 117.9 | 49% | 0.494 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 134 | 178.3 | -177.1 | -178.4 | -71.8 | -101.6 | 10.4 | 110.4 | E180 G184 K187 R188 | E180-R182 PolarHBondContact O-N 2.86Å; R182-G184 PolarHBondContact O-N 2.82Å; R182-K187 PolarHBondContact NH1-O 2.89Å; R182-R188 WeakPolarHBondContact CA-O 3.4Å |
| 183 | C | 79.4 | Confident | 70.1 | Confident | 1 Ų | 1 | 118.8 Ų | 118.8 | 1% | 0.007 | 56% | 0.556 | C | S | . | * | trans | -71.7 | 123.4 | 165.6 | 170 | 0 | 0 | 0 | 0 | 110.8 | Q185 C186 K187 R188 F190 L196 H199 M200 I204 | C183-Q185 VanDerWaalsContact C-N 3.29Å; C183-Q185 PolarHBondContact O-N 3.27Å; C183-Q185 PolarHBondContact SG-N 2.91Å; C183-Q185 VanDerWaalsContact SG-N 3.35Å; C183-C186 VanDerWaalsContact CB-SG 3.59Å; C183-C186 PolarHBondContact SG-N 2.8Å; C183-C186 PolarHBondContact SG-SG 2.73Å; C183-K187 WeakPolarHBondContact O-CA 3.16Å; C183-K187 PolarHBondContact O-N 2.72Å; C183-R188 PolarHBondContact N-O 3.35Å; C183-F190 HydrophobicContact CB-CE2 4.11Å; C183-L196 HydrophobicContact CB-CD1 3.75Å; C183-H199 PolarHBondContact SG-NE2 2.89Å; C183-M200 HydrophobicContact CB-SD 4.31Å; C183-M200 VanDerWaalsContact SG-SD 3.63Å; C183-I204 HydrophobicContact CB-CD1 4.42Å; C183-I204 WeakPolarHBondContact SG-CD1 3.37Å | ||
| 184 | G | 76.3 | Confident | 71.5 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R182 | R182-G184 PolarHBondContact O-N 2.82Š|
| 185 | Q | 73 | Confident | 72.9 | Confident | 149 Ų | 149 | 105 Ų | 105 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -50.4 | -174.5 | -64.8 | -68.2 | -1.1 | 0 | 0 | 113.3 | C183 I204 | C183-Q185 VanDerWaalsContact C-N 3.29Å; C183-Q185 PolarHBondContact O-N 3.27Å; C183-Q185 PolarHBondContact SG-N 2.91Å; C183-Q185 VanDerWaalsContact SG-N 3.35Å; Q185-I204 HydrophobicContact CB-CD1 4.06Å; Q185-I204 HydrophobicContact CB-CG1 4.26Å; Q185-I204 HydrophobicContact CB-CG2 3.94Å; Q185-I204 HydrophobicContact CG-CG2 3.61Å |
| 186 | C | 80.6 | Confident | 74.4 | Confident | 54 Ų | 54 | 100.2 Ų | 100.2 | 37% | 0.365 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2.3 | -179.4 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | C183 R188 H199 | C183-C186 VanDerWaalsContact CB-SG 3.59Å; C183-C186 PolarHBondContact SG-N 2.8Å; C183-C186 PolarHBondContact SG-SG 2.73Å; C186-R188 PolarHBondContact O-N 3.25Å; C186-R188 VanDerWaalsContact SG-CB 3.56Å; C186-R188 WeakPolarHBondContact SG-CG 3.26Å; C186-H199 PolarHBondContact SG-CE1 2.86Å; C186-H199 PolarHBondContact SG-NE2 3.41Å |
| 187 | K | 76.7 | Confident | 75.8 | Confident | 147 Ų | 147 | 100.4 Ų | 100.4 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | trans | 59.4 | 8.7 | 179.3 | -59.8 | -176.9 | -177.7 | -178.5 | 0 | 115.4 | R182 C183 | R182-K187 PolarHBondContact NH1-O 2.89Å; C183-K187 WeakPolarHBondContact O-CA 3.16Å; C183-K187 PolarHBondContact O-N 2.72Å | ||
| 188 | R | 79.8 | Confident | 77.3 | Confident | 162 Ų | 162 | 98.5 Ų | 98.5 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | trans | -66.5 | 143.3 | 174.3 | -68.5 | 179.8 | 71.8 | 155.3 | 3.7 | 111.2 | R182 C183 C186 F190 | R182-R188 WeakPolarHBondContact CA-O 3.4Å; C183-R188 PolarHBondContact N-O 3.35Å; C186-R188 PolarHBondContact O-N 3.25Å; C186-R188 VanDerWaalsContact SG-CB 3.56Å; C186-R188 WeakPolarHBondContact SG-CG 3.26Å; R188-F190 HydrophobicContact CB-CE2 3.83Å; R188-F190 HydrophobicContact CB-CZ 4.04Å | ||
| 189 | R | 85.8 | Confident | 78.8 | Confident | 148 Ų | 148 | 90.7 Ų | 90.7 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.1 | 175.7 | -72.1 | 173.9 | 144.1 | 172.7 | -6.7 | 110.3 | E180 | E180-R189 IonicContact OE1-CZ 2.8Å; E180-R189 IonicContact OE1-NE 2.98Å; E180-R189 PolarHBondContact OE1-NE 3.26Å; E180-R189 IonicContact OE1-NH1 3.29Å; E180-R189 PolarHBondContact OE1-NH1 3.45Å; E180-R189 IonicContact OE1-NH2 2.93Å; E180-R189 PolarHBondContact OE1-NH2 3.21Å; E180-R189 IonicContact OE2-CZ 2.94Å; E180-R189 IonicContact OE2-NE 2.76Å; E180-R189 PolarHBondContact OE2-NE 3.1Å; E180-R189 IonicContact OE2-NH2 2.58Å; E180-R189 PolarHBondContact OE2-NH2 2.85Å |
| 190 | F | 83.6 | Confident | 80.1 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.4 | 176.2 | -63.5 | -86.6 | 0 | 0 | 0 | 109.4 | F181 C183 R188 T192 A195 L196 H199 | F181-F190 HydrophobicContact CB-CB 4.26Å; F181-F190 PolarHBondContact N-O 3.47Å; F181-F190 PolarHBondContact O-N 3.39Å; C183-F190 HydrophobicContact CB-CE2 4.11Å; R188-F190 HydrophobicContact CB-CE2 3.83Å; R188-F190 HydrophobicContact CB-CZ 4.04Å; F190-T192 VanDerWaalsContact C-N 3.29Å; F190-A195 HydrophobicContact CB-CB 4.12Å; F190-A195 HydrophobicContact CD1-CB 3.88Å; F190-A195 HydrophobicContact CG-CB 4.37Å; F190-L196 HydrophobicContact CB-CB 4.15Å; F190-L196 HydrophobicContact CD2-CB 4.02Å; F190-L196 HydrophobicContact CD2-CD1 3.71Å; F190-L196 HydrophobicContact CD2-CG 4.48Å; F190-L196 HydrophobicContact CE2-CD1 3.97Å; F190-L196 HydrophobicContact CG-CB 4.17Å; F190-H199 HydrophobicContact CD1-CB 4.43Å; F190-H199 HydrophobicContact CE1-CB 3.6Å; F190-H199 AromaticContact CE1-CG 3.9Å; F190-H199 HydrophobicContact CE2-CB 3.89Å; F190-H199 AromaticContact CE2-CD2 3.47Å; F190-H199 VanDerWaalsContact CE2-CD2 3.47Å; F190-H199 WeakPolarHBondContact CE2-CD2 3.27Å; F190-H199 AromaticContact CE2-CG 3.59Å; F190-H199 HydrophobicContact CZ-CB 3.31Å; F190-H199 AromaticContact CZ-CD2 3.49Å; F190-H199 VanDerWaalsContact CZ-CD2 3.49Å; F190-H199 WeakPolarHBondContact CZ-CD2 3.42Å; F190-H199 AromaticContact CZ-CE1 3.98Å; F190-H199 AromaticContact CZ-CG 3.1Å; F190-H199 AromaticContact CZ-ND1 3.45Å; F190-H199 WeakPolarHBondContact CZ-ND1 3.45Å; F190-H199 AromaticContact CZ-NE2 4Å |
| 191 | E | 82.1 | Confident | 80.8 | Confident | 181 Ų | 181 | 81.8 Ų | 81.8 | 85% | 0.846 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.4 | -27.7 | 179.6 | -173.9 | 177.6 | -178.5 | 0 | 0 | 112.2 | ||
| 192 | T | 82.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -133.1 | 151.6 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | F190 A194 A195 L196 | F190-T192 VanDerWaalsContact C-N 3.29Å; T192-A194 VanDerWaalsContact C-N 3.25Å; T192-A194 PolarHBondContact O-N 3.13Å; T192-A195 PolarHBondContact O-N 3.29Å; T192-A195 WeakPolarHBondContact OG1-CB 3.25Å; T192-A195 PolarHBondContact OG1-N 3.5Å; T192-L196 PolarHBondContact O-N 3.29Å; T192-L196 VanDerWaalsContact O-N 3.14Å |
| 193 | E | 84.6 | Confident | 80.5 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 40% | 0.397 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 174.8 | -164.1 | -179.6 | 174 | 0 | 0 | 111.7 | F181 A195 L196 R197 | F181-E193 HydrophobicContact CD1-CB 3.77Å; F181-E193 HydrophobicContact CD1-CG 3.8Å; F181-E193 HydrophobicContact CD2-CB 4.33Å; F181-E193 HydrophobicContact CE1-CB 3.45Å; F181-E193 VanDerWaalsContact CE1-CB 3.45Å; F181-E193 HydrophobicContact CE1-CG 3.59Å; F181-E193 HydrophobicContact CE2-CB 4.05Å; F181-E193 HydrophobicContact CG-CB 4.19Å; F181-E193 HydrophobicContact CZ-CB 3.61Å; F181-E193 HydrophobicContact CZ-CG 4.25Å; E193-A195 VanDerWaalsContact C-N 3.29Å; E193-A195 PolarHBondContact O-N 2.57Å; E193-L196 PolarHBondContact O-N 3.2Å; E193-L196 VanDerWaalsContact O-N 3.16Å; E193-R197 HydrophobicContact CG-CG 4.47Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.89Å; E193-R197 IonicContact OE1-CZ 3.21Å; E193-R197 IonicContact OE1-NE 3.34Å; E193-R197 PolarHBondContact OE1-NE 2.93Å; E193-R197 IonicContact OE1-NH2 2.56Å; E193-R197 PolarHBondContact OE1-NH2 3.18Å; E193-R197 IonicContact OE2-NH2 2.86Å |
| 194 | A | 84.1 | Confident | 79.8 | Confident | 65 Ų | 65 | 83.6 Ų | 83.6 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T192 R197 L198 | T192-A194 VanDerWaalsContact C-N 3.25Å; T192-A194 PolarHBondContact O-N 3.13Å; A194-R197 PolarHBondContact O-N 2.88Å; A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.13Å |
| 195 | A | 83.3 | Confident | 79.1 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 28% | 0.281 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F190 T192 E193 L198 H199 | F190-A195 HydrophobicContact CB-CB 4.12Å; F190-A195 HydrophobicContact CD1-CB 3.88Å; F190-A195 HydrophobicContact CG-CB 4.37Å; T192-A195 PolarHBondContact O-N 3.29Å; T192-A195 WeakPolarHBondContact OG1-CB 3.25Å; T192-A195 PolarHBondContact OG1-N 3.5Å; E193-A195 VanDerWaalsContact C-N 3.29Å; E193-A195 PolarHBondContact O-N 2.57Å; A195-L198 PolarHBondContact O-N 3.19Å; A195-H199 VanDerWaalsContact O-CB 3.31Å; A195-H199 WeakPolarHBondContact O-CB 3.42Å; A195-H199 PolarHBondContact O-N 2.79Å |
| 196 | L | 84.5 | Confident | 78.4 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 14% | 0.141 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 172.1 | 174.7 | 62.6 | 0 | 0 | 0 | 111.3 | F181 C183 F190 T192 E193 L198 H199 M200 | F181-L196 HydrophobicContact CB-CB 3.82Å; F181-L196 HydrophobicContact CB-CD2 3.78Å; F181-L196 HydrophobicContact CB-CG 4.38Å; F181-L196 HydrophobicContact CD1-CD2 4.39Å; C183-L196 HydrophobicContact CB-CD1 3.75Å; F190-L196 HydrophobicContact CB-CB 4.15Å; F190-L196 HydrophobicContact CD2-CB 4.02Å; F190-L196 HydrophobicContact CD2-CD1 3.71Å; F190-L196 HydrophobicContact CD2-CG 4.48Å; F190-L196 HydrophobicContact CE2-CD1 3.97Å; F190-L196 HydrophobicContact CG-CB 4.17Å; T192-L196 PolarHBondContact O-N 3.29Å; T192-L196 VanDerWaalsContact O-N 3.14Å; E193-L196 PolarHBondContact O-N 3.2Å; E193-L196 VanDerWaalsContact O-N 3.16Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.34Å; L196-H199 CarbonylContact O-C 3.58Å; L196-H199 WeakPolarHBondContact O-CA 3.41Å; L196-H199 WeakPolarHBondContact O-CB 3.16Å; L196-H199 PolarHBondContact O-N 3.19Å; L196-H199 VanDerWaalsContact O-N 3.09Å; L196-M200 HydrophobicContact CD1-CG 4.02Å; L196-M200 HydrophobicContact CD1-SD 4.14Å; L196-M200 HydrophobicContact CG-CG 4.28Å; L196-M200 VanDerWaalsContact O-CG 3.29Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.21Å |
| 197 | R | 83.2 | Confident | 77.5 | Confident | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 178.7 | -71.7 | 179.6 | -173.3 | 167.4 | -2 | 112.3 | E193 A194 R201 | E193-R197 HydrophobicContact CG-CG 4.47Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.89Å; E193-R197 IonicContact OE1-CZ 3.21Å; E193-R197 IonicContact OE1-NE 3.34Å; E193-R197 PolarHBondContact OE1-NE 2.93Å; E193-R197 IonicContact OE1-NH2 2.56Å; E193-R197 PolarHBondContact OE1-NH2 3.18Å; E193-R197 IonicContact OE2-NH2 2.86Å; A194-R197 PolarHBondContact O-N 2.88Å; R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.3Å; R197-R201 PolarHBondContact O-NE 3Å |
| 198 | L | 82.5 | Confident | 77 | Confident | 47 Ų | 47 | 82.9 Ų | 82.9 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.3 | 179.1 | 59.8 | 0 | 0 | 0 | 111.2 | A194 A195 L196 R201 A202 A221 D222 | A194-L198 WeakPolarHBondContact O-CB 3.41Å; A194-L198 PolarHBondContact O-N 3.13Å; A195-L198 PolarHBondContact O-N 3.19Å; L196-L198 VanDerWaalsContact C-N 3.3Å; L196-L198 PolarHBondContact O-N 3.34Å; L198-R201 PolarHBondContact O-N 3.45Å; L198-A202 VanDerWaalsContact O-CB 3.22Å; L198-A202 WeakPolarHBondContact O-CB 3.37Å; L198-A202 PolarHBondContact O-N 3.45Å; L198-A221 HydrophobicContact CD1-CB 3.59Å; L198-A221 WeakPolarHBondContact CD1-O 3.41Å; L198-D222 HydrophobicContact CD1-CB 3.68Å; L198-D222 HydrophobicContact CD2-CB 4.17Å |
| 199 | H | 82.2 | Confident | 76.7 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.065 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.3 | 165.9 | 76.6 | 0 | 0 | 0 | 112.2 | C183 C186 F190 A195 L196 A202 H203 I204 | C183-H199 PolarHBondContact SG-NE2 2.89Å; C186-H199 PolarHBondContact SG-CE1 2.86Å; C186-H199 PolarHBondContact SG-NE2 3.41Å; F190-H199 HydrophobicContact CD1-CB 4.43Å; F190-H199 HydrophobicContact CE1-CB 3.6Å; F190-H199 AromaticContact CE1-CG 3.9Å; F190-H199 HydrophobicContact CE2-CB 3.89Å; F190-H199 AromaticContact CE2-CD2 3.47Å; F190-H199 VanDerWaalsContact CE2-CD2 3.47Å; F190-H199 WeakPolarHBondContact CE2-CD2 3.27Å; F190-H199 AromaticContact CE2-CG 3.59Å; F190-H199 HydrophobicContact CZ-CB 3.31Å; F190-H199 AromaticContact CZ-CD2 3.49Å; F190-H199 VanDerWaalsContact CZ-CD2 3.49Å; F190-H199 WeakPolarHBondContact CZ-CD2 3.42Å; F190-H199 AromaticContact CZ-CE1 3.98Å; F190-H199 AromaticContact CZ-CG 3.1Å; F190-H199 AromaticContact CZ-ND1 3.45Å; F190-H199 WeakPolarHBondContact CZ-ND1 3.45Å; F190-H199 AromaticContact CZ-NE2 4Å; A195-H199 VanDerWaalsContact O-CB 3.31Å; A195-H199 WeakPolarHBondContact O-CB 3.42Å; A195-H199 PolarHBondContact O-N 2.79Å; L196-H199 CarbonylContact O-C 3.58Å; L196-H199 WeakPolarHBondContact O-CA 3.41Å; L196-H199 WeakPolarHBondContact O-CB 3.16Å; L196-H199 PolarHBondContact O-N 3.19Å; L196-H199 VanDerWaalsContact O-N 3.09Å; H199-A202 PolarHBondContact O-N 2.7Å; H199-H203 AromaticContact ND1-CD2 3.45Å; H199-H203 PolarHBondContact ND1-CD2 2.88Å; H199-H203 WeakPolarHBondContact O-CB 3.17Å; H199-H203 PolarHBondContact O-N 3.31Å; H199-I204 WeakPolarHBondContact NE2-CD1 3.38Å |
| 200 | M | 80.8 | Confident | 76.3 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | I | π-helix | trans | -60.6 | -47.4 | 177.5 | -64.6 | -57.9 | -68.6 | 0 | 0 | 111.2 | C183 L196 A202 I204 H205 | C183-M200 HydrophobicContact CB-SD 4.31Å; C183-M200 VanDerWaalsContact SG-SD 3.63Å; L196-M200 HydrophobicContact CD1-CG 4.02Å; L196-M200 HydrophobicContact CD1-SD 4.14Å; L196-M200 HydrophobicContact CG-CG 4.28Å; L196-M200 VanDerWaalsContact O-CG 3.29Å; L196-M200 WeakPolarHBondContact O-CG 3.32Å; L196-M200 PolarHBondContact O-N 3.21Å; M200-A202 PolarHBondContact O-N 3.11Å; M200-I204 HydrophobicContact CE-CB 4Å; M200-I204 HydrophobicContact CE-CD1 4.11Å; M200-I204 HydrophobicContact CE-CG2 3.54Å; M200-I204 PolarHBondContact O-N 3.34Å; M200-I204 HydrophobicContact SD-CB 4.19Å; M200-I204 HydrophobicContact SD-CD1 3.42Å; M200-I204 WeakPolarHBondContact SD-CD1 3.44Å; M200-I204 HydrophobicContact SD-CG1 4.44Å; M200-I204 HydrophobicContact SD-CG2 4.3Å; M200-H205 VanDerWaalsContact CE-NE2 3.31Å; M200-H205 WeakPolarHBondContact CE-NE2 3.23Å; M200-H205 PolarHBondContact O-N 2.97Å |
| 201 | R | 79.6 | Confident | 76 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 28% | 0.275 | 41% | 0.413 | S | S | . | . | I | π-helix | trans | -61.4 | -41.6 | 175.6 | -76.8 | -178.9 | -73.2 | 162 | -2.7 | 113.2 | R197 L198 A221 | R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.3Å; R197-R201 PolarHBondContact O-NE 3Å; L198-R201 PolarHBondContact O-N 3.45Å; R201-A221 HydrophobicContact CB-CB 4.2Å; R201-A221 PolarHBondContact NH1-O 3.45Å |
| 202 | A | 74.7 | Confident | 75.7 | Confident | 39 Ų | 39 | 76 Ų | 76 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -77.2 | -31.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L198 H199 M200 A221 | L198-A202 VanDerWaalsContact O-CB 3.22Å; L198-A202 WeakPolarHBondContact O-CB 3.37Å; L198-A202 PolarHBondContact O-N 3.45Å; H199-A202 PolarHBondContact O-N 2.7Å; M200-A202 PolarHBondContact O-N 3.11Å; A202-A221 HydrophobicContact CB-CB 3.89Å |
| 203 | H | 70.7 | Confident | 75.4 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 64% | 0.644 | 38% | 0.384 | S | S | * | . | I | π-helix | trans | -126.7 | -25.4 | -165.2 | -64 | -72 | 0 | 0 | 0 | 115.8 | H199 | H199-H203 AromaticContact ND1-CD2 3.45Å; H199-H203 PolarHBondContact ND1-CD2 2.88Å; H199-H203 WeakPolarHBondContact O-CB 3.17Å; H199-H203 PolarHBondContact O-N 3.31Å |
| 204 | I | 65.9 | Low | 75.2 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 23% | 0.226 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -120.8 | -42.2 | -165.6 | -69.2 | 159.4 | 0 | 0 | 0 | 113.3 | C183 Q185 H199 M200 G206 | C183-I204 HydrophobicContact CB-CD1 4.42Å; C183-I204 WeakPolarHBondContact SG-CD1 3.37Å; Q185-I204 HydrophobicContact CB-CD1 4.06Å; Q185-I204 HydrophobicContact CB-CG1 4.26Å; Q185-I204 HydrophobicContact CB-CG2 3.94Å; Q185-I204 HydrophobicContact CG-CG2 3.61Å; H199-I204 WeakPolarHBondContact NE2-CD1 3.38Å; M200-I204 HydrophobicContact CE-CB 4Å; M200-I204 HydrophobicContact CE-CD1 4.11Å; M200-I204 HydrophobicContact CE-CG2 3.54Å; M200-I204 PolarHBondContact O-N 3.34Å; M200-I204 HydrophobicContact SD-CB 4.19Å; M200-I204 HydrophobicContact SD-CD1 3.42Å; M200-I204 WeakPolarHBondContact SD-CD1 3.44Å; M200-I204 HydrophobicContact SD-CG1 4.44Å; M200-I204 HydrophobicContact SD-CG2 4.3Å; I204-G206 VanDerWaalsContact C-N 3.26Å; I204-G206 PolarHBondContact O-N 3.14Å |
| 205 | H | 59.8 | Low | 74.8 | Confident | 124 Ų | 124 | 75 Ų | 75 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -87.4 | 10.2 | -177.6 | -74 | -37.7 | 0 | 0 | 0 | 114.4 | M200 | M200-H205 VanDerWaalsContact CE-NE2 3.31Å; M200-H205 WeakPolarHBondContact CE-NE2 3.23Å; M200-H205 PolarHBondContact O-N 2.97Å |
| 206 | G | 59.7 | Low | 74.5 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | trans | 67.8 | 113.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | I204 E208 | I204-G206 VanDerWaalsContact C-N 3.26Å; I204-G206 PolarHBondContact O-N 3.14Å; G206-E208 PolarHBondContact O-N 3.28Å | ||
| 207 | S | 60.9 | Low | 74.3 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 77% | 0.769 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 52.8 | 5.6 | 161.4 | -46.8 | 0 | 0 | 0 | 0 | 119.3 | K209 | S207-K209 PolarHBondContact O-N 3.13Š|
| 208 | E | 67.1 | Low | 74.1 | Confident | 125 Ų | 125 | 75.3 Ų | 75.3 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | trans | -73.7 | 78.8 | 174.5 | -73 | -157 | 156.9 | 0 | 0 | 109.7 | G206 P210 | G206-E208 PolarHBondContact O-N 3.28Å; E208-P210 VanDerWaalsContact C-CD 3.5Å; E208-P210 VanDerWaalsContact O-CD 3.26Å; E208-P210 WeakPolarHBondContact O-CD 3.31Å | ||
| 209 | K | 73.5 | Confident | 73.9 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | trans | -115.9 | 80 | -178.7 | -72.4 | 166.6 | 160.7 | -150.8 | 0 | 106.8 | S207 F211 A219 F220 | S207-K209 PolarHBondContact O-N 3.13Å; K209-F211 PolarHBondContact O-N 3.24Å; K209-A219 HydrophobicContact CB-CB 3.36Å; K209-A219 HydrophobicContact CD-CB 3.99Å; K209-A219 VanDerWaalsContact CD-O 3.31Å; K209-A219 WeakPolarHBondContact CD-O 3.27Å; K209-A219 HydrophobicContact CG-CB 4.3Å; K209-A219 PolarHBondContact NZ-O 3.07Å; K209-F220 CarbonylContact C-O 3.24Å; K209-F220 VanDerWaalsContact CA-O 3.27Å; K209-F220 WeakPolarHBondContact CA-O 3.48Å | ||
| 210 | P | 75.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 75.8 Ų | 75.8 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | trans | -65.1 | -22 | -172.9 | 25.1 | -33.5 | 0 | 0 | 0 | 112.2 | E208 K212 | E208-P210 VanDerWaalsContact C-CD 3.5Å; E208-P210 VanDerWaalsContact O-CD 3.26Å; E208-P210 WeakPolarHBondContact O-CD 3.31Å; P210-K212 PolarHBondContact O-N 2.75Å | ||
| 211 | F | 77.8 | Confident | 73.8 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 96.5 | -175.8 | -57.3 | -69.6 | 0 | 0 | 0 | 110.7 | K209 A219 F220 K223 L226 | K209-F211 PolarHBondContact O-N 3.24Å; F211-A219 CarbonylContact O-C 3.57Å; F211-A219 WeakPolarHBondContact O-CA 3.49Å; F211-F220 HydrophobicContact CB-CB 4.33Å; F211-F220 WeakPolarHBondContact CB-O 3.41Å; F211-F220 PolarHBondContact N-O 3.22Å; F211-F220 PolarHBondContact O-N 3.29Å; F211-K223 HydrophobicContact CD1-CB 4.14Å; F211-K223 HydrophobicContact CD1-CG 4.49Å; F211-K223 HydrophobicContact CE1-CB 3.88Å; F211-K223 HydrophobicContact CE1-CG 4.34Å; F211-K223 HydrophobicContact CE2-CB 4.29Å; F211-K223 HydrophobicContact CG-CB 4.46Å; F211-K223 HydrophobicContact CZ-CB 3.96Å; F211-L226 HydrophobicContact CB-CB 3.9Å; F211-L226 HydrophobicContact CB-CD2 3.7Å; F211-L226 HydrophobicContact CB-CG 4.34Å |
| 212 | K | 76.5 | Confident | 73.8 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.8 | 177.9 | -63 | -179.7 | -177.8 | 177.5 | 0 | 111.2 | P210 K218 A219 | P210-K212 PolarHBondContact O-N 2.75Å; K212-K218 CarbonylContact C-O 3.59Å; K212-K218 WeakPolarHBondContact CA-O 3.42Å; K212-A219 HydrophobicContact CG-CB 3.97Å |
| 213 | C | 76.8 | Confident | 74.1 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.02 | 41% | 0.409 | C | S | . | . | trans | -72.5 | 127.4 | 168.7 | -175 | 0 | 0 | 0 | 0 | 110 | V215 A217 K218 L226 H229 H233 | C213-V215 PolarHBondContact O-N 2.95Å; C213-V215 PolarHBondContact SG-N 3.41Å; C213-A217 WeakPolarHBondContact O-CA 3.29Å; C213-A217 PolarHBondContact O-N 3.2Å; C213-K218 PolarHBondContact N-O 3.42Å; C213-L226 HydrophobicContact CB-CD1 3.95Å; C213-H229 VanDerWaalsContact CB-NE2 3.34Å; C213-H229 WeakPolarHBondContact CB-NE2 3.44Å; C213-H229 PolarHBondContact SG-NE2 2.75Å; C213-H233 PolarHBondContact SG-CD2 3.18Å; C213-H233 PolarHBondContact SG-NE2 2.94Å | ||
| 214 | H | 80.5 | Confident | 74.5 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.2 | 175.2 | 63.4 | -90.7 | 0 | 0 | 0 | 112.9 | ||
| 215 | V | 74.8 | Confident | 75.1 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -42.5 | -176.8 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | C213 H233 | C213-V215 PolarHBondContact O-N 2.95Å; C213-V215 PolarHBondContact SG-N 3.41Å; V215-H233 HydrophobicContact CB-CB 4.35Å; V215-H233 HydrophobicContact CG1-CB 4.23Å; V215-H233 VanDerWaalsContact CG1-ND1 3.31Å; V215-H233 WeakPolarHBondContact CG1-ND1 3.35Å; V215-H233 HydrophobicContact CG2-CB 4.13Å |
| 216 | C | 77.8 | Confident | 76.2 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 9.2 | -177.7 | 70.3 | 0 | 0 | 0 | 0 | 114.8 | K218 H229 H233 | C216-K218 PolarHBondContact O-N 3.31Å; C216-K218 VanDerWaalsContact SG-CG 3.51Å; C216-H229 VanDerWaalsContact SG-CE1 3.51Å; C216-H229 PolarHBondContact SG-NE2 3.34Å; C216-H233 PolarHBondContact SG-NE2 2.9Å |
| 217 | A | 79.6 | Confident | 77.1 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | trans | 59.2 | 6.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C213 A219 | C213-A217 WeakPolarHBondContact O-CA 3.29Å; C213-A217 PolarHBondContact O-N 3.2Å; A217-A219 PolarHBondContact O-N 2.82Å | ||
| 218 | K | 79.3 | Confident | 77.8 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | trans | -63.3 | 132.6 | 175.5 | -76.8 | 179.7 | -178.9 | 176.2 | 0 | 111 | C122 K212 C213 C216 F220 | C122-K218 PolarHBondContact SG-NZ 3.08Å; K212-K218 CarbonylContact C-O 3.59Å; K212-K218 WeakPolarHBondContact CA-O 3.42Å; C213-K218 PolarHBondContact N-O 3.42Å; C216-K218 PolarHBondContact O-N 3.31Å; C216-K218 VanDerWaalsContact SG-CG 3.51Å; K218-F220 HydrophobicContact CB-CE2 3.87Å; K218-F220 HydrophobicContact CB-CZ 4.14Å; K218-F220 WeakPolarHBondContact O-CD2 3.46Å; K218-F220 WeakPolarHBondContact O-CE2 3.31Å | ||
| 219 | A | 78.3 | Confident | 78.4 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 22% | 0.223 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K209 F211 K212 A217 | K209-A219 HydrophobicContact CB-CB 3.36Å; K209-A219 HydrophobicContact CD-CB 3.99Å; K209-A219 VanDerWaalsContact CD-O 3.31Å; K209-A219 WeakPolarHBondContact CD-O 3.27Å; K209-A219 HydrophobicContact CG-CB 4.3Å; K209-A219 PolarHBondContact NZ-O 3.07Å; F211-A219 CarbonylContact O-C 3.57Å; F211-A219 WeakPolarHBondContact O-CA 3.49Å; K212-A219 HydrophobicContact CG-CB 3.97Å; A217-A219 PolarHBondContact O-N 2.82Å |
| 220 | F | 78.8 | Confident | 78.5 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147 | -178.9 | -60.2 | -89.8 | 0 | 0 | 0 | 111 | K209 F211 K218 D222 N225 L226 H229 | K209-F220 CarbonylContact C-O 3.24Å; K209-F220 VanDerWaalsContact CA-O 3.27Å; K209-F220 WeakPolarHBondContact CA-O 3.48Å; F211-F220 HydrophobicContact CB-CB 4.33Å; F211-F220 WeakPolarHBondContact CB-O 3.41Å; F211-F220 PolarHBondContact N-O 3.22Å; F211-F220 PolarHBondContact O-N 3.29Å; K218-F220 HydrophobicContact CB-CE2 3.87Å; K218-F220 HydrophobicContact CB-CZ 4.14Å; K218-F220 WeakPolarHBondContact O-CD2 3.46Å; K218-F220 WeakPolarHBondContact O-CE2 3.31Å; F220-D222 VanDerWaalsContact C-N 3.34Å; F220-N225 HydrophobicContact CB-CB 4.29Å; F220-N225 HydrophobicContact CD1-CB 3.93Å; F220-N225 HydrophobicContact CG-CB 4.4Å; F220-L226 HydrophobicContact CB-CB 4.25Å; F220-L226 HydrophobicContact CD2-CB 4.08Å; F220-L226 HydrophobicContact CD2-CD1 3.77Å; F220-L226 HydrophobicContact CE2-CD1 4.11Å; F220-L226 HydrophobicContact CG-CB 4.32Å; F220-H229 HydrophobicContact CE1-CB 3.91Å; F220-H229 HydrophobicContact CE2-CB 3.79Å; F220-H229 AromaticContact CE2-CD2 3.22Å; F220-H229 WeakPolarHBondContact CE2-CD2 3.15Å; F220-H229 AromaticContact CE2-CG 3.49Å; F220-H229 VanDerWaalsContact CE2-CG 3.49Å; F220-H229 AromaticContact CE2-NE2 3.85Å; F220-H229 HydrophobicContact CZ-CB 3.38Å; F220-H229 AromaticContact CZ-CD2 3.44Å; F220-H229 VanDerWaalsContact CZ-CD2 3.44Å; F220-H229 WeakPolarHBondContact CZ-CD2 3.29Å; F220-H229 AromaticContact CZ-CG 3.18Å; F220-H229 AromaticContact CZ-ND1 3.68Å; F220-H229 AromaticContact CZ-NE2 3.99Å |
| 221 | A | 81 | Confident | 78.3 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -81.7 | -14.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L198 R201 A202 | L198-A221 HydrophobicContact CD1-CB 3.59Å; L198-A221 WeakPolarHBondContact CD1-O 3.41Å; R201-A221 HydrophobicContact CB-CB 4.2Å; R201-A221 PolarHBondContact NH1-O 3.45Å; A202-A221 HydrophobicContact CB-CB 3.89Å |
| 222 | D | 80 | Confident | 78 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -133.6 | 146.2 | 178.9 | -173.2 | 26.1 | 0 | 0 | 0 | 112 | L198 F220 S224 N225 L226 | L198-D222 HydrophobicContact CD1-CB 3.68Å; L198-D222 HydrophobicContact CD2-CB 4.17Å; F220-D222 VanDerWaalsContact C-N 3.34Å; D222-S224 VanDerWaalsContact C-N 3.32Å; D222-S224 PolarHBondContact O-N 3.16Å; D222-S224 WeakPolarHBondContact OD2-CB 3.46Å; D222-S224 PolarHBondContact OD2-N 3.14Å; D222-S224 PolarHBondContact OD2-OG 3.2Å; D222-N225 HydrophobicContact CB-CB 4.45Å; D222-N225 PolarHBondContact O-N 2.92Å; D222-L226 PolarHBondContact O-N 2.91Å; D222-L226 VanDerWaalsContact O-N 3.13Å |
| 223 | K | 81.2 | Confident | 77.7 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177.4 | -173 | 174.7 | -178.5 | 174.8 | 0 | 111.4 | F211 N225 L226 R227 | F211-K223 HydrophobicContact CD1-CB 4.14Å; F211-K223 HydrophobicContact CD1-CG 4.49Å; F211-K223 HydrophobicContact CE1-CB 3.88Å; F211-K223 HydrophobicContact CE1-CG 4.34Å; F211-K223 HydrophobicContact CE2-CB 4.29Å; F211-K223 HydrophobicContact CG-CB 4.46Å; F211-K223 HydrophobicContact CZ-CB 3.96Å; K223-N225 VanDerWaalsContact C-N 3.31Å; K223-N225 PolarHBondContact O-N 3.38Å; K223-L226 PolarHBondContact O-N 3.09Å; K223-R227 WeakPolarHBondContact O-CB 3.41Å; K223-R227 PolarHBondContact O-N 2.83Å |
| 224 | S | 78.7 | Confident | 77.3 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 178 | -40.7 | 0 | 0 | 0 | 0 | 111.2 | D222 R227 A228 | D222-S224 VanDerWaalsContact C-N 3.32Å; D222-S224 PolarHBondContact O-N 3.16Å; D222-S224 WeakPolarHBondContact OD2-CB 3.46Å; D222-S224 PolarHBondContact OD2-N 3.14Å; D222-S224 PolarHBondContact OD2-OG 3.2Å; S224-R227 PolarHBondContact O-N 3.39Å; S224-A228 WeakPolarHBondContact O-CB 3.36Å; S224-A228 PolarHBondContact O-N 3.35Å |
| 225 | N | 79.6 | Confident | 76.6 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.8 | -69.4 | -22.1 | 0 | 0 | 0 | 112 | F220 D222 K223 A228 H229 | F220-N225 HydrophobicContact CB-CB 4.29Å; F220-N225 HydrophobicContact CD1-CB 3.93Å; F220-N225 HydrophobicContact CG-CB 4.4Å; D222-N225 HydrophobicContact CB-CB 4.45Å; D222-N225 PolarHBondContact O-N 2.92Å; K223-N225 VanDerWaalsContact C-N 3.31Å; K223-N225 PolarHBondContact O-N 3.38Å; N225-A228 PolarHBondContact O-N 3.39Å; N225-H229 VanDerWaalsContact O-CB 3.29Å; N225-H229 WeakPolarHBondContact O-CB 3.31Å; N225-H229 PolarHBondContact O-N 3.21Å |
| 226 | L | 81.7 | Confident | 76.2 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.4 | 174 | 63.2 | 0 | 0 | 0 | 111.3 | F211 C213 F220 D222 K223 A228 H229 I230 | F211-L226 HydrophobicContact CB-CB 3.9Å; F211-L226 HydrophobicContact CB-CD2 3.7Å; F211-L226 HydrophobicContact CB-CG 4.34Å; C213-L226 HydrophobicContact CB-CD1 3.95Å; F220-L226 HydrophobicContact CB-CB 4.25Å; F220-L226 HydrophobicContact CD2-CB 4.08Å; F220-L226 HydrophobicContact CD2-CD1 3.77Å; F220-L226 HydrophobicContact CE2-CD1 4.11Å; F220-L226 HydrophobicContact CG-CB 4.32Å; D222-L226 PolarHBondContact O-N 2.91Å; D222-L226 VanDerWaalsContact O-N 3.13Å; K223-L226 PolarHBondContact O-N 3.09Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 2.63Å; L226-H229 CarbonylContact O-C 3.55Å; L226-H229 WeakPolarHBondContact O-CB 3.36Å; L226-H229 PolarHBondContact O-N 3.27Å; L226-H229 VanDerWaalsContact O-N 3.13Å; L226-I230 HydrophobicContact CD1-CD1 3.9Å; L226-I230 HydrophobicContact CD1-CG1 4.04Å; L226-I230 HydrophobicContact CD2-CD1 4.36Å; L226-I230 HydrophobicContact CG-CD1 3.82Å; L226-I230 HydrophobicContact CG-CG1 4.37Å; L226-I230 WeakPolarHBondContact O-CG1 3.22Å; L226-I230 PolarHBondContact O-N 2.58Å |
| 227 | R | 79.5 | Confident | 75.9 | Confident | 117 Ų | 117 | 53 Ų | 53 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 178.5 | -178.6 | -177.7 | -77.8 | 178 | -7.9 | 111.4 | K223 S224 H229 I230 Q231 | K223-R227 WeakPolarHBondContact O-CB 3.41Å; K223-R227 PolarHBondContact O-N 2.83Å; S224-R227 PolarHBondContact O-N 3.39Å; R227-H229 VanDerWaalsContact C-N 3.27Å; R227-H229 PolarHBondContact O-N 3.4Å; R227-I230 PolarHBondContact O-N 2.88Å; R227-Q231 WeakPolarHBondContact O-CG 3.45Å; R227-Q231 PolarHBondContact O-N 3.48Å |
| 228 | A | 76.5 | Confident | 75.5 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S224 N225 L226 Q231 L250 | S224-A228 WeakPolarHBondContact O-CB 3.36Å; S224-A228 PolarHBondContact O-N 3.35Å; N225-A228 PolarHBondContact O-N 3.39Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 2.63Å; A228-Q231 WeakPolarHBondContact O-CB 3.19Å; A228-L250 HydrophobicContact CB-CD1 3.81Å; A228-L250 HydrophobicContact CB-CD2 3.34Å; A228-L250 HydrophobicContact CB-CG 3.64Å |
| 229 | H | 79.4 | Confident | 75.3 | Confident | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 176.8 | 167.3 | 67.5 | 0 | 0 | 0 | 112.4 | C213 C216 F220 N225 L226 R227 Q231 T232 H233 | C213-H229 VanDerWaalsContact CB-NE2 3.34Å; C213-H229 WeakPolarHBondContact CB-NE2 3.44Å; C213-H229 PolarHBondContact SG-NE2 2.75Å; C216-H229 VanDerWaalsContact SG-CE1 3.51Å; C216-H229 PolarHBondContact SG-NE2 3.34Å; F220-H229 HydrophobicContact CE1-CB 3.91Å; F220-H229 HydrophobicContact CE2-CB 3.79Å; F220-H229 AromaticContact CE2-CD2 3.22Å; F220-H229 WeakPolarHBondContact CE2-CD2 3.15Å; F220-H229 AromaticContact CE2-CG 3.49Å; F220-H229 VanDerWaalsContact CE2-CG 3.49Å; F220-H229 AromaticContact CE2-NE2 3.85Å; F220-H229 HydrophobicContact CZ-CB 3.38Å; F220-H229 AromaticContact CZ-CD2 3.44Å; F220-H229 VanDerWaalsContact CZ-CD2 3.44Å; F220-H229 WeakPolarHBondContact CZ-CD2 3.29Å; F220-H229 AromaticContact CZ-CG 3.18Å; F220-H229 AromaticContact CZ-ND1 3.68Å; F220-H229 AromaticContact CZ-NE2 3.99Å; N225-H229 VanDerWaalsContact O-CB 3.29Å; N225-H229 WeakPolarHBondContact O-CB 3.31Å; N225-H229 PolarHBondContact O-N 3.21Å; L226-H229 CarbonylContact O-C 3.55Å; L226-H229 WeakPolarHBondContact O-CB 3.36Å; L226-H229 PolarHBondContact O-N 3.27Å; L226-H229 VanDerWaalsContact O-N 3.13Å; R227-H229 VanDerWaalsContact C-N 3.27Å; R227-H229 PolarHBondContact O-N 3.4Å; H229-Q231 PolarHBondContact O-N 2.98Å; H229-T232 WeakPolarHBondContact O-CA 3.34Å; H229-T232 VanDerWaalsContact O-CB 3.31Å; H229-T232 WeakPolarHBondContact O-CB 3.36Å; H229-T232 PolarHBondContact O-N 3.4Å; H229-T232 PolarHBondContact O-OG1 2.82Å; H229-H233 AromaticContact CE1-CD2 3.82Å; H229-H233 AromaticContact CE1-NE2 3.29Å; H229-H233 PolarHBondContact CE1-NE2 3.06Å; H229-H233 VanDerWaalsContact CE1-NE2 3.29Å; H229-H233 AromaticContact NE2-CD2 3.61Å; H229-H233 AromaticContact NE2-NE2 3.18Å; H229-H233 PolarHBondContact NE2-NE2 2.57Å; H229-H233 VanDerWaalsContact NE2-NE2 3.18Å |
| 230 | I | 75.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -32.3 | 176.9 | -69.2 | 167.1 | 0 | 0 | 0 | 111.6 | L226 R227 T232 H233 S234 | L226-I230 HydrophobicContact CD1-CD1 3.9Å; L226-I230 HydrophobicContact CD1-CG1 4.04Å; L226-I230 HydrophobicContact CD2-CD1 4.36Å; L226-I230 HydrophobicContact CG-CD1 3.82Å; L226-I230 HydrophobicContact CG-CG1 4.37Å; L226-I230 WeakPolarHBondContact O-CG1 3.22Å; L226-I230 PolarHBondContact O-N 2.58Å; R227-I230 PolarHBondContact O-N 2.88Å; I230-T232 PolarHBondContact O-N 3.29Å; I230-H233 PolarHBondContact O-N 2.76Å; I230-H233 VanDerWaalsContact O-N 3.1Å; I230-S234 PolarHBondContact O-N 2.93Å; I230-S234 PolarHBondContact O-OG 3.02Å |
| 231 | Q | 70.5 | Confident | 75.2 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -28.4 | 172.9 | -69.8 | 162.5 | -11.8 | 0 | 0 | 112.3 | R227 A228 H229 S234 G235 L236 P238 A249 I275 | R227-Q231 WeakPolarHBondContact O-CG 3.45Å; R227-Q231 PolarHBondContact O-N 3.48Å; A228-Q231 WeakPolarHBondContact O-CB 3.19Å; H229-Q231 PolarHBondContact O-N 2.98Å; Q231-S234 WeakPolarHBondContact CA-OG 3.09Å; Q231-S234 PolarHBondContact O-OG 3.45Å; Q231-G235 PolarHBondContact O-N 3.37Å; Q231-L236 PolarHBondContact O-N 2.82Å; Q231-P238 HydrophobicContact CG-CG 4.23Å; Q231-A249 HydrophobicContact CB-CB 3.96Å; Q231-A249 PolarHBondContact OE1-O 3.47Å; Q231-I275 HydrophobicContact CG-CD1 4Å |
| 232 | T | 72 | Confident | 75.1 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.3 | -30.3 | 175 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | H229 I230 A249 | H229-T232 WeakPolarHBondContact O-CA 3.34Å; H229-T232 VanDerWaalsContact O-CB 3.31Å; H229-T232 WeakPolarHBondContact O-CB 3.36Å; H229-T232 PolarHBondContact O-N 3.4Å; H229-T232 PolarHBondContact O-OG1 2.82Å; I230-T232 PolarHBondContact O-N 3.29Å; T232-A249 HydrophobicContact CG2-CB 4.44Å |
| 233 | H | 71.2 | Confident | 74.9 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.8 | -39.8 | 175.1 | -79 | -62.9 | 0 | 0 | 0 | 112.6 | C213 V215 C216 H229 I230 G235 | C213-H233 PolarHBondContact SG-CD2 3.18Å; C213-H233 PolarHBondContact SG-NE2 2.94Å; V215-H233 HydrophobicContact CB-CB 4.35Å; V215-H233 HydrophobicContact CG1-CB 4.23Å; V215-H233 VanDerWaalsContact CG1-ND1 3.31Å; V215-H233 WeakPolarHBondContact CG1-ND1 3.35Å; V215-H233 HydrophobicContact CG2-CB 4.13Å; C216-H233 PolarHBondContact SG-NE2 2.9Å; H229-H233 AromaticContact CE1-CD2 3.82Å; H229-H233 AromaticContact CE1-NE2 3.29Å; H229-H233 PolarHBondContact CE1-NE2 3.06Å; H229-H233 VanDerWaalsContact CE1-NE2 3.29Å; H229-H233 AromaticContact NE2-CD2 3.61Å; H229-H233 AromaticContact NE2-NE2 3.18Å; H229-H233 PolarHBondContact NE2-NE2 2.57Å; H229-H233 VanDerWaalsContact NE2-NE2 3.18Å; I230-H233 PolarHBondContact O-N 2.76Å; I230-H233 VanDerWaalsContact O-N 3.1Å; H233-G235 VanDerWaalsContact C-N 3.27Å; H233-G235 PolarHBondContact O-N 3.45Å |
| 234 | S | 66.4 | Low | 74.8 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84.9 | -4.5 | -174.8 | 51 | 0 | 0 | 0 | 0 | 112.7 | I230 Q231 L236 | I230-S234 PolarHBondContact O-N 2.93Å; I230-S234 PolarHBondContact O-OG 3.02Å; Q231-S234 WeakPolarHBondContact CA-OG 3.09Å; Q231-S234 PolarHBondContact O-OG 3.45Å; S234-L236 PolarHBondContact O-N 2.97Å; S234-L236 VanDerWaalsContact O-N 3.08Å; S234-L236 WeakPolarHBondContact OG-CD1 3.5Å; S234-L236 WeakPolarHBondContact OG-CG 3.34Å |
| 235 | G | 67 | Low | 74.6 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 6.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q231 H233 K237 | Q231-G235 PolarHBondContact O-N 3.37Å; H233-G235 VanDerWaalsContact C-N 3.27Å; H233-G235 PolarHBondContact O-N 3.45Å; G235-K237 PolarHBondContact O-N 2.9Å |
| 236 | L | 66 | Low | 74.4 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | trans | -71.7 | 127.8 | -177.5 | -53 | 179.4 | 0 | 0 | 0 | 108 | Q231 S234 P238 S271 K274 I275 | Q231-L236 PolarHBondContact O-N 2.82Å; S234-L236 PolarHBondContact O-N 2.97Å; S234-L236 VanDerWaalsContact O-N 3.08Å; S234-L236 WeakPolarHBondContact OG-CD1 3.5Å; S234-L236 WeakPolarHBondContact OG-CG 3.34Å; L236-P238 VanDerWaalsContact C-CD 3.42Å; L236-P238 VanDerWaalsContact O-CD 3.23Å; L236-P238 WeakPolarHBondContact O-CD 3.48Å; L236-S271 WeakPolarHBondContact CB-O 3.28Å; L236-S271 WeakPolarHBondContact CD2-O 3.47Å; L236-S271 WeakPolarHBondContact CD2-OG 3.27Å; L236-K274 HydrophobicContact CD1-CB 4.17Å; L236-I275 HydrophobicContact CD1-CD1 4.02Å; L236-I275 HydrophobicContact CD1-CG1 3.65Å | ||
| 237 | K | 70.7 | Confident | 74.1 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | trans | -120.8 | 80.8 | -178 | -77.4 | 167.3 | 165.5 | -156.4 | 0 | 110.1 | G235 F239 G247 F248 | G235-K237 PolarHBondContact O-N 2.9Å; K237-F239 PolarHBondContact O-N 3.48Å; K237-G247 VanDerWaalsContact CB-C 3.47Å; K237-G247 VanDerWaalsContact CB-CA 3.49Å; K237-G247 VanDerWaalsContact CD-C 3.49Å; K237-G247 WeakPolarHBondContact CD-O 3.41Å; K237-G247 VanDerWaalsContact CE-O 3.27Å; K237-G247 WeakPolarHBondContact CE-O 3.48Å; K237-G247 PolarHBondContact NZ-O 3.26Å; K237-F248 CarbonylContact C-O 3.45Å; K237-F248 VanDerWaalsContact C-O 3.24Å; K237-F248 WeakPolarHBondContact CA-O 3.5Å | ||
| 238 | P | 72 | Confident | 73.8 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | trans | -62.5 | -12.1 | -174.1 | -21.4 | 23.9 | 0 | 0 | 0 | 117.1 | Q231 L236 F248 Y272 | Q231-P238 HydrophobicContact CG-CG 4.23Å; L236-P238 VanDerWaalsContact C-CD 3.42Å; L236-P238 VanDerWaalsContact O-CD 3.23Å; L236-P238 WeakPolarHBondContact O-CD 3.48Å; P238-F248 WeakPolarHBondContact CD-O 3.45Å; P238-F248 VanDerWaalsContact N-O 3.17Å; P238-Y272 VanDerWaalsContact C-CZ 3.48Å; P238-Y272 WeakPolarHBondContact CA-OH 3.49Å; P238-Y272 HydrophobicContact CB-CD1 3.81Å; P238-Y272 HydrophobicContact CB-CE1 3.27Å; P238-Y272 HydrophobicContact CG-CD1 4.36Å; P238-Y272 HydrophobicContact CG-CE1 4.23Å; P238-Y272 VanDerWaalsContact O-CE1 3.25Å; P238-Y272 WeakPolarHBondContact O-CE1 3.38Å; P238-Y272 VanDerWaalsContact O-CZ 3.23Å; P238-Y272 PolarHBondContact O-OH 2.99Å | ||
| 239 | F | 75.6 | Confident | 73.6 | Confident | 67 Ų | 67 | 51 Ų | 51 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 118.5 | -174.1 | -59.4 | -73.7 | 0 | 0 | 0 | 107.2 | K237 G247 F248 A249 K251 L254 | K237-F239 PolarHBondContact O-N 3.48Å; F239-G247 CarbonylContact O-C 3.56Å; F239-G247 WeakPolarHBondContact O-CA 3.27Å; F239-F248 HydrophobicContact CB-CB 4.31Å; F239-F248 PolarHBondContact N-O 3.35Å; F239-F248 WeakPolarHBondContact O-CA 3.46Å; F239-F248 WeakPolarHBondContact O-CB 3.38Å; F239-F248 WeakPolarHBondContact O-CD2 3.12Å; F239-F248 PolarHBondContact O-N 3.31Å; F239-A249 VanDerWaalsContact CD2-O 3.32Å; F239-A249 WeakPolarHBondContact CD2-O 3.46Å; F239-A249 WeakPolarHBondContact CE2-O 3.46Å; F239-K251 HydrophobicContact CD1-CB 3.95Å; F239-K251 HydrophobicContact CD1-CG 4.24Å; F239-K251 HydrophobicContact CD2-CB 4.24Å; F239-K251 HydrophobicContact CE1-CB 3.8Å; F239-K251 HydrophobicContact CE1-CD 4.46Å; F239-K251 HydrophobicContact CE1-CG 4.23Å; F239-K251 HydrophobicContact CE2-CB 4.09Å; F239-K251 HydrophobicContact CG-CB 4.15Å; F239-K251 HydrophobicContact CZ-CB 3.87Å; F239-L254 HydrophobicContact CB-CB 3.91Å; F239-L254 HydrophobicContact CB-CD2 3.86Å; F239-L254 HydrophobicContact CB-CG 4.44Å |
| 240 | S | 77.4 | Confident | 73.5 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.119 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.1 | -171.4 | 46.2 | 0 | 0 | 0 | 0 | 108.5 | R242 R246 M269 | S240-R242 PolarHBondContact O-N 3Å; S240-R246 VanDerWaalsContact CA-O 3.25Å; S240-R246 WeakPolarHBondContact CA-O 3.26Å; S240-M269 VanDerWaalsContact CB-CE 3.41Å; S240-M269 WeakPolarHBondContact OG-CE 3.31Å; S240-M269 WeakPolarHBondContact OG-CG 3.36Å; S240-M269 PolarHBondContact OG-SD 3.47Å |
| 241 | C | 78.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -66.5 | 128.5 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | K243 C244 G245 R246 F248 L254 | C241-K243 PolarHBondContact O-N 2.96Å; C241-K243 PolarHBondContact SG-N 2.92Å; C241-C244 WeakPolarHBondContact CB-SG 3.44Å; C241-G245 VanDerWaalsContact O-CA 3.23Å; C241-G245 WeakPolarHBondContact O-CA 3.22Å; C241-G245 PolarHBondContact O-N 2.68Å; C241-R246 PolarHBondContact N-O 2.86Å; C241-F248 HydrophobicContact CB-CE2 4.25Å; C241-L254 VanDerWaalsContact CA-CD1 3.41Å; C241-L254 HydrophobicContact CB-CD1 3.63Å | ||
| 242 | R | 78.2 | Confident | 74.4 | Confident | 234 Ų | 234 | 60.1 Ų | 60.1 | 88% | 0.883 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.3 | -179.9 | -61.9 | -173.5 | 74.7 | -152.3 | 3.1 | 112.7 | S240 | S240-R242 PolarHBondContact O-N 3Š|
| 243 | K | 75.7 | Confident | 74.8 | Confident | 156 Ų | 156 | 60.8 Ų | 60.8 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -46.5 | -177.9 | -64.9 | 178.9 | -179.6 | 177.5 | 0 | 112.7 | C241 C262 | C241-K243 PolarHBondContact O-N 2.96Å; C241-K243 PolarHBondContact SG-N 2.92Å; K243-C262 HydrophobicContact CB-CB 4.18Å; K243-C262 VanDerWaalsContact CB-SG 3.56Å; K243-C262 HydrophobicContact CD-CB 4.13Å |
| 244 | C | 79.9 | Confident | 75.4 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -17.8 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | C241 R246 H257 C262 N264 R265 I266 | C241-C244 WeakPolarHBondContact CB-SG 3.44Å; C244-R246 HydrophobicContact CB-CB 4.5Å; C244-R246 PolarHBondContact O-N 3.33Å; C244-R246 WeakPolarHBondContact SG-CB 3.42Å; C244-R246 PolarHBondContact SG-N 2.94Å; C244-H257 PolarHBondContact SG-NE2 2.92Å; C244-C262 WeakPolarHBondContact CB-SG 3.31Å; C244-C262 PolarHBondContact SG-SG 3.4Å; C244-N264 WeakPolarHBondContact CB-O 3.36Å; C244-R265 CarbonylContact O-C 3.33Å; C244-I266 PolarHBondContact O-N 3.01Å |
| 245 | G | 73.7 | Confident | 76.3 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | 77.6 | -1.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114 | C241 G247 | C241-G245 VanDerWaalsContact O-CA 3.23Å; C241-G245 WeakPolarHBondContact O-CA 3.22Å; C241-G245 PolarHBondContact O-N 2.68Å; G245-G247 PolarHBondContact O-N 3.18Å; G245-G247 VanDerWaalsContact O-N 3.17Å | ||
| 246 | R | 75.5 | Confident | 77 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | trans | -62.3 | 120.2 | 179.7 | -171.9 | 172 | -169.7 | 141.8 | 13.5 | 110.1 | E118 S240 C241 C244 F248 | E118-R246 IonicContact OE2-CZ 3.56Å; E118-R246 IonicContact OE2-NE 3.48Å; E118-R246 PolarHBondContact OE2-NE 3.43Å; E118-R246 IonicContact OE2-NH1 3.2Å; E118-R246 PolarHBondContact OE2-NH1 2.64Å; E118-R246 IonicContact OE2-NH2 2.63Å; E118-R246 PolarHBondContact OE2-NH2 3.33Å; S240-R246 VanDerWaalsContact CA-O 3.25Å; S240-R246 WeakPolarHBondContact CA-O 3.26Å; C241-R246 PolarHBondContact N-O 2.86Å; C244-R246 HydrophobicContact CB-CB 4.5Å; C244-R246 PolarHBondContact O-N 3.33Å; C244-R246 WeakPolarHBondContact SG-CB 3.42Å; C244-R246 PolarHBondContact SG-N 2.94Å; R246-F248 HydrophobicContact CB-CE2 4.03Å; R246-F248 HydrophobicContact CB-CZ 4.17Å; R246-F248 HydrophobicContact CG-CE1 4.38Å; R246-F248 HydrophobicContact CG-CE2 4.02Å; R246-F248 HydrophobicContact CG-CZ 3.8Å; R246-F248 VanDerWaalsContact O-CD2 3.26Å; R246-F248 WeakPolarHBondContact O-CD2 3.31Å; R246-F248 WeakPolarHBondContact O-CE2 3.45Å | ||
| 247 | G | 75.5 | Confident | 77.8 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 142.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K237 F239 G245 | K237-G247 VanDerWaalsContact CB-C 3.47Å; K237-G247 VanDerWaalsContact CB-CA 3.49Å; K237-G247 VanDerWaalsContact CD-C 3.49Å; K237-G247 WeakPolarHBondContact CD-O 3.41Å; K237-G247 VanDerWaalsContact CE-O 3.27Å; K237-G247 WeakPolarHBondContact CE-O 3.48Å; K237-G247 PolarHBondContact NZ-O 3.26Å; F239-G247 CarbonylContact O-C 3.56Å; F239-G247 WeakPolarHBondContact O-CA 3.27Å; G245-G247 PolarHBondContact O-N 3.18Å; G245-G247 VanDerWaalsContact O-N 3.17Å |
| 248 | F | 73.3 | Confident | 78.4 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.9 | -179.4 | -60.4 | -85 | 0 | 0 | 0 | 109.6 | K237 P238 F239 C241 R246 L254 H257 | K237-F248 CarbonylContact C-O 3.45Å; K237-F248 VanDerWaalsContact C-O 3.24Å; K237-F248 WeakPolarHBondContact CA-O 3.5Å; P238-F248 WeakPolarHBondContact CD-O 3.45Å; P238-F248 VanDerWaalsContact N-O 3.17Å; F239-F248 HydrophobicContact CB-CB 4.31Å; F239-F248 PolarHBondContact N-O 3.35Å; F239-F248 WeakPolarHBondContact O-CA 3.46Å; F239-F248 WeakPolarHBondContact O-CB 3.38Å; F239-F248 WeakPolarHBondContact O-CD2 3.12Å; F239-F248 PolarHBondContact O-N 3.31Å; C241-F248 HydrophobicContact CB-CE2 4.25Å; R246-F248 HydrophobicContact CB-CE2 4.03Å; R246-F248 HydrophobicContact CB-CZ 4.17Å; R246-F248 HydrophobicContact CG-CE1 4.38Å; R246-F248 HydrophobicContact CG-CE2 4.02Å; R246-F248 HydrophobicContact CG-CZ 3.8Å; R246-F248 VanDerWaalsContact O-CD2 3.26Å; R246-F248 WeakPolarHBondContact O-CD2 3.31Å; R246-F248 WeakPolarHBondContact O-CE2 3.45Å; F248-L254 HydrophobicContact CB-CB 4.47Å; F248-L254 HydrophobicContact CD2-CB 3.99Å; F248-L254 HydrophobicContact CD2-CD1 3.81Å; F248-L254 HydrophobicContact CE2-CD1 3.94Å; F248-L254 HydrophobicContact CG-CB 4.36Å; F248-H257 HydrophobicContact CE1-CB 3.98Å; F248-H257 HydrophobicContact CE2-CB 4Å; F248-H257 AromaticContact CE2-CD2 3.67Å; F248-H257 AromaticContact CE2-CG 3.78Å; F248-H257 HydrophobicContact CZ-CB 3.45Å; F248-H257 VanDerWaalsContact CZ-CB 3.45Å; F248-H257 AromaticContact CZ-CD2 3.61Å; F248-H257 AromaticContact CZ-CG 3.25Å; F248-H257 AromaticContact CZ-ND1 3.66Å |
| 249 | A | 72.6 | Confident | 78.9 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.1 | -38.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q231 T232 F239 | Q231-A249 HydrophobicContact CB-CB 3.96Å; Q231-A249 PolarHBondContact OE1-O 3.47Å; T232-A249 HydrophobicContact CG2-CB 4.44Å; F239-A249 VanDerWaalsContact CD2-O 3.32Å; F239-A249 WeakPolarHBondContact CD2-O 3.46Å; F239-A249 WeakPolarHBondContact CE2-O 3.46Å |
| 250 | L | 76 | Confident | 78.9 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -116.2 | 142.9 | -173.6 | -76.9 | 173.3 | 0 | 0 | 0 | 112.8 | A228 S252 Y253 L254 | A228-L250 HydrophobicContact CB-CD1 3.81Å; A228-L250 HydrophobicContact CB-CD2 3.34Å; A228-L250 HydrophobicContact CB-CG 3.64Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; L250-Y253 HydrophobicContact CB-CD2 3.73Å; L250-Y253 HydrophobicContact CB-CE2 4.09Å; L250-Y253 HydrophobicContact CB-CG 4.07Å; L250-Y253 HydrophobicContact CD1-CD2 4.14Å; L250-Y253 HydrophobicContact CD1-CE2 3.61Å; L250-Y253 HydrophobicContact CG-CD2 4.36Å; L250-Y253 HydrophobicContact CG-CE2 4.25Å; L250-Y253 PolarHBondContact O-N 3.23Å; L250-L254 PolarHBondContact O-N 3.47Å |
| 251 | K | 82.7 | Confident | 78.7 | Confident | 138 Ų | 138 | 72.3 Ų | 72.3 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.8 | -38.2 | 174 | -172 | 178.7 | 178.4 | -177.7 | 0 | 112 | F239 Y253 L254 S255 | F239-K251 HydrophobicContact CD1-CB 3.95Å; F239-K251 HydrophobicContact CD1-CG 4.24Å; F239-K251 HydrophobicContact CD2-CB 4.24Å; F239-K251 HydrophobicContact CE1-CB 3.8Å; F239-K251 HydrophobicContact CE1-CD 4.46Å; F239-K251 HydrophobicContact CE1-CG 4.23Å; F239-K251 HydrophobicContact CE2-CB 4.09Å; F239-K251 HydrophobicContact CG-CB 4.15Å; F239-K251 HydrophobicContact CZ-CB 3.87Å; K251-Y253 VanDerWaalsContact C-N 3.26Å; K251-Y253 PolarHBondContact O-N 3.39Å; K251-L254 WeakPolarHBondContact O-CB 3.29Å; K251-L254 PolarHBondContact O-N 3.39Å; K251-L254 VanDerWaalsContact O-N 3.17Å; K251-S255 PolarHBondContact O-N 2.98Å; K251-S255 PolarHBondContact O-OG 2.99Å |
| 252 | S | 82.9 | Confident | 78.2 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -33 | 178 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | L250 K256 | L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3Å; S252-K256 WeakPolarHBondContact O-CG 3.49Å; S252-K256 PolarHBondContact O-N 2.92Å; S252-K256 VanDerWaalsContact O-N 3.1Å |
| 253 | Y | 81.1 | Confident | 77.6 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 35% | 0.345 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74 | -39.1 | 174.3 | -61.7 | -25.1 | 0 | 0 | 0 | 111.9 | W116 L250 K251 K256 H257 | W116-Y253 AromaticContact CH2-CZ 3.97Å; W116-Y253 WeakPolarHBondContact CH2-OH 3.47Å; W116-Y253 HydrophobicContact CZ3-CE1 4.43Å; W116-Y253 HydrophobicContact CZ3-CE2 4.43Å; W116-Y253 AromaticContact CZ3-CZ 3.93Å; L250-Y253 HydrophobicContact CB-CD2 3.73Å; L250-Y253 HydrophobicContact CB-CE2 4.09Å; L250-Y253 HydrophobicContact CB-CG 4.07Å; L250-Y253 HydrophobicContact CD1-CD2 4.14Å; L250-Y253 HydrophobicContact CD1-CE2 3.61Å; L250-Y253 HydrophobicContact CG-CD2 4.36Å; L250-Y253 HydrophobicContact CG-CE2 4.25Å; L250-Y253 PolarHBondContact O-N 3.23Å; K251-Y253 VanDerWaalsContact C-N 3.26Å; K251-Y253 PolarHBondContact O-N 3.39Å; Y253-K256 PolarHBondContact O-N 3.15Å; Y253-H257 VanDerWaalsContact O-CB 3.27Å; Y253-H257 WeakPolarHBondContact O-CB 3.36Å; Y253-H257 PolarHBondContact O-N 3.15Å |
| 254 | L | 83.9 | Confident | 76.8 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 170.6 | 173.5 | 67 | 0 | 0 | 0 | 111.1 | F239 C241 F248 L250 K251 K256 H257 E258 | F239-L254 HydrophobicContact CB-CB 3.91Å; F239-L254 HydrophobicContact CB-CD2 3.86Å; F239-L254 HydrophobicContact CB-CG 4.44Å; C241-L254 VanDerWaalsContact CA-CD1 3.41Å; C241-L254 HydrophobicContact CB-CD1 3.63Å; F248-L254 HydrophobicContact CB-CB 4.47Å; F248-L254 HydrophobicContact CD2-CB 3.99Å; F248-L254 HydrophobicContact CD2-CD1 3.81Å; F248-L254 HydrophobicContact CE2-CD1 3.94Å; F248-L254 HydrophobicContact CG-CB 4.36Å; L250-L254 PolarHBondContact O-N 3.47Å; K251-L254 WeakPolarHBondContact O-CB 3.29Å; K251-L254 PolarHBondContact O-N 3.39Å; K251-L254 VanDerWaalsContact O-N 3.17Å; L254-K256 PolarHBondContact O-N 3.11Å; L254-H257 WeakPolarHBondContact O-CB 3.48Å; L254-H257 PolarHBondContact O-N 3.38Å; L254-H257 VanDerWaalsContact O-N 3.15Å; L254-E258 HydrophobicContact CD1-CG 4.03Å; L254-E258 HydrophobicContact CG-CG 4.39Å; L254-E258 WeakPolarHBondContact O-CG 3.37Å; L254-E258 PolarHBondContact O-N 3.29Å |
| 255 | S | 84.2 | Confident | 75.3 | Confident | 42 Ų | 42 | 79.8 Ų | 79.8 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | K251 H257 E258 E259 | K251-S255 PolarHBondContact O-N 2.98Å; K251-S255 PolarHBondContact O-OG 2.99Å; S255-H257 VanDerWaalsContact C-N 3.3Å; S255-H257 PolarHBondContact O-N 3.19Å; S255-E258 PolarHBondContact O-N 2.96Å; S255-E258 VanDerWaalsContact O-N 3.16Å; S255-E259 WeakPolarHBondContact O-CB 3.09Å; S255-E259 VanDerWaalsContact O-CG 3.31Å; S255-E259 WeakPolarHBondContact O-CG 2.98Å; S255-E259 PolarHBondContact O-N 3.07Å |
| 256 | K | 82.4 | Confident | 74.3 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 59% | 0.587 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 175.1 | -74.3 | -178.2 | 178.6 | -169.7 | 0 | 112.8 | S252 Y253 L254 E258 E259 S260 | S252-K256 WeakPolarHBondContact O-CG 3.49Å; S252-K256 PolarHBondContact O-N 2.92Å; S252-K256 VanDerWaalsContact O-N 3.1Å; Y253-K256 PolarHBondContact O-N 3.15Å; L254-K256 PolarHBondContact O-N 3.11Å; K256-E258 VanDerWaalsContact C-N 3.35Å; K256-E259 PolarHBondContact O-N 2.65Å; K256-S260 VanDerWaalsContact O-CB 3.29Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.11Å; K256-S260 PolarHBondContact O-OG 3.06Å |
| 257 | H | 82.7 | Confident | 73.2 | Confident | 26 Ų | 26 | 85.9 Ų | 85.9 | 12% | 0.12 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 176.3 | 171 | 77 | 0 | 0 | 0 | 112.4 | C244 F248 Y253 L254 S255 S260 C262 | C244-H257 PolarHBondContact SG-NE2 2.92Å; F248-H257 HydrophobicContact CE1-CB 3.98Å; F248-H257 HydrophobicContact CE2-CB 4Å; F248-H257 AromaticContact CE2-CD2 3.67Å; F248-H257 AromaticContact CE2-CG 3.78Å; F248-H257 HydrophobicContact CZ-CB 3.45Å; F248-H257 VanDerWaalsContact CZ-CB 3.45Å; F248-H257 AromaticContact CZ-CD2 3.61Å; F248-H257 AromaticContact CZ-CG 3.25Å; F248-H257 AromaticContact CZ-ND1 3.66Å; Y253-H257 VanDerWaalsContact O-CB 3.27Å; Y253-H257 WeakPolarHBondContact O-CB 3.36Å; Y253-H257 PolarHBondContact O-N 3.15Å; L254-H257 WeakPolarHBondContact O-CB 3.48Å; L254-H257 PolarHBondContact O-N 3.38Å; L254-H257 VanDerWaalsContact O-N 3.15Å; S255-H257 VanDerWaalsContact C-N 3.3Å; S255-H257 PolarHBondContact O-N 3.19Å; H257-S260 PolarHBondContact O-OG 3.33Å; H257-C262 PolarHBondContact NE2-SG 3.36Å |
| 258 | E | 82.2 | Confident | 71.8 | Confident | 80 Ų | 80 | 91.8 Ų | 91.8 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 176.1 | -72.2 | -178.6 | 152.9 | 0 | 0 | 111.8 | L254 S255 K256 | L254-E258 HydrophobicContact CD1-CG 4.03Å; L254-E258 HydrophobicContact CG-CG 4.39Å; L254-E258 WeakPolarHBondContact O-CG 3.37Å; L254-E258 PolarHBondContact O-N 3.29Å; S255-E258 PolarHBondContact O-N 2.96Å; S255-E258 VanDerWaalsContact O-N 3.16Å; K256-E258 VanDerWaalsContact C-N 3.35Å |
| 259 | E | 82.6 | Confident | 70.1 | Confident | 154 Ų | 154 | 96.5 Ų | 96.5 | 72% | 0.72 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 174 | -73.3 | 166.1 | -155.6 | 0 | 0 | 112.2 | S255 K256 A261 | S255-E259 WeakPolarHBondContact O-CB 3.09Å; S255-E259 VanDerWaalsContact O-CG 3.31Å; S255-E259 WeakPolarHBondContact O-CG 2.98Å; S255-E259 PolarHBondContact O-N 3.07Å; K256-E259 PolarHBondContact O-N 2.65Å; E259-A261 PolarHBondContact O-N 3.27Å |
| 260 | S | 75.4 | Confident | 69.1 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 23.9 | -173.7 | 75.1 | 0 | 0 | 0 | 0 | 115.1 | K256 H257 | K256-S260 VanDerWaalsContact O-CB 3.29Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.11Å; K256-S260 PolarHBondContact O-OG 3.06Å; H257-S260 PolarHBondContact O-OG 3.33Å |
| 261 | A | 74 | Confident | 68 | Low | 72 Ų | 72 | 102 Ų | 102 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | trans | 57.2 | 94.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E259 Q263 | E259-A261 PolarHBondContact O-N 3.27Å; A261-Q263 PolarHBondContact O-N 2.99Å | ||
| 262 | C | 68.4 | Low | 66.3 | Low | 27 Ų | 27 | 100.7 Ų | 100.7 | 18% | 0.182 | 52% | 0.518 | C | S | . | . | trans | -55.5 | 116.2 | 172.1 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | K243 C244 H257 | K243-C262 HydrophobicContact CB-CB 4.18Å; K243-C262 VanDerWaalsContact CB-SG 3.56Å; K243-C262 HydrophobicContact CD-CB 4.13Å; C244-C262 WeakPolarHBondContact CB-SG 3.31Å; C244-C262 PolarHBondContact SG-SG 3.4Å; H257-C262 PolarHBondContact NE2-SG 3.36Å | ||
| 263 | Q | 65 | Low | 64.7 | Low | 164 Ų | 164 | 109.1 Ų | 109.1 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | trans | -116.9 | 135.1 | 169.5 | -66.8 | -179.9 | -8 | 0 | 0 | 110.8 | A261 | A261-Q263 PolarHBondContact O-N 2.99Š| ||
| 264 | N | 58.1 | Low | 63.5 | Low | 145 Ų | 145 | 110.9 Ų | 110.9 | 78% | 0.775 | 55% | 0.55 | S | S | * | * | trans | 84.3 | 105.1 | 171 | -76.2 | -30.9 | 0 | 0 | 0 | 122.1 | C244 | C244-N264 WeakPolarHBondContact CB-O 3.36Š| ||
| 265 | R | 49.8 | Very low | 61.7 | Low | 216 Ų | 216 | 111.3 Ų | 111.3 | 82% | 0.815 | 55% | 0.552 | S | S | * | * | trans | -35.9 | 141.1 | 162.4 | -84.1 | 171.5 | 158.2 | 165.3 | -5.6 | 119.1 | C244 | C244-R265 CarbonylContact O-C 3.33Š| ||
| 266 | I | 52.9 | Low | 59.9 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 71% | 0.708 | 57% | 0.571 | S | S | * | * | trans | 68.2 | 129 | 159.9 | -8.9 | -174.4 | 0 | 0 | 0 | 114.8 | C244 | C244-I266 PolarHBondContact O-N 3.01Š| ||
| 267 | I | 52.5 | Low | 58.5 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | cis | -166.5 | 155.6 | 45.6 | -76.1 | 171.3 | 0 | 0 | 0 | 111.7 | ||||
| 268 | N | 45.1 | Very low | 56.9 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | trans | 66.8 | 105.2 | 155.1 | -71.2 | -22.2 | 0 | 0 | 0 | 122.9 | ||||
| 269 | M | 38.5 | Very low | 55.1 | Low | 111 Ų | 111 | 117.5 Ų | 117.5 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | trans | -90.5 | 90.4 | 159.1 | -60.6 | -170.3 | -164.4 | 0 | 0 | 110.7 | S240 | S240-M269 VanDerWaalsContact CB-CE 3.41Å; S240-M269 WeakPolarHBondContact OG-CE 3.31Å; S240-M269 WeakPolarHBondContact OG-CG 3.36Å; S240-M269 PolarHBondContact OG-SD 3.47Å | ||
| 270 | V | 50.5 | Low | 53.1 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | trans | -139.3 | 115.4 | 163.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 271 | S | 52.9 | Low | 52 | Low | 49 Ų | 49 | 122.6 Ų | 122.6 | 34% | 0.343 | 61% | 0.608 | S | S | . | * | trans | 142.6 | 103.2 | 140.8 | -162.3 | 0 | 0 | 0 | 0 | 111.5 | L236 | L236-S271 WeakPolarHBondContact CB-O 3.28Å; L236-S271 WeakPolarHBondContact CD2-O 3.47Å; L236-S271 WeakPolarHBondContact CD2-OG 3.27Å | ||
| 272 | Y | 47.8 | Very low | 50.8 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 44% | 0.435 | 61% | 0.609 | S | S | . | * | trans | -127.1 | -5.3 | 171.8 | -65.9 | -114.2 | 0 | 0 | 0 | 111.9 | P238 K274 | P238-Y272 VanDerWaalsContact C-CZ 3.48Å; P238-Y272 WeakPolarHBondContact CA-OH 3.49Å; P238-Y272 HydrophobicContact CB-CD1 3.81Å; P238-Y272 HydrophobicContact CB-CE1 3.27Å; P238-Y272 HydrophobicContact CG-CD1 4.36Å; P238-Y272 HydrophobicContact CG-CE1 4.23Å; P238-Y272 VanDerWaalsContact O-CE1 3.25Å; P238-Y272 WeakPolarHBondContact O-CE1 3.38Å; P238-Y272 VanDerWaalsContact O-CZ 3.23Å; P238-Y272 PolarHBondContact O-OH 2.99Å; Y272-K274 VanDerWaalsContact C-N 3.26Å; Y272-K274 PolarHBondContact O-N 2.72Å | ||
| 273 | R | 48.9 | Very low | 49.8 | Very low | 241 Ų | 241 | 130.7 Ų | 130.7 | 91% | 0.909 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -2.1 | -168.8 | -59 | -165.4 | -165.7 | -171.1 | 5.2 | 114.9 | ||
| 274 | K | 55 | Low | 49 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 54% | 0.543 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.6 | -0.7 | -173.3 | -135.1 | 165.6 | -173.7 | 174.9 | 0 | 114.9 | L236 Y272 | L236-K274 HydrophobicContact CD1-CB 4.17Å; Y272-K274 VanDerWaalsContact C-N 3.26Å; Y272-K274 PolarHBondContact O-N 2.72Å |
| 275 | I | 45.9 | Very low | 48.4 | Very low | 29 Ų | 29 | 127.7 Ų | 127.7 | 15% | 0.149 | 62% | 0.615 | C | S | . | * | S | Bend | trans | -85.4 | -33.4 | -173.9 | -62.9 | 175.1 | 0 | 0 | 0 | 112 | Q231 L236 E277 L279 | Q231-I275 HydrophobicContact CG-CD1 4Å; L236-I275 HydrophobicContact CD1-CD1 4.02Å; L236-I275 HydrophobicContact CD1-CG1 3.65Å; I275-E277 VanDerWaalsContact C-N 3.28Å; I275-E277 PolarHBondContact O-N 3.41Å; I275-L279 HydrophobicContact CG2-CD1 3.88Å |
| 276 | D | 47.5 | Very low | 48.3 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 69% | 0.69 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -74.2 | -21.8 | 179.3 | -66.6 | -30.2 | 0 | 0 | 0 | 112.4 | ||
| 277 | E | 52.2 | Low | 48 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -81.1 | -13.4 | 179.7 | -153.4 | 176.4 | -172.1 | 0 | 0 | 113.6 | I275 | I275-E277 VanDerWaalsContact C-N 3.28Å; I275-E277 PolarHBondContact O-N 3.41Å |
| 278 | L | 48.9 | Very low | 47.6 | Very low | 79 Ų | 79 | 120.8 Ų | 120.8 | 41% | 0.414 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -112.9 | 7.8 | -177.4 | -64.7 | 174 | 0 | 0 | 0 | 113.7 | ||
| 279 | L | 46.3 | Very low | 47.8 | Very low | 61 Ų | 61 | 119.3 Ų | 119.3 | 32% | 0.319 | 58% | 0.581 | S | S | . | * | trans | -120.5 | 11.5 | -176.8 | -74 | 175 | 0 | 0 | 0 | 114.1 | I275 | I275-L279 HydrophobicContact CG2-CD1 3.88Š| ||
| 280 | L | 39.5 | Very low | 48.7 | Very low | 223 Ų | 223 | 120 Ų | 120 | 100% | 1.168 | 58% | 0.584 | S | S | * | * | trans | -117.7 | 0 | 169.2 | -80 | 155.6 | 0 | 0 | 0 | 109 |
Retrieved 280 of 280 residues in 140.4 ms
(Link to these results)