| 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 | 46.9 | Very low | 33.2 | Very low | 246 Ų | 246 | 169.9 Ų | 169.9 | 100% | 1.212 | 87% | 0.873 | S | S | * | * | 0 | 105.4 | 0 | -73.6 | 172.8 | 166 | 0 | 0 | 108.9 | |||||
| 2 | T | 37.4 | Very low | 32.6 | Very low | 138 Ų | 138 | 167.4 Ų | 167.4 | 85% | 0.847 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 128 | 179 | 33.4 | 0 | 0 | 0 | 0 | 110.8 | K4 | T2-K4 PolarHBondContact O-N 2.88Š|
| 3 | P | 39 | Very low | 32.2 | Very low | 124 Ų | 124 | 164 Ų | 164 | 81% | 0.805 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 122.8 | -178.8 | 28.7 | -32.9 | 0 | 0 | 0 | 110.7 | ||
| 4 | K | 34.9 | Very low | 32 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.6 | 174.2 | -72.4 | -177.8 | 177.9 | 177.3 | 0 | 110.2 | T2 K6 | T2-K4 PolarHBondContact O-N 2.88Å; K4-K6 PolarHBondContact O-N 3.37Å |
| 5 | P | 34.9 | Very low | 32.1 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 136.2 | -175.4 | 26.8 | -34.3 | 0 | 0 | 0 | 111.4 | R7 | P5-R7 PolarHBondContact O-N 3.35Å; P5-R7 VanDerWaalsContact O-N 3.1Å |
| 6 | K | 34.7 | Very low | 33 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -59.1 | 114.3 | 173.9 | -71.6 | -179.7 | 177.1 | 177.7 | 0 | 109.3 | K4 K8 | K4-K6 PolarHBondContact O-N 3.37Å; K6-K8 PolarHBondContact O-N 2.89Å | ||
| 7 | R | 30.3 | Very low | 34.2 | Very low | 249 Ų | 249 | 147.8 Ų | 147.8 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | trans | -57.2 | 110.1 | 167.8 | -90.5 | -179.2 | 162.7 | 178.1 | -5.7 | 108.6 | P5 S9 | P5-R7 PolarHBondContact O-N 3.35Å; P5-R7 VanDerWaalsContact O-N 3.1Å; R7-S9 PolarHBondContact O-N 3.31Å; R7-S9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | K | 27.9 | Very low | 35.8 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 113.7 | 167.1 | -74.1 | -178.1 | 176.1 | 178.7 | 0 | 108 | K6 G10 | K6-K8 PolarHBondContact O-N 2.89Å; K8-G10 PolarHBondContact O-N 3.37Å | ||
| 9 | S | 28.5 | Very low | 37.3 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -67 | 100.8 | 168.9 | 37.1 | 0 | 0 | 0 | 0 | 108.7 | R7 K11 | R7-S9 PolarHBondContact O-N 3.31Å; R7-S9 VanDerWaalsContact O-N 3.14Å; S9-K11 PolarHBondContact O-N 2.83Å | ||
| 10 | G | 25.9 | Very low | 39.1 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | -62 | 118.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K8 L12 | K8-G10 PolarHBondContact O-N 3.37Å; G10-L12 PolarHBondContact O-N 3.11Å; G10-L12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | K | 25.1 | Very low | 40.9 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -57.7 | 113.7 | 168.6 | -77.9 | -177.9 | 173.6 | -179.3 | 0 | 108.3 | S9 S13 | S9-K11 PolarHBondContact O-N 2.83Å; K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 3.49Å | ||
| 12 | L | 25.9 | Very low | 42.4 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -74.9 | 82 | 173.9 | -80.7 | 163.1 | 0 | 0 | 0 | 109.6 | G10 G14 | G10-L12 PolarHBondContact O-N 3.11Å; G10-L12 VanDerWaalsContact O-N 3.08Å; L12-G14 PolarHBondContact O-N 2.87Å | ||
| 13 | S | 26.8 | Very low | 44.4 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -73.3 | 71.9 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | K11 | K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 3.49Å | ||
| 14 | G | 29.1 | Very low | 46.5 | Very low | 41 Ų | 41 | 129.9 Ų | 129.9 | 42% | 0.423 | 69% | 0.693 | S | S | . | * | trans | -119.4 | 3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L12 S16 R110 | L12-G14 PolarHBondContact O-N 2.87Å; G14-S16 PolarHBondContact O-N 2.95Å; G14-R110 PolarHBondContact O-NH1 3.23Å; G14-R110 PolarHBondContact O-NH2 3.07Å | ||
| 15 | G | 34.4 | Very low | 49.1 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -61.4 | 134.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K17 | G15-K17 PolarHBondContact O-N 3.03Š|
| 16 | S | 47 | Very low | 51.9 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -58.7 | 127 | 166.7 | -160.6 | 0 | 0 | 0 | 0 | 107.6 | G14 T18 | G14-S16 PolarHBondContact O-N 2.95Å; S16-T18 VanDerWaalsContact C-N 3.32Å; S16-T18 PolarHBondContact O-N 2.86Å | ||
| 17 | K | 52.4 | Low | 54.5 | Low | 194 Ų | 194 | 112.8 Ų | 112.8 | 84% | 0.843 | 61% | 0.609 | S | S | * | * | trans | -70.7 | 95.3 | 173 | -75.2 | -172 | 177.9 | -176 | 0 | 107.2 | G15 L19 | G15-K17 PolarHBondContact O-N 3.03Å; K17-L19 PolarHBondContact O-N 3.03Å | ||
| 18 | T | 62.5 | Low | 57.3 | Low | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 119.7 | 162 | 23.4 | 0 | 0 | 0 | 0 | 107.7 | S16 N252 | S16-T18 VanDerWaalsContact C-N 3.32Å; S16-T18 PolarHBondContact O-N 2.86Å; T18-N252 HydrophobicContact CG2-CB 3.81Å |
| 19 | L | 64.7 | Low | 60.3 | Low | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 135.2 | 172 | -96.3 | 108.2 | 0 | 0 | 0 | 108.6 | K17 L21 N252 | K17-L19 PolarHBondContact O-N 3.03Å; L19-L21 PolarHBondContact O-N 3.37Å; L19-L21 VanDerWaalsContact O-N 3.13Å; L19-N252 PolarHBondContact N-O 3.33Å |
| 20 | P | 72.9 | Confident | 63.3 | Low | 113 Ų | 113 | 94.5 Ų | 94.5 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -62 | 118.2 | 168.8 | 26.8 | -32 | 0 | 0 | 0 | 107.9 | ||
| 21 | L | 76.8 | Confident | 66.3 | Low | 13 Ų | 13 | 93.2 Ų | 93.2 | 7% | 0.068 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 152.9 | 177.5 | -61.2 | 178.7 | 0 | 0 | 0 | 110.1 | L19 P27 V28 L291 L294 L298 | L19-L21 PolarHBondContact O-N 3.37Å; L19-L21 VanDerWaalsContact O-N 3.13Å; L21-P27 HydrophobicContact CD2-CG 4.21Å; L21-V28 HydrophobicContact CB-CG2 4.39Å; L21-L291 HydrophobicContact CD1-CD2 3.24Å; L21-L294 HydrophobicContact CD1-CD1 3.92Å; L21-L298 WeakPolarHBondContact O-CD1 3.29Å |
| 22 | T | 80.3 | Confident | 69.3 | Low | 72 Ų | 72 | 87.4 Ų | 87.4 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | trans | -135.2 | 169.3 | 176.1 | 64.2 | 0 | 0 | 0 | 0 | 108.4 | E24 S25 V28 | T22-E24 PolarHBondContact O-N 2.72Å; T22-E24 VanDerWaalsContact O-N 3.11Å; T22-E24 PolarHBondContact OG1-N 2.8Å; T22-S25 PolarHBondContact N-OG 3.03Å; T22-S25 WeakPolarHBondContact O-CB 3.33Å; T22-S25 PolarHBondContact O-N 3.48Å; T22-S25 PolarHBondContact O-OG 3.49Å; T22-S25 PolarHBondContact OG1-N 3.23Å; T22-S25 PolarHBondContact OG1-OG 3.34Å; T22-V28 WeakPolarHBondContact O-CG2 3.44Å | ||
| 23 | R | 78.6 | Confident | 72.3 | Confident | 189 Ų | 189 | 86.3 Ų | 86.3 | 71% | 0.713 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.1 | 172.2 | -71.8 | -170.5 | 178.1 | -172.5 | -1.3 | 113.7 | S25 R29 | R23-S25 VanDerWaalsContact C-N 3.33Å; R23-R29 WeakPolarHBondContact O-CG 3.43Å |
| 24 | E | 83.7 | Confident | 75.3 | Confident | 143 Ų | 143 | 81.8 Ų | 81.8 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12.8 | 176.6 | -56.2 | -167.7 | 149 | 0 | 0 | 113.7 | T22 K26 | T22-E24 PolarHBondContact O-N 2.72Å; T22-E24 VanDerWaalsContact O-N 3.11Å; T22-E24 PolarHBondContact OG1-N 2.8Å; E24-K26 PolarHBondContact O-N 3.25Å |
| 25 | S | 89.3 | Confident | 78.1 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 17% | 0.168 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -66.9 | 133.3 | -178.8 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | T22 R23 P27 V28 R29 | T22-S25 PolarHBondContact N-OG 3.03Å; T22-S25 WeakPolarHBondContact O-CB 3.33Å; T22-S25 PolarHBondContact O-N 3.48Å; T22-S25 PolarHBondContact O-OG 3.49Å; T22-S25 PolarHBondContact OG1-N 3.23Å; T22-S25 PolarHBondContact OG1-OG 3.34Å; R23-S25 VanDerWaalsContact C-N 3.33Å; S25-P27 VanDerWaalsContact C-N 3.31Å; S25-P27 VanDerWaalsContact O-N 3.14Å; S25-V28 WeakPolarHBondContact O-CB 3.49Å; S25-V28 PolarHBondContact O-N 2.97Å; S25-R29 PolarHBondContact O-N 3.47Å |
| 26 | K | 92.8 | Very high | 80.7 | Confident | 142 Ų | 142 | 84.8 Ų | 84.8 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -51.8 | -37.4 | -175 | -56.4 | -178.8 | 179.2 | -179.4 | 0 | 114.8 | E24 V28 W30 V256 | E24-K26 PolarHBondContact O-N 3.25Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.47Å; K26-W30 WeakPolarHBondContact O-CB 3.34Å; K26-W30 PolarHBondContact O-N 3.2Å; K26-V256 HydrophobicContact CB-CG2 3.82Å |
| 27 | P | 90.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66 | -32.5 | 175.4 | -19.9 | 32.7 | 0 | 0 | 0 | 113.7 | L21 S25 I31 V251 L291 | L21-P27 HydrophobicContact CD2-CG 4.21Å; S25-P27 VanDerWaalsContact C-N 3.31Å; S25-P27 VanDerWaalsContact O-N 3.14Å; P27-I31 PolarHBondContact O-N 3.08Å; P27-V251 HydrophobicContact CB-CG1 4.11Å; P27-V251 HydrophobicContact CB-CG2 4.4Å; P27-V251 HydrophobicContact CG-CG1 4.34Å; P27-L291 HydrophobicContact CB-CD1 3.78Å; P27-L291 HydrophobicContact CB-CD2 3.79Å; P27-L291 HydrophobicContact CB-CG 4.47Å |
| 28 | V | 88.5 | Confident | 84.5 | Confident | 22 Ų | 22 | 82 Ų | 82 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -73.2 | -49.5 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | L21 T22 S25 K26 W30 I31 E32 | L21-V28 HydrophobicContact CB-CG2 4.39Å; T22-V28 WeakPolarHBondContact O-CG2 3.44Å; S25-V28 WeakPolarHBondContact O-CB 3.49Å; S25-V28 PolarHBondContact O-N 2.97Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.47Å; V28-W30 PolarHBondContact O-N 3.46Å; V28-I31 WeakPolarHBondContact O-CB 3.47Å; V28-I31 PolarHBondContact O-N 3.29Å; V28-E32 HydrophobicContact CG1-CG 4.5Å; V28-E32 PolarHBondContact O-N 3.16Å |
| 29 | R | 90.7 | Very high | 85.9 | Confident | 125 Ų | 125 | 82.3 Ų | 82.3 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -31.8 | 174 | -67.7 | -170.9 | 177.7 | 175.9 | 4.4 | 113.3 | R23 S25 E32 N33 | R23-R29 WeakPolarHBondContact O-CG 3.43Å; S25-R29 PolarHBondContact O-N 3.47Å; R29-E32 PolarHBondContact O-N 3.03Å; R29-N33 WeakPolarHBondContact O-CB 3.43Å; R29-N33 PolarHBondContact O-N 3.43Å; R29-N33 PolarHBondContact O-ND2 3.02Å; R29-N33 PolarHBondContact O-OD1 2.92Å |
| 30 | W | 91.8 | Very high | 87.3 | Confident | 37 Ų | 37 | 81.6 Ų | 81.6 | 14% | 0.14 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 173.8 | 172.6 | 75.6 | 0 | 0 | 0 | 112.2 | K26 V28 M34 V256 P257 V259 Y284 L287 | K26-W30 WeakPolarHBondContact O-CB 3.34Å; K26-W30 PolarHBondContact O-N 3.2Å; V28-W30 PolarHBondContact O-N 3.46Å; W30-M34 HydrophobicContact CD2-CE 4.22Å; W30-M34 HydrophobicContact CD2-SD 4.49Å; W30-M34 HydrophobicContact CE3-CE 4.02Å; W30-M34 HydrophobicContact CH2-CE 3.62Å; W30-M34 HydrophobicContact CH2-SD 4.09Å; W30-M34 HydrophobicContact CZ2-CE 3.85Å; W30-M34 HydrophobicContact CZ2-SD 3.72Å; W30-M34 HydrophobicContact CZ3-CE 3.7Å; W30-M34 WeakPolarHBondContact O-CG 3.43Å; W30-M34 PolarHBondContact O-N 3.45Å; W30-V256 HydrophobicContact CB-CG1 4.2Å; W30-V256 HydrophobicContact CG-CG1 3.86Å; W30-P257 HydrophobicContact CD2-CG 3.82Å; W30-P257 HydrophobicContact CE3-CG 3.58Å; W30-P257 HydrophobicContact CH2-CG 3.62Å; W30-P257 HydrophobicContact CZ2-CG 3.81Å; W30-P257 HydrophobicContact CZ3-CG 3.5Å; W30-V259 HydrophobicContact CZ2-CG2 4.31Å; W30-Y284 AromaticContact CH2-CD1 3.88Å; W30-Y284 HydrophobicContact CH2-CD1 3.88Å; W30-Y284 HydrophobicContact CH2-CE1 4.28Å; W30-Y284 AromaticContact CZ2-CD1 3.64Å; W30-Y284 HydrophobicContact CZ2-CD1 3.64Å; W30-Y284 AromaticContact CZ2-CE1 3.57Å; W30-Y284 HydrophobicContact CZ2-CE1 3.57Å; W30-L287 HydrophobicContact CH2-CB 4.14Å; W30-L287 HydrophobicContact CH2-CD1 3.97Å; W30-L287 HydrophobicContact CZ3-CB 4.03Å; W30-L287 HydrophobicContact CZ3-CD1 4.48Å |
| 31 | I | 88.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 21% | 0.205 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.8 | -45 | 173.7 | -64.5 | -178.5 | 0 | 0 | 0 | 111.5 | P27 V28 N33 M34 A35 T288 L291 | P27-I31 PolarHBondContact O-N 3.08Å; V28-I31 WeakPolarHBondContact O-CB 3.47Å; V28-I31 PolarHBondContact O-N 3.29Å; I31-N33 VanDerWaalsContact C-N 3.27Å; I31-N33 PolarHBondContact O-N 3.05Å; I31-M34 HydrophobicContact CG1-CE 4.31Å; I31-M34 WeakPolarHBondContact O-CB 3.45Å; I31-M34 PolarHBondContact O-N 2.9Å; I31-A35 PolarHBondContact O-N 2.92Å; I31-T288 HydrophobicContact CD1-CG2 4.06Å; I31-T288 HydrophobicContact CG1-CG2 4.08Å; I31-T288 HydrophobicContact CG2-CG2 4.37Å; I31-L291 HydrophobicContact CD1-CB 3.3Å; I31-L291 HydrophobicContact CD1-CD1 3.49Å; I31-L291 VanDerWaalsContact CD1-CD1 3.49Å; I31-L291 HydrophobicContact CD1-CG 3.98Å; I31-L291 HydrophobicContact CG1-CD1 4.16Å |
| 32 | E | 87.8 | Confident | 89.1 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55 | -46.3 | 178.1 | -68.2 | 172.2 | 155.8 | 0 | 0 | 110.3 | V28 R29 M34 A35 C36 | V28-E32 HydrophobicContact CG1-CG 4.5Å; V28-E32 PolarHBondContact O-N 3.16Å; R29-E32 PolarHBondContact O-N 3.03Å; E32-M34 PolarHBondContact O-N 3.32Å; E32-A35 PolarHBondContact O-N 3.16Å; E32-A35 VanDerWaalsContact O-N 3.12Å; E32-C36 PolarHBondContact O-N 3.26Å; E32-C36 PolarHBondContact O-SG 2.91Å |
| 33 | N | 89 | Confident | 89.9 | Confident | 116 Ų | 116 | 84.5 Ų | 84.5 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.6 | -39.8 | 175.2 | -69.9 | -14.4 | 0 | 0 | 0 | 113.4 | R29 I31 A35 C36 | R29-N33 WeakPolarHBondContact O-CB 3.43Å; R29-N33 PolarHBondContact O-N 3.43Å; R29-N33 PolarHBondContact O-ND2 3.02Å; R29-N33 PolarHBondContact O-OD1 2.92Å; I31-N33 VanDerWaalsContact C-N 3.27Å; I31-N33 PolarHBondContact O-N 3.05Å; N33-A35 VanDerWaalsContact C-N 3.31Å; N33-C36 PolarHBondContact O-N 3.02Å |
| 34 | M | 89.9 | Confident | 90.7 | Very high | 28 Ų | 28 | 81.1 Ų | 81.1 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.9 | -31 | 175.2 | -73.3 | -165.3 | -48.3 | 0 | 0 | 112.8 | W30 I31 E32 T41 Y284 T288 | W30-M34 HydrophobicContact CD2-CE 4.22Å; W30-M34 HydrophobicContact CD2-SD 4.49Å; W30-M34 HydrophobicContact CE3-CE 4.02Å; W30-M34 HydrophobicContact CH2-CE 3.62Å; W30-M34 HydrophobicContact CH2-SD 4.09Å; W30-M34 HydrophobicContact CZ2-CE 3.85Å; W30-M34 HydrophobicContact CZ2-SD 3.72Å; W30-M34 HydrophobicContact CZ3-CE 3.7Å; W30-M34 WeakPolarHBondContact O-CG 3.43Å; W30-M34 PolarHBondContact O-N 3.45Å; I31-M34 HydrophobicContact CG1-CE 4.31Å; I31-M34 WeakPolarHBondContact O-CB 3.45Å; I31-M34 PolarHBondContact O-N 2.9Å; E32-M34 PolarHBondContact O-N 3.32Å; M34-T41 HydrophobicContact CB-CG2 3.92Å; M34-T41 HydrophobicContact CG-CG2 3.84Å; M34-T41 PolarHBondContact O-OG1 3.43Å; M34-T41 HydrophobicContact SD-CG2 4.1Å; M34-Y284 HydrophobicContact CE-CD1 4.36Å; M34-Y284 HydrophobicContact SD-CD1 3.65Å; M34-Y284 HydrophobicContact SD-CE1 3.94Å; M34-T288 HydrophobicContact CE-CG2 3.59Å |
| 35 | A | 87.2 | Confident | 91.3 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 51% | 0.512 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78 | -26.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I31 E32 N33 | I31-A35 PolarHBondContact O-N 2.92Å; E32-A35 PolarHBondContact O-N 3.16Å; E32-A35 VanDerWaalsContact O-N 3.12Å; N33-A35 VanDerWaalsContact C-N 3.31Å |
| 36 | C | 89.7 | Confident | 91.6 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 75% | 0.75 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 178.7 | -72.4 | 0 | 0 | 0 | 0 | 113.7 | E32 N33 | E32-C36 PolarHBondContact O-N 3.26Å; E32-C36 PolarHBondContact O-SG 2.91Å; N33-C36 PolarHBondContact O-N 3.02Å |
| 37 | D | 89.6 | Confident | 91.9 | Very high | 84 Ų | 84 | 71.9 Ų | 71.9 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 92.4 | 170.1 | -169.7 | -23.5 | 0 | 0 | 0 | 110.1 | V39 D40 T41 | D37-V39 VanDerWaalsContact C-N 3.28Å; D37-V39 PolarHBondContact O-N 3.37Å; D37-V39 PolarHBondContact OD1-N 3.38Å; D37-D40 HydrophobicContact CB-CB 4.28Å; D37-D40 PolarHBondContact OD1-N 3.23Å; D37-T41 WeakPolarHBondContact O-CB 3.19Å; D37-T41 PolarHBondContact O-N 3.44Å; D37-T41 PolarHBondContact O-OG1 3.23Å |
| 38 | M | 89.1 | Confident | 92.2 | Very high | 129 Ų | 129 | 72.5 Ų | 72.5 | 64% | 0.635 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.6 | -28.3 | 178.2 | -64.6 | -175.6 | -72.2 | 0 | 0 | 112.7 | L42 | M38-L42 WeakPolarHBondContact O-CB 3.32Å; M38-L42 VanDerWaalsContact O-CG 3.24Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 3.06Å |
| 39 | V | 92.2 | Very high | 92.6 | Very high | 93 Ų | 93 | 72.6 Ų | 72.6 | 56% | 0.564 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -77 | -46 | -175.9 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | D37 L42 K43 | D37-V39 VanDerWaalsContact C-N 3.28Å; D37-V39 PolarHBondContact O-N 3.37Å; D37-V39 PolarHBondContact OD1-N 3.38Å; V39-L42 PolarHBondContact O-N 3.44Å; V39-K43 WeakPolarHBondContact O-CG 3.49Å; V39-K43 PolarHBondContact O-N 2.84Å; V39-K43 VanDerWaalsContact O-N 3.11Å |
| 40 | D | 94.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 173.6 | -165.2 | 66.3 | 0 | 0 | 0 | 111.5 | D37 L42 K43 K44 | D37-D40 HydrophobicContact CB-CB 4.28Å; D37-D40 PolarHBondContact OD1-N 3.23Å; D40-L42 PolarHBondContact O-N 2.6Å; D40-K43 WeakPolarHBondContact O-CB 3.45Å; D40-K43 PolarHBondContact O-N 3.44Å; D40-K43 VanDerWaalsContact O-N 3.16Å; D40-K44 WeakPolarHBondContact O-CB 3.41Å; D40-K44 PolarHBondContact O-N 3.38Å |
| 41 | T | 93.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 77.6 Ų | 77.6 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | M34 D37 K44 I45 | M34-T41 HydrophobicContact CB-CG2 3.92Å; M34-T41 HydrophobicContact CG-CG2 3.84Å; M34-T41 PolarHBondContact O-OG1 3.43Å; M34-T41 HydrophobicContact SD-CG2 4.1Å; D37-T41 WeakPolarHBondContact O-CB 3.19Å; D37-T41 PolarHBondContact O-N 3.44Å; D37-T41 PolarHBondContact O-OG1 3.23Å; T41-K44 PolarHBondContact O-N 2.61Å; T41-I45 HydrophobicContact CG2-CD1 3.77Å; T41-I45 HydrophobicContact CG2-CG1 4.41Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.24Å; T41-I45 PolarHBondContact O-N 2.91Å |
| 42 | L | 94.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 80.8 Ų | 80.8 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 177.7 | -74 | 171.3 | 0 | 0 | 0 | 112.6 | M38 V39 D40 S46 L281 | M38-L42 WeakPolarHBondContact O-CB 3.32Å; M38-L42 VanDerWaalsContact O-CG 3.24Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 3.06Å; V39-L42 PolarHBondContact O-N 3.44Å; D40-L42 PolarHBondContact O-N 2.6Å; L42-S46 WeakPolarHBondContact O-CB 3.41Å; L42-S46 PolarHBondContact O-N 3.12Å; L42-L281 HydrophobicContact CD2-CD1 3.98Å |
| 43 | K | 96.2 | Very high | 94.1 | Very high | 135 Ų | 135 | 77.1 Ų | 77.1 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 172.9 | -72.5 | 169.9 | -177.1 | 171.3 | 0 | 111.3 | V39 D40 S46 S47 | V39-K43 WeakPolarHBondContact O-CG 3.49Å; V39-K43 PolarHBondContact O-N 2.84Å; V39-K43 VanDerWaalsContact O-N 3.11Å; D40-K43 WeakPolarHBondContact O-CB 3.45Å; D40-K43 PolarHBondContact O-N 3.44Å; D40-K43 VanDerWaalsContact O-N 3.16Å; K43-S46 WeakPolarHBondContact O-CB 3.22Å; K43-S46 PolarHBondContact O-N 2.94Å; K43-S47 WeakPolarHBondContact O-CB 3.4Å; K43-S47 PolarHBondContact O-N 3.24Å |
| 44 | K | 96.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 73.2 Ų | 73.2 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 177.6 | -177 | -179.6 | 174.4 | -177.5 | 0 | 112 | D40 T41 S46 S47 E48 | D40-K44 WeakPolarHBondContact O-CB 3.41Å; D40-K44 PolarHBondContact O-N 3.38Å; T41-K44 PolarHBondContact O-N 2.61Å; K44-S46 PolarHBondContact O-N 3.06Å; K44-S47 WeakPolarHBondContact O-CB 3.46Å; K44-S47 PolarHBondContact O-N 3.34Å; K44-S47 VanDerWaalsContact O-N 3.08Å; K44-E48 VanDerWaalsContact CE-OE1 3.32Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 HydrophobicContact CG-CG 4.49Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.23Å |
| 45 | I | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 77.4 Ų | 77.4 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 177.3 | -68.5 | 169.6 | 0 | 0 | 0 | 110.9 | T41 Y49 Y280 L281 Y284 | T41-I45 HydrophobicContact CG2-CD1 3.77Å; T41-I45 HydrophobicContact CG2-CG1 4.41Å; T41-I45 VanDerWaalsContact O-CG1 3.27Å; T41-I45 WeakPolarHBondContact O-CG1 3.24Å; T41-I45 PolarHBondContact O-N 2.91Å; I45-Y49 PolarHBondContact O-N 3.18Å; I45-Y280 HydrophobicContact CG2-CD1 3.85Å; I45-Y280 HydrophobicContact CG2-CE1 3.99Å; I45-Y280 WeakPolarHBondContact O-CE1 3.49Å; I45-L281 HydrophobicContact CD1-CD1 4.28Å; I45-L281 HydrophobicContact CG2-CD1 4.17Å; I45-Y284 HydrophobicContact CB-CE2 4.41Å; I45-Y284 HydrophobicContact CD1-CD1 3.72Å; I45-Y284 HydrophobicContact CD1-CD2 3.94Å; I45-Y284 HydrophobicContact CD1-CE1 3.99Å; I45-Y284 HydrophobicContact CD1-CE2 4.2Å; I45-Y284 HydrophobicContact CD1-CG 3.69Å; I45-Y284 HydrophobicContact CG1-CD1 4.18Å; I45-Y284 HydrophobicContact CG1-CD2 4.02Å; I45-Y284 HydrophobicContact CG1-CE1 3.94Å; I45-Y284 HydrophobicContact CG1-CE2 3.78Å; I45-Y284 HydrophobicContact CG1-CG 4.21Å; I45-Y284 HydrophobicContact CG2-CD2 3.93Å; I45-Y284 HydrophobicContact CG2-CE2 3.94Å |
| 46 | S | 96.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 173.3 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | L42 K43 K44 E48 Y49 Y50 | L42-S46 WeakPolarHBondContact O-CB 3.41Å; L42-S46 PolarHBondContact O-N 3.12Å; K43-S46 WeakPolarHBondContact O-CB 3.22Å; K43-S46 PolarHBondContact O-N 2.94Å; K44-S46 PolarHBondContact O-N 3.06Å; S46-E48 PolarHBondContact O-N 3.21Å; S46-Y49 PolarHBondContact O-N 3.41Å; S46-Y50 VanDerWaalsContact O-CD2 3.22Å; S46-Y50 WeakPolarHBondContact O-CD2 3.33Å; S46-Y50 PolarHBondContact O-N 3.38Å; S46-Y50 WeakPolarHBondContact OG-CD2 3.13Å |
| 47 | S | 97.7 | Very high | 95.6 | Very high | 48 Ų | 48 | 74.6 Ų | 74.6 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | K43 K44 Y49 Y50 H51 | K43-S47 WeakPolarHBondContact O-CB 3.4Å; K43-S47 PolarHBondContact O-N 3.24Å; K44-S47 WeakPolarHBondContact O-CB 3.46Å; K44-S47 PolarHBondContact O-N 3.34Å; K44-S47 VanDerWaalsContact O-N 3.08Å; S47-Y49 VanDerWaalsContact C-N 3.3Å; S47-Y49 PolarHBondContact O-N 2.96Å; S47-Y50 PolarHBondContact O-N 3.17Å; S47-H51 WeakPolarHBondContact O-CB 3.47Å; S47-H51 PolarHBondContact O-N 2.92Å |
| 48 | E | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -53.1 | -49.5 | 175.7 | -72.9 | 175.7 | -171.5 | 0 | 0 | 111 | K44 S46 E52 L53 C260 Y280 Y284 | K44-E48 VanDerWaalsContact CE-OE1 3.32Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 HydrophobicContact CG-CG 4.49Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.23Å; S46-E48 PolarHBondContact O-N 3.21Å; E48-E52 WeakPolarHBondContact O-CB 3.27Å; E48-E52 PolarHBondContact O-N 3.21Å; E48-L53 PolarHBondContact O-N 3.04Å; E48-L53 VanDerWaalsContact O-N 3.16Å; E48-C260 HydrophobicContact CB-CB 4.4Å; E48-C260 HydrophobicContact CG-CB 4.26Å; E48-Y280 HydrophobicContact CB-CE1 4.02Å; E48-Y280 PolarHBondContact OE2-OH 2.81Å; E48-Y284 VanDerWaalsContact CD-OH 3.31Å; E48-Y284 PolarHBondContact OE1-OH 2.95Å; E48-Y284 PolarHBondContact OE2-OH 3.05Å |
| 49 | Y | 97.5 | Very high | 96.4 | Very high | 25 Ų | 25 | 73.6 Ų | 73.6 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -64.3 | -44.6 | -176.9 | 178.2 | -97.3 | 0 | 0 | 0 | 113.4 | I45 S46 S47 L53 Q275 G276 P277 Y280 | I45-Y49 PolarHBondContact O-N 3.18Å; S46-Y49 PolarHBondContact O-N 3.41Å; S47-Y49 VanDerWaalsContact C-N 3.3Å; S47-Y49 PolarHBondContact O-N 2.96Å; Y49-L53 HydrophobicContact CD2-CD1 3.75Å; Y49-L53 HydrophobicContact CE2-CD1 4.32Å; Y49-L53 HydrophobicContact CG-CD1 4.49Å; Y49-Q275 PolarHBondContact OH-O 2.97Å; Y49-G276 VanDerWaalsContact OH-CA 3.31Å; Y49-G276 WeakPolarHBondContact OH-CA 3.35Å; Y49-G276 PolarHBondContact OH-N 2.98Å; Y49-P277 HydrophobicContact CD1-CB 3.93Å; Y49-P277 HydrophobicContact CE1-CB 3.94Å; Y49-P277 HydrophobicContact CE1-CG 4.4Å; Y49-P277 HydrophobicContact CG-CB 4.45Å; Y49-Y280 VanDerWaalsContact CD2-CB 3.49Å; Y49-Y280 HydrophobicContact CD2-CD1 4.16Å; Y49-Y280 HydrophobicContact CD2-CD2 4.08Å; Y49-Y280 AromaticContact CD2-CG 3.66Å; Y49-Y280 HydrophobicContact CD2-CG 3.66Å; Y49-Y280 HydrophobicContact CG-CD1 4.34Å; Y49-Y280 HydrophobicContact CG-CG 4.29Å |
| 50 | Y | 97.2 | Very high | 96.6 | Very high | 122 Ų | 122 | 75.2 Ų | 75.2 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | I | π-helix | trans | -86.8 | -20.7 | -174.7 | -72.3 | -67.3 | 0 | 0 | 0 | 114.4 | S46 S47 | S46-Y50 VanDerWaalsContact O-CD2 3.22Å; S46-Y50 WeakPolarHBondContact O-CD2 3.33Å; S46-Y50 PolarHBondContact O-N 3.38Å; S46-Y50 WeakPolarHBondContact OG-CD2 3.13Å; S47-Y50 PolarHBondContact O-N 3.17Å |
| 51 | H | 97.5 | Very high | 96.8 | Very high | 145 Ų | 145 | 75.1 Ų | 75.1 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | I | π-helix | trans | -128.5 | -24.5 | -169.9 | -54.5 | -44.8 | 0 | 0 | 0 | 115.3 | S47 | S47-H51 WeakPolarHBondContact O-CB 3.47Å; S47-H51 PolarHBondContact O-N 2.92Å |
| 52 | E | 97.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 73.8 Ų | 73.8 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -104.7 | -26.4 | -176.1 | -60.9 | 177.2 | -141.5 | 0 | 0 | 114 | E48 | E48-E52 WeakPolarHBondContact O-CB 3.27Å; E48-E52 PolarHBondContact O-N 3.21Å |
| 53 | L | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -71.3 | 143.8 | 177.4 | -66.4 | -176.4 | 0 | 0 | 0 | 111.7 | E48 Y49 N55 V263 Y280 | E48-L53 PolarHBondContact O-N 3.04Å; E48-L53 VanDerWaalsContact O-N 3.16Å; Y49-L53 HydrophobicContact CD2-CD1 3.75Å; Y49-L53 HydrophobicContact CE2-CD1 4.32Å; Y49-L53 HydrophobicContact CG-CD1 4.49Å; L53-N55 PolarHBondContact O-N 3.49Å; L53-V263 HydrophobicContact CD1-CG1 3.77Å; L53-V263 HydrophobicContact CD2-CB 3.91Å; L53-V263 HydrophobicContact CD2-CG1 3.81Å; L53-V263 HydrophobicContact CG-CG1 4.46Å; L53-Y280 HydrophobicContact CD1-CD2 3.98Å; L53-Y280 HydrophobicContact CD1-CE2 3.86Å; L53-Y280 HydrophobicContact CD2-CE2 4.29Å; L53-Y280 HydrophobicContact CG-CE2 4.47Å |
| 54 | P | 97.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | trans | -54.5 | 132.9 | 172.8 | -24.6 | 33.6 | 0 | 0 | 0 | 111.2 | S264 R267 R268 | P54-S264 VanDerWaalsContact CD-OG 3.3Å; P54-S264 WeakPolarHBondContact CD-OG 3.37Å; P54-S264 WeakPolarHBondContact CG-OG 3.44Å; P54-R267 HydrophobicContact CB-CB 4.07Å; P54-R267 HydrophobicContact CG-CB 4.07Å; P54-R267 WeakPolarHBondContact O-CD 3.31Å; P54-R267 PolarHBondContact O-NH1 3.19Å; P54-R268 HydrophobicContact CG-CG 4.15Å | ||
| 55 | N | 94.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 66 Ų | 66 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | trans | -81.6 | -167.6 | -179.8 | -76.6 | -49.8 | 0 | 0 | 0 | 111.5 | L53 | L53-N55 PolarHBondContact O-N 3.49Š| ||
| 56 | R | 96.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 69.1 Ų | 69.1 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -54.8 | 131.3 | 169.5 | -171.7 | -173.3 | -171.7 | 78.5 | 7.3 | 109 | Y66 D78 P80 M272 | R56-Y66 PolarHBondContact NE-OH 3.49Å; R56-Y66 PolarHBondContact NH2-OH 3.11Å; R56-Y66 VanDerWaalsContact NH2-OH 3.09Å; R56-D78 PolarHBondContact NH1-O 3.43Å; R56-P80 HydrophobicContact CG-CG 4.5Å; R56-M272 HydrophobicContact CB-SD 4.12Å |
| 57 | P | 97.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 74.4 Ų | 74.4 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 153.9 | 175.8 | 29 | -37.8 | 0 | 0 | 0 | 111.6 | E61 P80 L82 A271 | P57-E61 WeakPolarHBondContact CA-OE2 3.44Å; P57-E61 HydrophobicContact CB-CB 4.07Å; P57-E61 WeakPolarHBondContact CB-OE2 3.42Å; P57-P80 HydrophobicContact CG-CB 3.99Å; P57-P80 HydrophobicContact CG-CG 3.63Å; P57-L82 HydrophobicContact CB-CD2 3.55Å; P57-L82 HydrophobicContact CG-CD2 3.69Å; P57-A271 HydrophobicContact CG-CB 3.78Å |
| 58 | E | 97.6 | Very high | 97.6 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 151.6 | 176 | -74.1 | -59.2 | 141.8 | 0 | 0 | 111 | H60 E61 | E58-H60 VanDerWaalsContact CB-CE1 3.44Å; E58-H60 WeakPolarHBondContact CB-CE1 3.33Å; E58-H60 WeakPolarHBondContact CB-ND1 3.07Å; E58-H60 PolarHBondContact O-N 2.64Å; E58-E61 HydrophobicContact CB-CG 4.37Å; E58-E61 PolarHBondContact N-OE2 2.92Å; E58-E61 WeakPolarHBondContact O-CB 3.16Å; E58-E61 PolarHBondContact O-N 3.49Å |
| 59 | P | 97.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -55.6 | -30 | -175.8 | -28.3 | 36 | 0 | 0 | 0 | 114.6 | E61 A62 R63 Y66 | P59-E61 VanDerWaalsContact C-N 3.3Å; P59-E61 PolarHBondContact O-N 2.93Å; P59-A62 PolarHBondContact O-N 2.9Å; P59-R63 PolarHBondContact O-N 3.16Å; P59-Y66 HydrophobicContact CB-CE2 4.25Å |
| 60 | H | 97.7 | Very high | 97.5 | Very high | 128 Ų | 128 | 79.5 Ų | 79.5 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -73.3 | -17.2 | 179 | 74.8 | -93.3 | 0 | 0 | 0 | 114 | E58 R63 | E58-H60 VanDerWaalsContact CB-CE1 3.44Å; E58-H60 WeakPolarHBondContact CB-CE1 3.33Å; E58-H60 WeakPolarHBondContact CB-ND1 3.07Å; E58-H60 PolarHBondContact O-N 2.64Å; H60-R63 WeakPolarHBondContact O-CG 3.3Å |
| 61 | E | 98.5 | Very high | 97.3 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -86.6 | -10.2 | 177 | -59.3 | -176.3 | 93.5 | 0 | 0 | 113 | P57 E58 P59 L82 D83 | P57-E61 WeakPolarHBondContact CA-OE2 3.44Å; P57-E61 HydrophobicContact CB-CB 4.07Å; P57-E61 WeakPolarHBondContact CB-OE2 3.42Å; E58-E61 HydrophobicContact CB-CG 4.37Å; E58-E61 PolarHBondContact N-OE2 2.92Å; E58-E61 WeakPolarHBondContact O-CB 3.16Å; E58-E61 PolarHBondContact O-N 3.49Å; P59-E61 VanDerWaalsContact C-N 3.3Å; P59-E61 PolarHBondContact O-N 2.93Å; E61-L82 HydrophobicContact CB-CD2 4.31Å; E61-D83 WeakPolarHBondContact O-CB 3.49Å; E61-D83 PolarHBondContact O-N 2.99Å |
| 62 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -136.7 | 34.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P59 L64 F65 Y66 P80 C81 | P59-A62 PolarHBondContact O-N 2.9Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 2.92Å; A62-F65 HydrophobicContact CB-CB 4.33Å; A62-F65 WeakPolarHBondContact O-CB 3.38Å; A62-F65 PolarHBondContact O-N 3.5Å; A62-F65 VanDerWaalsContact O-N 3.14Å; A62-Y66 HydrophobicContact CB-CD2 4.37Å; A62-Y66 HydrophobicContact CB-CE2 4.04Å; A62-Y66 WeakPolarHBondContact O-CD2 3.46Å; A62-Y66 PolarHBondContact O-N 3.38Å; A62-P80 HydrophobicContact CB-CB 4.05Å; A62-C81 WeakPolarHBondContact CA-O 3.5Å; A62-C81 VanDerWaalsContact CB-O 3.28Å; A62-C81 WeakPolarHBondContact CB-O 3.39Å |
| 63 | R | 98.5 | Very high | 97.2 | Very high | 152 Ų | 152 | 70.9 Ų | 70.9 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.5 | -35.9 | -172.5 | -57 | 168.8 | -56.9 | 141 | 11.6 | 112.2 | P59 H60 F65 Y66 K67 D83 | P59-R63 PolarHBondContact O-N 3.16Å; H60-R63 WeakPolarHBondContact O-CG 3.3Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-Y66 PolarHBondContact O-N 3.43Å; R63-K67 WeakPolarHBondContact O-CB 3.18Å; R63-K67 PolarHBondContact O-N 3.34Å; R63-D83 WeakPolarHBondContact CB-OD2 3.47Å; R63-D83 IonicContact CZ-OD2 3.55Å; R63-D83 PolarHBondContact N-OD1 3.32Å; R63-D83 VanDerWaalsContact N-OD1 3.11Å; R63-D83 PolarHBondContact N-OD2 3.44Å; R63-D83 IonicContact NE-OD2 2.74Å; R63-D83 PolarHBondContact NE-OD2 2.98Å; R63-D83 IonicContact NH2-OD2 3.4Å; R63-D83 PolarHBondContact NH2-OD2 3.44Å; R63-D83 VanDerWaalsContact NH2-OD2 3.17Å |
| 64 | L | 98.2 | Very high | 97.2 | Very high | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.9 | -28.9 | -179.7 | -65.7 | 172.8 | 0 | 0 | 0 | 112.2 | A62 K67 N68 D83 Y98 | A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 2.92Å; L64-K67 HydrophobicContact CD2-CD 4.28Å; L64-N68 WeakPolarHBondContact O-CB 3.43Å; L64-N68 PolarHBondContact O-N 3.11Å; L64-N68 PolarHBondContact O-ND2 3.09Å; L64-D83 WeakPolarHBondContact CB-OD1 3.32Å; L64-D83 PolarHBondContact N-OD1 3.38Å; L64-Y98 HydrophobicContact CB-CD2 4.1Å; L64-Y98 HydrophobicContact CB-CE2 4.44Å |
| 65 | F | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 167.8 | 164.5 | -94.4 | 0 | 0 | 0 | 111 | A62 R63 K67 N68 M69 N74 G77 I79 P80 C81 Y98 | A62-F65 HydrophobicContact CB-CB 4.33Å; A62-F65 WeakPolarHBondContact O-CB 3.38Å; A62-F65 PolarHBondContact O-N 3.5Å; A62-F65 VanDerWaalsContact O-N 3.14Å; R63-F65 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 3.42Å; F65-N68 CarbonylContact O-C 3.6Å; F65-N68 PolarHBondContact O-N 2.84Å; F65-M69 HydrophobicContact CE1-SD 4.05Å; F65-M69 HydrophobicContact CE2-SD 4.45Å; F65-M69 HydrophobicContact CZ-SD 3.85Å; F65-M69 PolarHBondContact O-N 3.02Å; F65-N74 WeakPolarHBondContact CD2-ND2 3.41Å; F65-N74 HydrophobicContact CE2-CB 4.04Å; F65-N74 VanDerWaalsContact CE2-ND2 3.35Å; F65-N74 WeakPolarHBondContact CE2-ND2 3.32Å; F65-N74 PolarHBondContact O-ND2 2.87Å; F65-N74 VanDerWaalsContact O-ND2 3.11Å; F65-G77 WeakPolarHBondContact CZ-O 3.5Å; F65-I79 WeakPolarHBondContact CE2-O 3.39Å; F65-I79 WeakPolarHBondContact CZ-O 3.49Å; F65-P80 HydrophobicContact CD1-CB 4.23Å; F65-P80 HydrophobicContact CE1-CB 4.4Å; F65-C81 HydrophobicContact CB-CB 3.92Å; F65-C81 HydrophobicContact CD2-CB 4.25Å; F65-C81 HydrophobicContact CG-CB 4.47Å; F65-Y98 HydrophobicContact CB-CE2 4.47Å; F65-Y98 WeakPolarHBondContact CD2-OH 3.29Å |
| 66 | Y | 98 | Very high | 97.4 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 179.2 | -68 | -66.9 | 0 | 0 | 0 | 112.4 | R56 P59 A62 R63 N68 M69 | R56-Y66 PolarHBondContact NE-OH 3.49Å; R56-Y66 PolarHBondContact NH2-OH 3.11Å; R56-Y66 VanDerWaalsContact NH2-OH 3.09Å; P59-Y66 HydrophobicContact CB-CE2 4.25Å; A62-Y66 HydrophobicContact CB-CD2 4.37Å; A62-Y66 HydrophobicContact CB-CE2 4.04Å; A62-Y66 WeakPolarHBondContact O-CD2 3.46Å; A62-Y66 PolarHBondContact O-N 3.38Å; R63-Y66 PolarHBondContact O-N 3.43Å; Y66-N68 PolarHBondContact O-N 2.86Å; Y66-M69 WeakPolarHBondContact O-CB 3.24Å; Y66-M69 VanDerWaalsContact O-CG 3.29Å; Y66-M69 WeakPolarHBondContact O-CG 3.35Å; Y66-M69 PolarHBondContact O-N 3.19Å |
| 67 | K | 97.8 | Very high | 97.4 | Very high | 165 Ų | 165 | 67.2 Ų | 67.2 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.1 | -28.2 | 172.1 | -172.9 | -178.6 | 177.1 | -173.2 | 0 | 112.8 | R63 L64 F65 | R63-K67 WeakPolarHBondContact O-CB 3.18Å; R63-K67 PolarHBondContact O-N 3.34Å; L64-K67 HydrophobicContact CD2-CD 4.28Å; F65-K67 PolarHBondContact O-N 3.42Å |
| 68 | N | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8.9 | -178.7 | -84.1 | -82.2 | 0 | 0 | 0 | 114.9 | L64 F65 Y66 A70 T71 N96 Y98 | L64-N68 WeakPolarHBondContact O-CB 3.43Å; L64-N68 PolarHBondContact O-N 3.11Å; L64-N68 PolarHBondContact O-ND2 3.09Å; F65-N68 CarbonylContact O-C 3.6Å; F65-N68 PolarHBondContact O-N 2.84Å; Y66-N68 PolarHBondContact O-N 2.86Å; N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.79Å; N68-T71 WeakPolarHBondContact CB-OG1 3.15Å; N68-T71 PolarHBondContact O-N 2.86Å; N68-T71 VanDerWaalsContact O-N 3.14Å; N68-T71 PolarHBondContact O-OG1 3.37Å; N68-T71 PolarHBondContact OD1-OG1 3.07Å; N68-N96 PolarHBondContact OD1-ND2 3.17Å; N68-Y98 HydrophobicContact CB-CD1 3.61Å; N68-Y98 HydrophobicContact CB-CE1 3.67Å; N68-Y98 HydrophobicContact CB-CG 4.1Å; N68-Y98 VanDerWaalsContact ND2-CB 3.32Å; N68-Y98 WeakPolarHBondContact ND2-CB 3.31Å |
| 69 | M | 96.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 65.7 Ų | 65.7 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -35.3 | 179.6 | -73.7 | -70.8 | -78.7 | 0 | 0 | 113.4 | F65 Y66 | F65-M69 HydrophobicContact CE1-SD 4.05Å; F65-M69 HydrophobicContact CE2-SD 4.45Å; F65-M69 HydrophobicContact CZ-SD 3.85Å; F65-M69 PolarHBondContact O-N 3.02Å; Y66-M69 WeakPolarHBondContact O-CB 3.24Å; Y66-M69 VanDerWaalsContact O-CG 3.29Å; Y66-M69 WeakPolarHBondContact O-CG 3.35Å; Y66-M69 PolarHBondContact O-N 3.19Å |
| 70 | A | 95.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 79% | 0.793 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N68 K72 | N68-A70 VanDerWaalsContact C-N 3.27Å; N68-A70 PolarHBondContact O-N 2.79Å; A70-K72 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 3.3Å |
| 71 | T | 94.4 | Very high | 97.4 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.8 | -170 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | N68 R73 | N68-T71 WeakPolarHBondContact CB-OG1 3.15Å; N68-T71 PolarHBondContact O-N 2.86Å; N68-T71 VanDerWaalsContact O-N 3.14Å; N68-T71 PolarHBondContact O-OG1 3.37Å; N68-T71 PolarHBondContact OD1-OG1 3.07Å; T71-R73 PolarHBondContact O-N 2.79Å; T71-R73 VanDerWaalsContact O-N 3.09Å; T71-R73 WeakPolarHBondContact OG1-CG 3.28Å |
| 72 | K | 95.4 | Very high | 97.4 | Very high | 133 Ų | 133 | 52.3 Ų | 52.3 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 17.6 | -171.3 | -55.7 | -175.7 | 177.6 | -178.5 | 0 | 114.7 | A70 L120 E122 | A70-K72 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 3.3Å; K72-L120 WeakPolarHBondContact O-CD1 3.42Å; K72-E122 HydrophobicContact CB-CG 4.13Å; K72-E122 HydrophobicContact CD-CG 4.1Å; K72-E122 WeakPolarHBondContact CD-OE1 3.48Å; K72-E122 IonicContact NZ-OE1 2.74Å; K72-E122 PolarHBondContact NZ-OE1 3.35Å |
| 73 | R | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | trans | -83.3 | -13 | 178 | -64.1 | -170.5 | 179.5 | -160.5 | 7.6 | 113.8 | T71 D94 N96 Y98 Q117 T123 D126 | T71-R73 PolarHBondContact O-N 2.79Å; T71-R73 VanDerWaalsContact O-N 3.09Å; T71-R73 WeakPolarHBondContact OG1-CG 3.28Å; R73-D94 IonicContact CZ-OD1 3.46Å; R73-D94 IonicContact CZ-OD2 3.69Å; R73-D94 IonicContact NH2-OD1 2.67Å; R73-D94 PolarHBondContact NH2-OD1 3.27Å; R73-D94 IonicContact NH2-OD2 3.71Å; R73-D94 PolarHBondContact NH2-OD2 2.83Å; R73-N96 PolarHBondContact NH1-O 3.14Å; R73-N96 PolarHBondContact NH2-O 3.28Å; R73-Y98 HydrophobicContact CB-CD1 3.86Å; R73-Y98 HydrophobicContact CB-CE1 3.96Å; R73-Y98 WeakPolarHBondContact CD-O 3.47Å; R73-Y98 PolarHBondContact NH1-O 3.19Å; R73-Q117 PolarHBondContact O-NE2 3.25Å; R73-T123 HydrophobicContact CB-CG2 4.09Å; R73-T123 HydrophobicContact CG-CG2 4.14Å; R73-D126 IonicContact CZ-OD2 3.44Å; R73-D126 IonicContact NE-OD2 3.93Å; R73-D126 IonicContact NH1-OD2 2.75Å | ||
| 74 | N | 98.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | trans | -103 | 125.5 | 176.1 | -60.3 | -27.6 | 0 | 0 | 0 | 110.2 | F65 Y76 Y98 H100 | F65-N74 WeakPolarHBondContact CD2-ND2 3.41Å; F65-N74 HydrophobicContact CE2-CB 4.04Å; F65-N74 VanDerWaalsContact CE2-ND2 3.35Å; F65-N74 WeakPolarHBondContact CE2-ND2 3.32Å; F65-N74 PolarHBondContact O-ND2 2.87Å; F65-N74 VanDerWaalsContact O-ND2 3.11Å; N74-Y76 VanDerWaalsContact C-N 3.32Å; N74-Y98 WeakPolarHBondContact OD1-CE1 3.15Å; N74-Y98 PolarHBondContact OD1-OH 3.2Å; N74-H100 PolarHBondContact OD1-CD2 2.92Å | ||
| 75 | R | 97.5 | Very high | 97.4 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -73 | -28.8 | 174.7 | -179.9 | 177.7 | -75.7 | -83.6 | 3.4 | 112.1 | A118 P119 L120 S232 | R75-A118 PolarHBondContact NE-O 2.92Å; R75-A118 PolarHBondContact NH2-O 2.74Å; R75-A118 VanDerWaalsContact NH2-O 3.11Å; R75-P119 PolarHBondContact NH2-O 3.27Å; R75-L120 HydrophobicContact CB-CD1 4.18Å; R75-L120 HydrophobicContact CB-CD2 4.12Å; R75-L120 HydrophobicContact CB-CG 4.31Å; R75-L120 HydrophobicContact CG-CD2 4.13Å; R75-S232 WeakPolarHBondContact CD-O 3.38Å |
| 76 | Y | 97.1 | Very high | 97.5 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -137.3 | 123.7 | -176.2 | -64.8 | -68.3 | 0 | 0 | 0 | 109.5 | N74 D78 I79 S232 A233 | N74-Y76 VanDerWaalsContact C-N 3.32Å; Y76-D78 WeakPolarHBondContact CB-OD1 3.45Å; Y76-D78 PolarHBondContact O-N 3.2Å; Y76-I79 HydrophobicContact CD2-CG1 4.4Å; Y76-I79 HydrophobicContact CG-CG1 4.2Å; Y76-S232 PolarHBondContact OH-OG 3.43Å; Y76-A233 HydrophobicContact CD2-CB 3.58Å; Y76-A233 HydrophobicContact CE2-CB 3.71Å | ||
| 77 | G | 96.6 | Very high | 97.5 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F65 | F65-G77 WeakPolarHBondContact CZ-O 3.5Š|
| 78 | D | 96.2 | Very high | 97.5 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -5 | 179.1 | 63.2 | -54 | 0 | 0 | 0 | 113.4 | R56 Y76 P80 | R56-D78 PolarHBondContact NH1-O 3.43Å; Y76-D78 WeakPolarHBondContact CB-OD1 3.45Å; Y76-D78 PolarHBondContact O-N 3.2Å; D78-P80 WeakPolarHBondContact O-CD 3.37Å |
| 79 | I | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -107.9 | 100.8 | -177.9 | -54.4 | -59.1 | 0 | 0 | 0 | 109.8 | F65 Y76 H100 A233 V235 | F65-I79 WeakPolarHBondContact CE2-O 3.39Å; F65-I79 WeakPolarHBondContact CZ-O 3.49Å; Y76-I79 HydrophobicContact CD2-CG1 4.4Å; Y76-I79 HydrophobicContact CG-CG1 4.2Å; I79-H100 PolarHBondContact O-NE2 3.5Å; I79-A233 HydrophobicContact CG1-CB 4.16Å; I79-A233 HydrophobicContact CG2-CB 4.43Å; I79-V235 HydrophobicContact CD1-CG2 4.27Å; I79-V235 HydrophobicContact CG2-CB 4.49Å; I79-V235 HydrophobicContact CG2-CG1 3.58Å; I79-V235 HydrophobicContact CG2-CG2 4.03Å |
| 80 | P | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 149.1 | -174.2 | 26.5 | -31.6 | 0 | 0 | 0 | 113.6 | R56 P57 A62 F65 D78 H100 A271 | R56-P80 HydrophobicContact CG-CG 4.5Å; P57-P80 HydrophobicContact CG-CB 3.99Å; P57-P80 HydrophobicContact CG-CG 3.63Å; A62-P80 HydrophobicContact CB-CB 4.05Å; F65-P80 HydrophobicContact CD1-CB 4.23Å; F65-P80 HydrophobicContact CE1-CB 4.4Å; D78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-H100 PolarHBondContact O-NE2 2.95Å; P80-A271 HydrophobicContact CG-CB 3.9Å |
| 81 | C | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 122.8 | 166.1 | -157.5 | 0 | 0 | 0 | 0 | 109 | A62 F65 Y98 H100 N102 | A62-C81 WeakPolarHBondContact CA-O 3.5Å; A62-C81 VanDerWaalsContact CB-O 3.28Å; A62-C81 WeakPolarHBondContact CB-O 3.39Å; F65-C81 HydrophobicContact CB-CB 3.92Å; F65-C81 HydrophobicContact CD2-CB 4.25Å; F65-C81 HydrophobicContact CG-CB 4.47Å; C81-Y98 HydrophobicContact CB-CE2 4.14Å; C81-Y98 WeakPolarHBondContact CB-OH 3.45Å; C81-H100 WeakPolarHBondContact CA-NE2 3.48Å; C81-H100 WeakPolarHBondContact CB-CE1 3.45Å; C81-H100 WeakPolarHBondContact CB-ND1 3.33Å; C81-H100 PolarHBondContact N-NE2 3.33Å; C81-H100 VanDerWaalsContact N-NE2 3.14Å; C81-H100 PolarHBondContact SG-CE1 3.39Å; C81-N102 PolarHBondContact SG-OD1 3.31Å |
| 82 | L | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 128.4 | -178.7 | -67 | 173.1 | 0 | 0 | 0 | 111.5 | P57 E61 K84 R86 N102 A271 | P57-L82 HydrophobicContact CB-CD2 3.55Å; P57-L82 HydrophobicContact CG-CD2 3.69Å; E61-L82 HydrophobicContact CB-CD2 4.31Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.64Å; L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 3.01Å; L82-R86 VanDerWaalsContact O-N 3.12Å; L82-N102 PolarHBondContact N-ND2 2.88Å; L82-N102 PolarHBondContact O-ND2 2.93Å; L82-A271 HydrophobicContact CD1-CB 4.22Å; L82-A271 HydrophobicContact CD2-CB 4.12Å; L82-A271 HydrophobicContact CG-CB 3.98Å |
| 83 | D | 98.7 | Very high | 96.9 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -58.4 | -41.3 | 177.5 | -79.9 | 5.5 | 0 | 0 | 0 | 111.2 | E61 R63 L64 T85 | E61-D83 WeakPolarHBondContact O-CB 3.49Å; E61-D83 PolarHBondContact O-N 2.99Å; R63-D83 WeakPolarHBondContact CB-OD2 3.47Å; R63-D83 IonicContact CZ-OD2 3.55Å; R63-D83 PolarHBondContact N-OD1 3.32Å; R63-D83 VanDerWaalsContact N-OD1 3.11Å; R63-D83 PolarHBondContact N-OD2 3.44Å; R63-D83 IonicContact NE-OD2 2.74Å; R63-D83 PolarHBondContact NE-OD2 2.98Å; R63-D83 IonicContact NH2-OD2 3.4Å; R63-D83 PolarHBondContact NH2-OD2 3.44Å; R63-D83 VanDerWaalsContact NH2-OD2 3.17Å; L64-D83 WeakPolarHBondContact CB-OD1 3.32Å; L64-D83 PolarHBondContact N-OD1 3.38Å; D83-T85 VanDerWaalsContact C-N 3.31Å; D83-T85 PolarHBondContact O-N 3.43Å |
| 84 | K | 98.5 | Very high | 96.6 | Very high | 198 Ų | 198 | 52.6 Ų | 52.6 | 86% | 0.861 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62.9 | -31.3 | -172.7 | -177.3 | 176.2 | -179.4 | 176.8 | 0 | 114.4 | L82 | L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.64Å |
| 85 | T | 98.7 | Very high | 96.5 | Very high | 24 Ų | 24 | 55 Ų | 55 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -125.5 | 6.7 | -171.2 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | D83 N102 W103 Q269 | D83-T85 VanDerWaalsContact C-N 3.31Å; D83-T85 PolarHBondContact O-N 3.43Å; T85-N102 CarbonylContact O-C 3.56Å; T85-N102 VanDerWaalsContact O-CA 3.28Å; T85-N102 WeakPolarHBondContact O-CA 3.35Å; T85-N102 PolarHBondContact OG1-ND2 3.2Å; T85-W103 PolarHBondContact O-N 3.14Å; T85-Q269 HydrophobicContact CG2-CB 4.37Å; T85-Q269 HydrophobicContact CG2-CG 4.37Å; T85-Q269 PolarHBondContact OG1-O 3.48Å |
| 86 | R | 98.7 | Very high | 96.4 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 156.7 | 179.9 | 72.9 | -178.3 | -176.8 | 98.7 | -5.1 | 111.3 | L82 D97 A101 N102 | L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 3.01Å; L82-R86 VanDerWaalsContact O-N 3.12Å; R86-D97 IonicContact CZ-OD1 3.02Å; R86-D97 IonicContact CZ-OD2 3.17Å; R86-D97 VanDerWaalsContact NH1-CG 3.29Å; R86-D97 IonicContact NH1-OD1 2.7Å; R86-D97 PolarHBondContact NH1-OD1 2.89Å; R86-D97 IonicContact NH1-OD2 3.18Å; R86-D97 PolarHBondContact NH1-OD2 3.24Å; R86-D97 IonicContact NH2-OD1 3.95Å; R86-D97 IonicContact NH2-OD2 3.17Å; R86-D97 PolarHBondContact NH2-OD2 2.95Å; R86-A101 CarbonylContact C-O 3.58Å; R86-A101 VanDerWaalsContact CA-O 3.26Å; R86-A101 WeakPolarHBondContact CA-O 3.39Å; R86-N102 WeakPolarHBondContact CA-ND2 3.35Å; R86-N102 PolarHBondContact N-ND2 2.89Å |
| 87 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 136.9 | 159.9 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | I99 A101 W103 I114 M130 E134 | V87-I99 HydrophobicContact CB-CG2 4.06Å; V87-I99 HydrophobicContact CG1-CG2 4.45Å; V87-A101 HydrophobicContact CB-CB 4.17Å; V87-A101 HydrophobicContact CG2-CB 3.86Å; V87-A101 PolarHBondContact N-O 3.11Å; V87-W103 HydrophobicContact CG2-CG 4.48Å; V87-I114 HydrophobicContact CG2-CD1 4.29Å; V87-I114 HydrophobicContact CG2-CG1 4.28Å; V87-I114 HydrophobicContact CG2-CG2 3.88Å; V87-M130 HydrophobicContact CB-SD 3.98Å; V87-M130 HydrophobicContact CG1-CG 3.91Å; V87-M130 HydrophobicContact CG1-SD 3.97Å; V87-M130 HydrophobicContact CG2-SD 3.96Å; V87-E134 HydrophobicContact CG1-CG 4.16Å; V87-E134 VanDerWaalsContact CG1-OE1 3.29Å; V87-E134 WeakPolarHBondContact CG1-OE1 3.34Å |
| 88 | A | 98.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.5 | 177 | 0 | 0 | 0 | 0 | 0 | 108.6 | I90 D97 Q133 | A88-I90 PolarHBondContact O-N 2.93Å; A88-D97 WeakPolarHBondContact CB-OD2 3.4Å; A88-Q133 PolarHBondContact O-NE2 3.34Å |
| 89 | L | 98.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -72.4 | 125.1 | 179.6 | -59.5 | 175.1 | 0 | 0 | 0 | 110 | A92 D97 I99 D126 M130 | L89-A92 HydrophobicContact CB-CB 4.26Å; L89-D97 PolarHBondContact N-O 3.36Å; L89-D97 WeakPolarHBondContact O-CB 3.34Å; L89-I99 HydrophobicContact CD1-CB 4.34Å; L89-I99 HydrophobicContact CD2-CB 4.47Å; L89-I99 HydrophobicContact CD2-CG2 4Å; L89-I99 HydrophobicContact CG-CB 4.36Å; L89-I99 HydrophobicContact CG-CG2 4.08Å; L89-D126 HydrophobicContact CD1-CB 3.79Å; L89-M130 HydrophobicContact CD2-CB 3.86Å | ||
| 90 | I | 97 | Very high | 96.7 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 75% | 0.754 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -73.3 | -43.8 | 177.3 | -58.8 | 173.5 | 0 | 0 | 0 | 110 | A88 A92 | A88-I90 PolarHBondContact O-N 2.93Å; I90-A92 PolarHBondContact O-N 3.44Å |
| 91 | D | 91.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -98.4 | 68.9 | 179.5 | -165.7 | 36.4 | 0 | 0 | 0 | 109.3 | H171 K196 | D91-H171 IonicContact OD2-CD2 2.9Å; D91-H171 PolarHBondContact OD2-CD2 3.1Å; D91-K196 IonicContact OD1-NZ 3.89Å; D91-K196 PolarHBondContact OD1-NZ 2.89Å; D91-K196 IonicContact OD2-NZ 3.93Å; D91-K196 PolarHBondContact OD2-NZ 2.84Å |
| 92 | A | 92.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | trans | -89.8 | 106.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.2 | L89 I90 G95 D97 | L89-A92 HydrophobicContact CB-CB 4.26Å; I90-A92 PolarHBondContact O-N 3.44Å; A92-G95 WeakPolarHBondContact O-CA 3.38Å; A92-G95 PolarHBondContact O-N 3.05Å; A92-D97 HydrophobicContact CB-CB 3.96Å | ||
| 93 | R | 87.4 | Confident | 96.7 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | -140.6 | 153.1 | 67.7 | 164.5 | -172.1 | 160.1 | 4.8 | 115.9 | E122 D126 | R93-E122 VanDerWaalsContact CZ-O 3.25Å; R93-E122 PolarHBondContact NH1-O 3.46Å; R93-E122 VanDerWaalsContact NH1-O 3.11Å; R93-E122 PolarHBondContact NH2-O 2.95Å; R93-D126 IonicContact CZ-OD1 3.2Å; R93-D126 IonicContact CZ-OD2 2.68Å; R93-D126 IonicContact NE-OD1 2.85Å; R93-D126 PolarHBondContact NE-OD1 3.07Å; R93-D126 IonicContact NE-OD2 3.96Å; R93-D126 PolarHBondContact NE-OD2 3.13Å; R93-D126 IonicContact NH2-OD1 3.08Å; R93-D126 PolarHBondContact NH2-OD1 2.96Å; R93-D126 IonicContact NH2-OD2 3.41Å; R93-D126 PolarHBondContact NH2-OD2 2.83Å |
| 94 | D | 91.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | cis | 72.7 | -9.6 | 12.4 | 104.3 | -1 | 0 | 0 | 0 | 118.8 | R73 N96 | R73-D94 IonicContact CZ-OD1 3.46Å; R73-D94 IonicContact CZ-OD2 3.69Å; R73-D94 IonicContact NH2-OD1 2.67Å; R73-D94 PolarHBondContact NH2-OD1 3.27Å; R73-D94 IonicContact NH2-OD2 3.71Å; R73-D94 PolarHBondContact NH2-OD2 2.83Å; D94-N96 PolarHBondContact O-N 3.23Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 3.23Å; D94-N96 VanDerWaalsContact OD1-N 3.08Å |
| 95 | G | 94.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 73% | 0.732 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 71.4 | 0.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | A92 | A92-G95 WeakPolarHBondContact O-CA 3.38Å; A92-G95 PolarHBondContact O-N 3.05Å |
| 96 | N | 96.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | trans | -100.6 | 108.5 | 175.4 | 179.8 | 9.1 | 0 | 0 | 0 | 109.7 | N68 R73 D94 Y98 | N68-N96 PolarHBondContact OD1-ND2 3.17Å; R73-N96 PolarHBondContact NH1-O 3.14Å; R73-N96 PolarHBondContact NH2-O 3.28Å; D94-N96 PolarHBondContact O-N 3.23Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 3.23Å; D94-N96 VanDerWaalsContact OD1-N 3.08Å; N96-Y98 PolarHBondContact O-N 3.13Å; N96-Y98 VanDerWaalsContact OD1-CB 3.23Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.36Å; N96-Y98 PolarHBondContact OD1-N 3.38Å | ||
| 97 | D | 98 | Very high | 95.6 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | trans | -79.6 | 4.4 | -174.8 | 76.3 | -34.1 | 0 | 0 | 0 | 114.3 | R86 A88 L89 A92 | R86-D97 IonicContact CZ-OD1 3.02Å; R86-D97 IonicContact CZ-OD2 3.17Å; R86-D97 VanDerWaalsContact NH1-CG 3.29Å; R86-D97 IonicContact NH1-OD1 2.7Å; R86-D97 PolarHBondContact NH1-OD1 2.89Å; R86-D97 IonicContact NH1-OD2 3.18Å; R86-D97 PolarHBondContact NH1-OD2 3.24Å; R86-D97 IonicContact NH2-OD1 3.95Å; R86-D97 IonicContact NH2-OD2 3.17Å; R86-D97 PolarHBondContact NH2-OD2 2.95Å; A88-D97 WeakPolarHBondContact CB-OD2 3.4Å; L89-D97 PolarHBondContact N-O 3.36Å; L89-D97 WeakPolarHBondContact O-CB 3.34Å; A92-D97 HydrophobicContact CB-CB 3.96Å | ||
| 98 | Y | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.6 | -174.2 | 180 | -95.3 | 0 | 0 | 0 | 113.1 | L64 F65 N68 R73 N74 C81 N96 H100 | L64-Y98 HydrophobicContact CB-CD2 4.1Å; L64-Y98 HydrophobicContact CB-CE2 4.44Å; F65-Y98 HydrophobicContact CB-CE2 4.47Å; F65-Y98 WeakPolarHBondContact CD2-OH 3.29Å; N68-Y98 HydrophobicContact CB-CD1 3.61Å; N68-Y98 HydrophobicContact CB-CE1 3.67Å; N68-Y98 HydrophobicContact CB-CG 4.1Å; N68-Y98 VanDerWaalsContact ND2-CB 3.32Å; N68-Y98 WeakPolarHBondContact ND2-CB 3.31Å; R73-Y98 HydrophobicContact CB-CD1 3.86Å; R73-Y98 HydrophobicContact CB-CE1 3.96Å; R73-Y98 WeakPolarHBondContact CD-O 3.47Å; R73-Y98 PolarHBondContact NH1-O 3.19Å; N74-Y98 WeakPolarHBondContact OD1-CE1 3.15Å; N74-Y98 PolarHBondContact OD1-OH 3.2Å; C81-Y98 HydrophobicContact CB-CE2 4.14Å; C81-Y98 WeakPolarHBondContact CB-OH 3.45Å; N96-Y98 PolarHBondContact O-N 3.13Å; N96-Y98 VanDerWaalsContact OD1-CB 3.23Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.36Å; N96-Y98 PolarHBondContact OD1-N 3.38Å; Y98-H100 HydrophobicContact CE1-CB 4.26Å |
| 99 | I | 98.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.8 | 159 | -177.5 | 164.5 | 0 | 0 | 0 | 108.8 | V87 L89 A101 D126 F127 M130 | V87-I99 HydrophobicContact CB-CG2 4.06Å; V87-I99 HydrophobicContact CG1-CG2 4.45Å; L89-I99 HydrophobicContact CD1-CB 4.34Å; L89-I99 HydrophobicContact CD2-CB 4.47Å; L89-I99 HydrophobicContact CD2-CG2 4Å; L89-I99 HydrophobicContact CG-CB 4.36Å; L89-I99 HydrophobicContact CG-CG2 4.08Å; I99-A101 HydrophobicContact CG1-CB 4.35Å; I99-A101 HydrophobicContact CG2-CB 4.19Å; I99-A101 PolarHBondContact O-N 3.2Å; I99-D126 HydrophobicContact CD1-CB 4.01Å; I99-D126 HydrophobicContact CG1-CB 4.48Å; I99-F127 HydrophobicContact CD1-CB 4.46Å; I99-M130 HydrophobicContact CD1-CB 4.08Å; I99-M130 HydrophobicContact CD1-CE 3.84Å; I99-M130 HydrophobicContact CD1-SD 3.85Å; I99-M130 HydrophobicContact CG1-SD 4.47Å; I99-M130 HydrophobicContact CG2-SD 4.03Å |
| 100 | H | 98.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 55.9 | -178.7 | -164.8 | -17.8 | 0 | 0 | 0 | 113 | N74 I79 P80 C81 Y98 T116 Q117 R270 | N74-H100 PolarHBondContact OD1-CD2 2.92Å; I79-H100 PolarHBondContact O-NE2 3.5Å; P80-H100 PolarHBondContact O-NE2 2.95Å; C81-H100 WeakPolarHBondContact CA-NE2 3.48Å; C81-H100 WeakPolarHBondContact CB-CE1 3.45Å; C81-H100 WeakPolarHBondContact CB-ND1 3.33Å; C81-H100 PolarHBondContact N-NE2 3.33Å; C81-H100 VanDerWaalsContact N-NE2 3.14Å; C81-H100 PolarHBondContact SG-CE1 3.39Å; Y98-H100 HydrophobicContact CE1-CB 4.26Å; H100-T116 PolarHBondContact O-OG1 2.71Å; H100-Q117 HydrophobicContact CB-CG 4.15Å; H100-Q117 PolarHBondContact CD2-OE1 3.28Å; H100-R270 PolarHBondContact CE1-NH1 3.28Å; H100-R270 PolarHBondContact CE1-NH2 3.26Å; H100-R270 VanDerWaalsContact CE1-NH2 3.34Å; H100-R270 PolarHBondContact ND1-NH1 2.85Å; H100-R270 VanDerWaalsContact ND1-NH1 3.12Å; H100-R270 PolarHBondContact ND1-NH2 3.49Å; H100-R270 PolarHBondContact NE2-NH1 3.34Å; H100-R270 PolarHBondContact NE2-NH2 3.18Å; H100-R270 PolarHBondContact O-NH1 3.08Å; H100-R270 PolarHBondContact O-NH2 2.83Å |
| 101 | A | 98.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R86 V87 I99 I114 M115 M130 | R86-A101 CarbonylContact C-O 3.58Å; R86-A101 VanDerWaalsContact CA-O 3.26Å; R86-A101 WeakPolarHBondContact CA-O 3.39Å; V87-A101 HydrophobicContact CB-CB 4.17Å; V87-A101 HydrophobicContact CG2-CB 3.86Å; V87-A101 PolarHBondContact N-O 3.11Å; I99-A101 HydrophobicContact CG1-CB 4.35Å; I99-A101 HydrophobicContact CG2-CB 4.19Å; I99-A101 PolarHBondContact O-N 3.2Å; A101-I114 HydrophobicContact CB-CG2 3.82Å; A101-M115 CarbonylContact C-O 3.52Å; A101-M115 WeakPolarHBondContact CA-O 3.37Å; A101-M130 HydrophobicContact CB-CE 4.03Å; A101-M130 HydrophobicContact CB-SD 3.45Å; A101-M130 WeakPolarHBondContact CB-SD 3.38Å |
| 102 | N | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.9 | 171 | -62 | 95.2 | 0 | 0 | 0 | 111.3 | C81 L82 T85 R86 I114 M115 Q269 R270 | C81-N102 PolarHBondContact SG-OD1 3.31Å; L82-N102 PolarHBondContact N-ND2 2.88Å; L82-N102 PolarHBondContact O-ND2 2.93Å; T85-N102 CarbonylContact O-C 3.56Å; T85-N102 VanDerWaalsContact O-CA 3.28Å; T85-N102 WeakPolarHBondContact O-CA 3.35Å; T85-N102 PolarHBondContact OG1-ND2 3.2Å; R86-N102 WeakPolarHBondContact CA-ND2 3.35Å; R86-N102 PolarHBondContact N-ND2 2.89Å; N102-I114 CarbonylContact O-C 3.53Å; N102-I114 WeakPolarHBondContact O-CA 3.25Å; N102-M115 PolarHBondContact N-O 3.12Å; N102-M115 PolarHBondContact O-N 3.14Å; N102-Q269 WeakPolarHBondContact CB-O 3.28Å; N102-R270 HydrophobicContact CB-CB 4.26Å; N102-R270 WeakPolarHBondContact OD1-CD 3.38Å; N102-R270 PolarHBondContact OD1-NH1 3.28Å |
| 103 | W | 98.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135.3 | 162.2 | -76.3 | 108 | 0 | 0 | 0 | 111 | T85 V87 R112 Y113 I114 E134 T226 | T85-W103 PolarHBondContact O-N 3.14Å; V87-W103 HydrophobicContact CG2-CG 4.48Å; W103-R112 VanDerWaalsContact CE2-NH2 3.28Å; W103-R112 HydrophobicContact CE3-CB 4.23Å; W103-R112 HydrophobicContact CZ3-CB 3.75Å; W103-Y113 WeakPolarHBondContact CA-O 3.35Å; W103-I114 HydrophobicContact CD2-CG1 3.96Å; W103-I114 HydrophobicContact CE3-CD1 4.41Å; W103-I114 HydrophobicContact CE3-CG1 3.66Å; W103-I114 HydrophobicContact CH2-CD1 3.86Å; W103-I114 HydrophobicContact CH2-CG1 3.99Å; W103-I114 HydrophobicContact CZ2-CD1 4.01Å; W103-I114 HydrophobicContact CZ2-CG1 4.26Å; W103-I114 HydrophobicContact CZ3-CD1 4.06Å; W103-I114 HydrophobicContact CZ3-CG1 3.67Å; W103-E134 HydrophobicContact CH2-CB 4.25Å; W103-E134 HydrophobicContact CH2-CG 4.5Å; W103-E134 HydrophobicContact CZ2-CB 4.19Å; W103-E134 HydrophobicContact CZ2-CG 3.96Å; W103-E134 WeakPolarHBondContact CZ2-OE2 3.43Å; W103-T226 HydrophobicContact CH2-CG2 3.7Å; W103-T226 HydrophobicContact CZ3-CG2 3.81Å |
| 104 | V | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.5 | 169.3 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | M106 Y113 M115 V242 V266 Q269 R270 | V104-M106 HydrophobicContact CG1-SD 3.85Å; V104-Y113 PolarHBondContact N-O 2.72Å; V104-Y113 WeakPolarHBondContact O-CB 2.92Å; V104-Y113 PolarHBondContact O-N 3.01Å; V104-M115 HydrophobicContact CB-SD 4.28Å; V104-M115 HydrophobicContact CG2-CB 4.25Å; V104-M115 HydrophobicContact CG2-CG 3.95Å; V104-M115 HydrophobicContact CG2-SD 3.62Å; V104-V242 HydrophobicContact CG1-CG1 3.95Å; V104-V266 HydrophobicContact CG1-CG1 4.25Å; V104-V266 HydrophobicContact CG1-CG2 4.39Å; V104-Q269 HydrophobicContact CB-CB 4.36Å; V104-Q269 HydrophobicContact CG1-CB 4.3Å; V104-Q269 HydrophobicContact CG2-CB 3.89Å; V104-R270 HydrophobicContact CG2-CB 3.84Å |
| 105 | T | 94.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 41% | 0.405 | 20% | 0.2 | S | C | . | . | trans | -111 | 133.3 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | Q269 | T105-Q269 PolarHBondContact O-NE2 3.02Å; T105-Q269 PolarHBondContact O-OE1 3.3Å | ||
| 106 | M | 92.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | trans | -115.7 | 139.4 | 179.3 | -54.6 | -56.7 | -78.5 | 0 | 0 | 109.4 | V104 A109 Y113 V242 V262 M265 V266 | V104-M106 HydrophobicContact CG1-SD 3.85Å; M106-A109 HydrophobicContact CB-CB 4.06Å; M106-A109 WeakPolarHBondContact O-CB 3.27Å; M106-A109 PolarHBondContact O-N 3.07Å; M106-Y113 HydrophobicContact CG-CD2 4.39Å; M106-Y113 HydrophobicContact CG-CE2 4.22Å; M106-V242 HydrophobicContact CG-CG1 3.83Å; M106-V242 HydrophobicContact SD-CG1 4.13Å; M106-V262 HydrophobicContact CE-CG1 3.6Å; M106-M265 HydrophobicContact CE-CE 3.59Å; M106-M265 HydrophobicContact SD-CE 4.18Å; M106-V266 HydrophobicContact CE-CG2 3.59Å; M106-V266 HydrophobicContact SD-CG2 3.78Å | ||
| 107 | P | 87.7 | Confident | 93.5 | Very high | 75 Ų | 75 | 31 Ų | 31 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 144 | 172.2 | -24.2 | 34.2 | 0 | 0 | 0 | 111.3 | A109 M265 | P107-A109 PolarHBondContact O-N 3.35Å; P107-M265 VanDerWaalsContact CD-SD 3.54Å; P107-M265 HydrophobicContact CG-CE 3.82Å; P107-M265 HydrophobicContact CG-SD 3.83Å |
| 108 | N | 77.4 | Confident | 93.5 | Very high | 117 Ų | 117 | 28.9 Ų | 28.9 | 63% | 0.626 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 1.8 | -178.9 | -56.3 | -2.4 | 0 | 0 | 0 | 116 | E253 | N108-E253 PolarHBondContact ND2-OE1 3.15Å; N108-E253 PolarHBondContact ND2-OE2 3.14Å |
| 109 | A | 79.4 | Confident | 93.5 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | trans | -71.9 | 131.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M106 P107 C111 Y113 | M106-A109 HydrophobicContact CB-CB 4.06Å; M106-A109 WeakPolarHBondContact O-CB 3.27Å; M106-A109 PolarHBondContact O-N 3.07Å; P107-A109 PolarHBondContact O-N 3.35Å; A109-C111 WeakPolarHBondContact CB-O 3.43Å; A109-C111 PolarHBondContact O-N 2.96Å; A109-C111 VanDerWaalsContact O-N 3.14Å; A109-Y113 HydrophobicContact CB-CE2 4.4Å | ||
| 110 | R | 77.5 | Confident | 93.4 | Very high | 127 Ų | 127 | 29.7 Ų | 29.7 | 48% | 0.479 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -79 | 19.1 | 173.4 | -61 | -174.2 | -179 | -178.4 | 0.7 | 113.3 | G14 C219 P224 | G14-R110 PolarHBondContact O-NH1 3.23Å; G14-R110 PolarHBondContact O-NH2 3.07Å; R110-C219 HydrophobicContact CB-CB 4.18Å; R110-P224 WeakPolarHBondContact O-CA 3.42Å |
| 111 | C | 85.8 | Confident | 93.3 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 150.2 | -170.9 | 32.2 | 0 | 0 | 0 | 0 | 109.4 | A109 C219 M225 I227 | A109-C111 WeakPolarHBondContact CB-O 3.43Å; A109-C111 PolarHBondContact O-N 2.96Å; A109-C111 VanDerWaalsContact O-N 3.14Å; C111-C219 HydrophobicContact CB-CB 3.88Å; C111-C219 WeakPolarHBondContact CB-SG 3.11Å; C111-C219 WeakPolarHBondContact SG-CB 3.08Å; C111-C219 CovalentContact SG-SG 2.05Å; C111-C219 PolarHBondContact SG-SG 2.71Å; C111-M225 CarbonylContact C-O 3.58Å; C111-M225 WeakPolarHBondContact CA-O 3.41Å; C111-M225 HydrophobicContact CB-CB 4.41Å; C111-M225 WeakPolarHBondContact CB-O 3.41Å; C111-I227 HydrophobicContact CB-CD1 3.87Å; C111-I227 HydrophobicContact CB-CG1 4.31Å |
| 112 | R | 90.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.7 | 174.7 | -72.6 | 176 | 56.4 | -175 | -8.2 | 108.7 | W103 M225 T226 I227 | W103-R112 VanDerWaalsContact CE2-NH2 3.28Å; W103-R112 HydrophobicContact CE3-CB 4.23Å; W103-R112 HydrophobicContact CZ3-CB 3.75Å; R112-M225 PolarHBondContact N-O 3.37Å; R112-T226 WeakPolarHBondContact O-CA 3.2Å; R112-I227 PolarHBondContact O-N 2.95Å |
| 113 | Y | 95.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.2 | -178.6 | -53.8 | -83.9 | 0 | 0 | 0 | 111.2 | W103 V104 M106 A109 I227 V229 V242 Q245 | W103-Y113 WeakPolarHBondContact CA-O 3.35Å; V104-Y113 PolarHBondContact N-O 2.72Å; V104-Y113 WeakPolarHBondContact O-CB 2.92Å; V104-Y113 PolarHBondContact O-N 3.01Å; M106-Y113 HydrophobicContact CG-CD2 4.39Å; M106-Y113 HydrophobicContact CG-CE2 4.22Å; A109-Y113 HydrophobicContact CB-CE2 4.4Å; Y113-I227 CarbonylContact C-O 3.59Å; Y113-I227 VanDerWaalsContact CA-O 3.29Å; Y113-I227 WeakPolarHBondContact CA-O 3.36Å; Y113-I227 HydrophobicContact CD1-CB 4.03Å; Y113-I227 HydrophobicContact CD1-CG2 4.26Å; Y113-I227 HydrophobicContact CE1-CB 4.38Å; Y113-I227 HydrophobicContact CE1-CD1 4.2Å; Y113-V229 HydrophobicContact CD1-CG2 3.91Å; Y113-V242 HydrophobicContact CD1-CG2 3.98Å; Y113-V242 HydrophobicContact CD2-CG1 3.77Å; Y113-V242 HydrophobicContact CD2-CG2 4.37Å; Y113-V242 HydrophobicContact CE1-CG2 4.47Å; Y113-V242 HydrophobicContact CE2-CG1 4.09Å; Y113-V242 HydrophobicContact CG-CG1 4.15Å; Y113-V242 HydrophobicContact CG-CG2 3.92Å; Y113-Q245 PolarHBondContact OH-OE1 3.3Å; Y113-Q245 VanDerWaalsContact OH-OE1 3.09Å |
| 114 | I | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111 | 161.9 | -65.2 | 172.6 | 0 | 0 | 0 | 106.7 | V87 A101 N102 W103 M130 E134 V136 T226 I227 I228 V229 | V87-I114 HydrophobicContact CG2-CD1 4.29Å; V87-I114 HydrophobicContact CG2-CG1 4.28Å; V87-I114 HydrophobicContact CG2-CG2 3.88Å; A101-I114 HydrophobicContact CB-CG2 3.82Å; N102-I114 CarbonylContact O-C 3.53Å; N102-I114 WeakPolarHBondContact O-CA 3.25Å; W103-I114 HydrophobicContact CD2-CG1 3.96Å; W103-I114 HydrophobicContact CE3-CD1 4.41Å; W103-I114 HydrophobicContact CE3-CG1 3.66Å; W103-I114 HydrophobicContact CH2-CD1 3.86Å; W103-I114 HydrophobicContact CH2-CG1 3.99Å; W103-I114 HydrophobicContact CZ2-CD1 4.01Å; W103-I114 HydrophobicContact CZ2-CG1 4.26Å; W103-I114 HydrophobicContact CZ3-CD1 4.06Å; W103-I114 HydrophobicContact CZ3-CG1 3.67Å; I114-M130 HydrophobicContact CD1-CG 4.47Å; I114-M130 HydrophobicContact CG2-CE 3.96Å; I114-M130 HydrophobicContact CG2-SD 3.78Å; I114-E134 HydrophobicContact CD1-CB 3.78Å; I114-E134 HydrophobicContact CD1-CG 3.75Å; I114-V136 HydrophobicContact CD1-CG2 4.5Å; I114-T226 HydrophobicContact CD1-CG2 3.67Å; I114-T226 HydrophobicContact CG1-CG2 4.09Å; I114-I227 PolarHBondContact N-O 2.8Å; I114-I228 HydrophobicContact CB-CG1 3.95Å; I114-I228 HydrophobicContact CD1-CG1 4.43Å; I114-I228 HydrophobicContact CG2-CG1 4.2Å; I114-I228 WeakPolarHBondContact O-CA 3.42Å; I114-V229 PolarHBondContact O-N 3.14Å |
| 115 | M | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.2 | 173.5 | -71.9 | -179.5 | 62.3 | 0 | 0 | 109.6 | A101 N102 V104 V229 V242 V266 R270 A273 | A101-M115 CarbonylContact C-O 3.52Å; A101-M115 WeakPolarHBondContact CA-O 3.37Å; N102-M115 PolarHBondContact N-O 3.12Å; N102-M115 PolarHBondContact O-N 3.14Å; V104-M115 HydrophobicContact CB-SD 4.28Å; V104-M115 HydrophobicContact CG2-CB 4.25Å; V104-M115 HydrophobicContact CG2-CG 3.95Å; V104-M115 HydrophobicContact CG2-SD 3.62Å; M115-V229 WeakPolarHBondContact CA-O 3.19Å; M115-V242 HydrophobicContact CG-CG2 4.26Å; M115-V242 HydrophobicContact SD-CB 4.4Å; M115-V242 HydrophobicContact SD-CG2 4.11Å; M115-V266 HydrophobicContact CE-CG1 4.31Å; M115-V266 HydrophobicContact SD-CG1 3.8Å; M115-R270 HydrophobicContact CB-CB 4.25Å; M115-R270 HydrophobicContact CB-CG 3.88Å; M115-R270 HydrophobicContact CE-CB 4.2Å; M115-R270 HydrophobicContact CE-CG 3.79Å; M115-R270 PolarHBondContact O-NH1 3.3Å; M115-R270 HydrophobicContact SD-CB 4.07Å; M115-R270 HydrophobicContact SD-CG 4.22Å; M115-A273 HydrophobicContact CE-CB 4.1Å |
| 116 | T | 98.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 159.1 | -174.4 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | H100 F127 M130 I228 V229 H230 G234 | H100-T116 PolarHBondContact O-OG1 2.71Å; T116-F127 HydrophobicContact CG2-CD2 4.46Å; T116-F127 HydrophobicContact CG2-CE2 4.06Å; T116-M130 HydrophobicContact CG2-CE 4.15Å; T116-I228 HydrophobicContact CG2-CG2 3.85Å; T116-V229 PolarHBondContact N-O 3.36Å; T116-H230 HydrophobicContact CG2-CB 3.75Å; T116-H230 WeakPolarHBondContact O-CA 3.44Å; T116-H230 WeakPolarHBondContact O-CB 3.2Å; T116-G234 WeakPolarHBondContact O-CA 3.47Å |
| 117 | Q | 98.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 160.9 | 169.4 | 72 | -177 | 19 | 0 | 0 | 111.3 | R73 H100 S232 | R73-Q117 PolarHBondContact O-NE2 3.25Å; H100-Q117 HydrophobicContact CB-CG 4.15Å; H100-Q117 PolarHBondContact CD2-OE1 3.28Å; Q117-S232 WeakPolarHBondContact CA-O 3.48Å |
| 118 | A | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 129.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R75 L120 K152 C231 S232 | R75-A118 PolarHBondContact NE-O 2.92Å; R75-A118 PolarHBondContact NH2-O 2.74Å; R75-A118 VanDerWaalsContact NH2-O 3.11Å; A118-L120 PolarHBondContact O-N 2.86Å; A118-K152 WeakPolarHBondContact CB-O 3.41Å; A118-C231 WeakPolarHBondContact CA-O 3.3Å; A118-C231 WeakPolarHBondContact CB-O 3.25Å; A118-C231 PolarHBondContact N-O 2.92Å; A118-S232 PolarHBondContact N-O 3.16Å |
| 119 | P | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -49.1 | 138.6 | 179.2 | -30.8 | 37.8 | 0 | 0 | 0 | 112.9 | R75 F127 L154 Y156 | R75-P119 PolarHBondContact NH2-O 3.27Å; P119-F127 HydrophobicContact CB-CB 4.34Å; P119-F127 HydrophobicContact CB-CG 4.44Å; P119-F127 HydrophobicContact CG-CB 3.95Å; P119-F127 HydrophobicContact CG-CD1 4Å; P119-F127 HydrophobicContact CG-CD2 3.56Å; P119-F127 HydrophobicContact CG-CE1 4.39Å; P119-F127 HydrophobicContact CG-CE2 3.97Å; P119-F127 HydrophobicContact CG-CG 3.55Å; P119-F127 HydrophobicContact CG-CZ 4.37Å; P119-L154 WeakPolarHBondContact O-CD2 3.43Å; P119-Y156 HydrophobicContact CB-CD1 4.16Å; P119-Y156 HydrophobicContact CB-CG 4.3Å; P119-Y156 HydrophobicContact CG-CD1 3.65Å; P119-Y156 HydrophobicContact CG-CD2 4.48Å; P119-Y156 HydrophobicContact CG-CE1 4.05Å; P119-Y156 HydrophobicContact CG-CG 3.89Å |
| 120 | L | 97.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.12 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 160.6 | 169.8 | -67.5 | 165.8 | 0 | 0 | 0 | 109.4 | K72 R75 A118 E122 T123 T124 | K72-L120 WeakPolarHBondContact O-CD1 3.42Å; R75-L120 HydrophobicContact CB-CD1 4.18Å; R75-L120 HydrophobicContact CB-CD2 4.12Å; R75-L120 HydrophobicContact CB-CG 4.31Å; R75-L120 HydrophobicContact CG-CD2 4.13Å; A118-L120 PolarHBondContact O-N 2.86Å; L120-E122 PolarHBondContact O-N 3.07Å; L120-T123 HydrophobicContact CB-CG2 4.17Å; L120-T123 HydrophobicContact CD1-CG2 4.23Å; L120-T123 PolarHBondContact N-OG1 3.36Å; L120-T123 CarbonylContact O-C 3.58Å; L120-T123 PolarHBondContact O-N 2.89Å; L120-T124 PolarHBondContact O-N 3.3Å; L120-T124 VanDerWaalsContact O-N 3.08Å; L120-T124 PolarHBondContact O-OG1 3.47Å |
| 121 | P | 96.2 | Very high | 96.9 | Very high | 97 Ų | 97 | 18.7 Ų | 18.7 | 63% | 0.63 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -43.7 | 172.7 | -24.9 | 34 | 0 | 0 | 0 | 110.8 | L154 | P121-L154 HydrophobicContact CG-CD2 3.96Å; P121-L154 VanDerWaalsContact N-CD2 3.29Å |
| 122 | E | 95.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 19.5 Ų | 19.5 | 33% | 0.332 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -40.5 | 175.8 | -66.6 | 84.2 | 170.8 | 0 | 0 | 113.2 | K72 R93 L120 | K72-E122 HydrophobicContact CB-CG 4.13Å; K72-E122 HydrophobicContact CD-CG 4.1Å; K72-E122 WeakPolarHBondContact CD-OE1 3.48Å; K72-E122 IonicContact NZ-OE1 2.74Å; K72-E122 PolarHBondContact NZ-OE1 3.35Å; R93-E122 VanDerWaalsContact CZ-O 3.25Å; R93-E122 PolarHBondContact NH1-O 3.46Å; R93-E122 VanDerWaalsContact NH1-O 3.11Å; R93-E122 PolarHBondContact NH2-O 2.95Å; L120-E122 PolarHBondContact O-N 3.07Å |
| 123 | T | 97.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11.8 | -171.5 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | R73 L120 D126 F127 | R73-T123 HydrophobicContact CB-CG2 4.09Å; R73-T123 HydrophobicContact CG-CG2 4.14Å; L120-T123 HydrophobicContact CB-CG2 4.17Å; L120-T123 HydrophobicContact CD1-CG2 4.23Å; L120-T123 PolarHBondContact N-OG1 3.36Å; L120-T123 CarbonylContact O-C 3.58Å; L120-T123 PolarHBondContact O-N 2.89Å; T123-D126 WeakPolarHBondContact O-CB 3.46Å; T123-D126 PolarHBondContact O-N 3.41Å; T123-F127 PolarHBondContact O-N 2.89Å |
| 124 | T | 97.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.8 | -35.2 | -175.4 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L120 F127 W128 H169 | L120-T124 PolarHBondContact O-N 3.3Å; L120-T124 VanDerWaalsContact O-N 3.08Å; L120-T124 PolarHBondContact O-OG1 3.47Å; T124-F127 PolarHBondContact O-N 3.39Å; T124-W128 VanDerWaalsContact O-CD1 3.28Å; T124-W128 PolarHBondContact O-N 2.7Å; T124-W128 VanDerWaalsContact O-N 3.15Å; T124-H169 WeakPolarHBondContact CG2-CE1 3.07Å; T124-H169 WeakPolarHBondContact CG2-ND1 2.99Å |
| 125 | A | 97.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 24% | 0.24 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F127 W128 S129 | A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.07Å; A125-W128 PolarHBondContact O-N 2.67Å; A125-S129 WeakPolarHBondContact O-CB 3.31Å; A125-S129 PolarHBondContact O-N 2.82Å |
| 126 | D | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 175.6 | -62.3 | -25.7 | 0 | 0 | 0 | 111.4 | R73 L89 R93 I99 T123 S129 M130 | R73-D126 IonicContact CZ-OD2 3.44Å; R73-D126 IonicContact NE-OD2 3.93Å; R73-D126 IonicContact NH1-OD2 2.75Å; L89-D126 HydrophobicContact CD1-CB 3.79Å; R93-D126 IonicContact CZ-OD1 3.2Å; R93-D126 IonicContact CZ-OD2 2.68Å; R93-D126 IonicContact NE-OD1 2.85Å; R93-D126 PolarHBondContact NE-OD1 3.07Å; R93-D126 IonicContact NE-OD2 3.96Å; R93-D126 PolarHBondContact NE-OD2 3.13Å; R93-D126 IonicContact NH2-OD1 3.08Å; R93-D126 PolarHBondContact NH2-OD1 2.96Å; R93-D126 IonicContact NH2-OD2 3.41Å; R93-D126 PolarHBondContact NH2-OD2 2.83Å; I99-D126 HydrophobicContact CD1-CB 4.01Å; I99-D126 HydrophobicContact CG1-CB 4.48Å; T123-D126 WeakPolarHBondContact O-CB 3.46Å; T123-D126 PolarHBondContact O-N 3.41Å; D126-S129 PolarHBondContact O-N 3.42Å; D126-M130 WeakPolarHBondContact O-CB 3.2Å; D126-M130 PolarHBondContact O-N 2.83Å |
| 127 | F | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.9 | 178.6 | -93.3 | 0 | 0 | 0 | 111.8 | I99 T116 P119 T123 T124 A125 M130 V131 I139 Y156 I228 | I99-F127 HydrophobicContact CD1-CB 4.46Å; T116-F127 HydrophobicContact CG2-CD2 4.46Å; T116-F127 HydrophobicContact CG2-CE2 4.06Å; P119-F127 HydrophobicContact CB-CB 4.34Å; P119-F127 HydrophobicContact CB-CG 4.44Å; P119-F127 HydrophobicContact CG-CB 3.95Å; P119-F127 HydrophobicContact CG-CD1 4Å; P119-F127 HydrophobicContact CG-CD2 3.56Å; P119-F127 HydrophobicContact CG-CE1 4.39Å; P119-F127 HydrophobicContact CG-CE2 3.97Å; P119-F127 HydrophobicContact CG-CG 3.55Å; P119-F127 HydrophobicContact CG-CZ 4.37Å; T123-F127 PolarHBondContact O-N 2.89Å; T124-F127 PolarHBondContact O-N 3.39Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.07Å; F127-M130 HydrophobicContact CD2-CE 3.99Å; F127-M130 HydrophobicContact CE2-CE 4.28Å; F127-M130 WeakPolarHBondContact O-CB 3.3Å; F127-M130 PolarHBondContact O-N 3.35Å; F127-V131 HydrophobicContact CD1-CG2 3.95Å; F127-V131 HydrophobicContact CE1-CG2 3.62Å; F127-V131 HydrophobicContact CZ-CG2 3.99Å; F127-V131 WeakPolarHBondContact O-CG2 3.24Å; F127-V131 PolarHBondContact O-N 2.88Å; F127-I139 HydrophobicContact CE1-CD1 4.09Å; F127-I139 HydrophobicContact CZ-CD1 4.16Å; F127-I139 HydrophobicContact CZ-CG2 4.11Å; F127-Y156 HydrophobicContact CD1-CD2 4.02Å; F127-Y156 HydrophobicContact CD1-CE2 4.25Å; F127-Y156 AromaticContact CE1-CD2 3.64Å; F127-Y156 HydrophobicContact CE1-CD2 3.64Å; F127-Y156 AromaticContact CE1-CE2 3.42Å; F127-Y156 HydrophobicContact CE1-CE2 3.42Å; F127-Y156 VanDerWaalsContact CE1-CE2 3.42Å; F127-Y156 HydrophobicContact CZ-CD2 4.41Å; F127-Y156 AromaticContact CZ-CE2 3.85Å; F127-Y156 HydrophobicContact CZ-CE2 3.85Å; F127-I228 HydrophobicContact CE2-CD1 4.11Å; F127-I228 HydrophobicContact CE2-CG2 3.99Å; F127-I228 HydrophobicContact CZ-CD1 4.16Å; F127-I228 HydrophobicContact CZ-CG2 4.19Å |
| 128 | W | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.9 | -30.1 | 177.7 | -74.1 | 110 | 0 | 0 | 0 | 113.7 | T124 A125 V131 W132 I139 Y156 W157 H169 I172 I174 L190 I203 | T124-W128 VanDerWaalsContact O-CD1 3.28Å; T124-W128 PolarHBondContact O-N 2.7Å; T124-W128 VanDerWaalsContact O-N 3.15Å; A125-W128 PolarHBondContact O-N 2.67Å; W128-V131 HydrophobicContact CE3-CB 3.85Å; W128-V131 HydrophobicContact CE3-CG1 3.65Å; W128-V131 HydrophobicContact CE3-CG2 4Å; W128-V131 HydrophobicContact CZ3-CB 4.29Å; W128-V131 HydrophobicContact CZ3-CG1 3.67Å; W128-V131 HydrophobicContact CZ3-CG2 4.26Å; W128-V131 PolarHBondContact O-N 2.81Å; W128-W132 WeakPolarHBondContact O-CB 3.5Å; W128-W132 PolarHBondContact O-N 3.15Å; W128-I139 HydrophobicContact CH2-CD1 3.94Å; W128-I139 HydrophobicContact CZ3-CD1 4.08Å; W128-Y156 AromaticContact CZ2-CD2 3.79Å; W128-Y156 HydrophobicContact CZ2-CD2 3.79Å; W128-Y156 HydrophobicContact CZ2-CE2 4.17Å; W128-Y156 WeakPolarHBondContact CZ2-O 3.39Å; W128-Y156 PolarHBondContact NE1-O 2.96Å; W128-W157 HydrophobicContact CZ2-CB 4.14Å; W128-H169 HydrophobicContact CB-CB 3.94Å; W128-H169 AromaticContact CD1-CD2 3.16Å; W128-H169 AromaticContact CD1-CG 3.43Å; W128-H169 VanDerWaalsContact CD1-CG 3.43Å; W128-H169 AromaticContact CD1-NE2 3.96Å; W128-H169 HydrophobicContact CG-CB 3.97Å; W128-H169 AromaticContact NE1-CD2 3.26Å; W128-H169 PolarHBondContact NE1-CD2 2.81Å; W128-H169 VanDerWaalsContact NE1-CD2 3.26Å; W128-H169 AromaticContact NE1-CG 3.99Å; W128-H169 AromaticContact NE1-NE2 3.74Å; W128-I172 HydrophobicContact CB-CB 4.23Å; W128-I172 HydrophobicContact CB-CG1 4.46Å; W128-I174 HydrophobicContact CD2-CD1 3.71Å; W128-I174 HydrophobicContact CD2-CG1 3.69Å; W128-I174 HydrophobicContact CE3-CD1 3.32Å; W128-I174 HydrophobicContact CE3-CG1 3.85Å; W128-I174 HydrophobicContact CG-CD1 4.47Å; W128-I174 HydrophobicContact CG-CG1 4.26Å; W128-I174 HydrophobicContact CH2-CD1 3.94Å; W128-I174 HydrophobicContact CH2-CG1 4.07Å; W128-I174 HydrophobicContact CH2-CG2 4.04Å; W128-I174 HydrophobicContact CZ2-CD1 4.26Å; W128-I174 HydrophobicContact CZ2-CG1 3.9Å; W128-I174 HydrophobicContact CZ2-CG2 4.11Å; W128-I174 HydrophobicContact CZ3-CD1 3.44Å; W128-I174 VanDerWaalsContact CZ3-CD1 3.44Å; W128-I174 HydrophobicContact CZ3-CG1 4.02Å; W128-L190 HydrophobicContact CH2-CD1 3.71Å; W128-L190 HydrophobicContact CZ2-CD1 4.39Å; W128-I203 HydrophobicContact CZ3-CD1 4.06Å |
| 129 | S | 97.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 15% | 0.154 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 168.5 | -171.4 | 0 | 0 | 0 | 0 | 111 | A125 D126 W132 Q133 | A125-S129 WeakPolarHBondContact O-CB 3.31Å; A125-S129 PolarHBondContact O-N 2.82Å; D126-S129 PolarHBondContact O-N 3.42Å; S129-W132 PolarHBondContact O-N 2.95Å; S129-Q133 PolarHBondContact O-N 2.84Å |
| 130 | M | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 173.6 | 177.5 | 175.4 | 74.4 | 0 | 0 | 112.8 | V87 L89 I99 A101 I114 T116 D126 F127 W132 Q133 E134 I228 | V87-M130 HydrophobicContact CB-SD 3.98Å; V87-M130 HydrophobicContact CG1-CG 3.91Å; V87-M130 HydrophobicContact CG1-SD 3.97Å; V87-M130 HydrophobicContact CG2-SD 3.96Å; L89-M130 HydrophobicContact CD2-CB 3.86Å; I99-M130 HydrophobicContact CD1-CB 4.08Å; I99-M130 HydrophobicContact CD1-CE 3.84Å; I99-M130 HydrophobicContact CD1-SD 3.85Å; I99-M130 HydrophobicContact CG1-SD 4.47Å; I99-M130 HydrophobicContact CG2-SD 4.03Å; A101-M130 HydrophobicContact CB-CE 4.03Å; A101-M130 HydrophobicContact CB-SD 3.45Å; A101-M130 WeakPolarHBondContact CB-SD 3.38Å; I114-M130 HydrophobicContact CD1-CG 4.47Å; I114-M130 HydrophobicContact CG2-CE 3.96Å; I114-M130 HydrophobicContact CG2-SD 3.78Å; T116-M130 HydrophobicContact CG2-CE 4.15Å; D126-M130 WeakPolarHBondContact O-CB 3.2Å; D126-M130 PolarHBondContact O-N 2.83Å; F127-M130 HydrophobicContact CD2-CE 3.99Å; F127-M130 HydrophobicContact CE2-CE 4.28Å; F127-M130 WeakPolarHBondContact O-CB 3.3Å; F127-M130 PolarHBondContact O-N 3.35Å; M130-W132 PolarHBondContact O-N 2.99Å; M130-Q133 PolarHBondContact O-N 3.32Å; M130-E134 HydrophobicContact CG-CG 4.25Å; M130-E134 WeakPolarHBondContact O-CB 3.31Å; M130-E134 WeakPolarHBondContact O-CG 3.24Å; M130-E134 PolarHBondContact O-N 2.91Å; M130-I228 HydrophobicContact CE-CD1 3.76Å; M130-I228 HydrophobicContact CE-CG1 4.34Å |
| 131 | V | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.9 | -43 | 176.3 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | F127 W128 V136 I139 I203 I228 | F127-V131 HydrophobicContact CD1-CG2 3.95Å; F127-V131 HydrophobicContact CE1-CG2 3.62Å; F127-V131 HydrophobicContact CZ-CG2 3.99Å; F127-V131 WeakPolarHBondContact O-CG2 3.24Å; F127-V131 PolarHBondContact O-N 2.88Å; W128-V131 HydrophobicContact CE3-CB 3.85Å; W128-V131 HydrophobicContact CE3-CG1 3.65Å; W128-V131 HydrophobicContact CE3-CG2 4Å; W128-V131 HydrophobicContact CZ3-CB 4.29Å; W128-V131 HydrophobicContact CZ3-CG1 3.67Å; W128-V131 HydrophobicContact CZ3-CG2 4.26Å; W128-V131 PolarHBondContact O-N 2.81Å; V131-V136 HydrophobicContact CG1-CB 4.19Å; V131-V136 PolarHBondContact O-N 3.33Å; V131-V136 VanDerWaalsContact O-N 3.17Å; V131-I139 HydrophobicContact CG1-CD1 4.41Å; V131-I139 HydrophobicContact CG2-CD1 3.98Å; V131-I203 HydrophobicContact CG1-CD1 3.49Å; V131-I203 VanDerWaalsContact CG1-CD1 3.49Å; V131-I228 HydrophobicContact CB-CD1 4.46Å; V131-I228 HydrophobicContact CG2-CD1 3.45Å; V131-I228 VanDerWaalsContact CG2-CD1 3.45Å |
| 132 | W | 97.3 | Very high | 96.3 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 9% | 0.087 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.1 | -51 | 179.5 | -173.3 | -89.1 | 0 | 0 | 0 | 112.6 | W128 S129 M130 E134 N135 I172 A192 N194 E199 R201 | W128-W132 WeakPolarHBondContact O-CB 3.5Å; W128-W132 PolarHBondContact O-N 3.15Å; S129-W132 PolarHBondContact O-N 2.95Å; M130-W132 PolarHBondContact O-N 2.99Å; W132-E134 PolarHBondContact O-N 3.06Å; W132-N135 PolarHBondContact O-N 3.49Å; W132-I172 HydrophobicContact CB-CD1 3.75Å; W132-I172 HydrophobicContact CB-CG1 4.13Å; W132-I172 HydrophobicContact CD2-CD1 3.8Å; W132-I172 HydrophobicContact CE3-CD1 4.09Å; W132-I172 HydrophobicContact CE3-CG2 4.37Å; W132-I172 HydrophobicContact CG-CD1 3.6Å; W132-I172 HydrophobicContact CG-CG1 4.49Å; W132-A192 HydrophobicContact CE3-CB 4.17Å; W132-A192 HydrophobicContact CZ3-CB 4.07Å; W132-N194 HydrophobicContact CD2-CB 3.89Å; W132-N194 VanDerWaalsContact CE2-CB 3.47Å; W132-N194 HydrophobicContact CE3-CB 4.13Å; W132-N194 HydrophobicContact CH2-CB 3.66Å; W132-N194 HydrophobicContact CZ2-CB 3.36Å; W132-N194 HydrophobicContact CZ3-CB 4.03Å; W132-N194 PolarHBondContact NE1-ND2 3.33Å; W132-E199 HydrophobicContact CH2-CB 3.88Å; W132-E199 HydrophobicContact CH2-CG 4.06Å; W132-E199 WeakPolarHBondContact CH2-O 3.35Å; W132-E199 HydrophobicContact CZ2-CB 3.86Å; W132-E199 HydrophobicContact CZ2-CG 4.11Å; W132-E199 WeakPolarHBondContact CZ2-OE2 3.19Å; W132-R201 HydrophobicContact CH2-CG 3.88Å; W132-R201 HydrophobicContact CZ3-CB 4.17Å; W132-R201 HydrophobicContact CZ3-CG 3.9Å; W132-R201 PolarHBondContact O-NH1 2.91Å |
| 133 | Q | 97 | Very high | 96.1 | Very high | 42 Ų | 42 | 15.8 Ų | 15.8 | 20% | 0.196 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | -174.8 | 85.9 | -179.7 | 19.2 | 0 | 0 | 111.7 | A88 S129 M130 N135 | A88-Q133 PolarHBondContact O-NE2 3.34Å; S129-Q133 PolarHBondContact O-N 2.84Å; M130-Q133 PolarHBondContact O-N 3.32Å; Q133-N135 PolarHBondContact O-N 3.2Å |
| 134 | E | 96.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 19.3 Ų | 19.3 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 11.3 | -174.9 | -51.9 | -58.6 | 178.7 | 0 | 0 | 113.9 | V87 W103 I114 M130 W132 V136 T226 | V87-E134 HydrophobicContact CG1-CG 4.16Å; V87-E134 VanDerWaalsContact CG1-OE1 3.29Å; V87-E134 WeakPolarHBondContact CG1-OE1 3.34Å; W103-E134 HydrophobicContact CH2-CB 4.25Å; W103-E134 HydrophobicContact CH2-CG 4.5Å; W103-E134 HydrophobicContact CZ2-CB 4.19Å; W103-E134 HydrophobicContact CZ2-CG 3.96Å; W103-E134 WeakPolarHBondContact CZ2-OE2 3.43Å; I114-E134 HydrophobicContact CD1-CB 3.78Å; I114-E134 HydrophobicContact CD1-CG 3.75Å; M130-E134 HydrophobicContact CG-CG 4.25Å; M130-E134 WeakPolarHBondContact O-CB 3.31Å; M130-E134 WeakPolarHBondContact O-CG 3.24Å; M130-E134 PolarHBondContact O-N 2.91Å; W132-E134 PolarHBondContact O-N 3.06Å; E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 HydrophobicContact CB-CG2 4.2Å; E134-V136 PolarHBondContact O-N 3.5Å; E134-T226 HydrophobicContact CB-CG2 4.22Å; E134-T226 VanDerWaalsContact O-CB 3.31Å; E134-T226 WeakPolarHBondContact O-CB 3.48Å; E134-T226 PolarHBondContact O-OG1 2.79Å |
| 135 | N | 94.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 21.4 Ų | 21.4 | 54% | 0.535 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 48 | 178.8 | -165.7 | 32.5 | 0 | 0 | 0 | 113.2 | W132 Q133 S137 R201 | W132-N135 PolarHBondContact O-N 3.49Å; Q133-N135 PolarHBondContact O-N 3.2Å; N135-S137 PolarHBondContact O-N 3.01Å; N135-R201 PolarHBondContact OD1-NH1 2.93Å |
| 136 | V | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 123.9 | -175.6 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | I114 V131 E134 L138 I139 T226 I228 | I114-V136 HydrophobicContact CD1-CG2 4.5Å; V131-V136 HydrophobicContact CG1-CB 4.19Å; V131-V136 PolarHBondContact O-N 3.33Å; V131-V136 VanDerWaalsContact O-N 3.17Å; E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 HydrophobicContact CB-CG2 4.2Å; E134-V136 PolarHBondContact O-N 3.5Å; V136-L138 VanDerWaalsContact CG1-O 3.24Å; V136-L138 WeakPolarHBondContact CG1-O 3.45Å; V136-I139 HydrophobicContact CG1-CG1 4.02Å; V136-T226 HydrophobicContact CG2-CG2 3.78Å; V136-I228 HydrophobicContact CB-CD1 4.42Å; V136-I228 HydrophobicContact CG1-CB 4.36Å; V136-I228 HydrophobicContact CG1-CD1 4.08Å; V136-I228 HydrophobicContact CG1-CG1 4.07Å; V136-I228 HydrophobicContact CG2-CD1 3.8Å; V136-I228 HydrophobicContact CG2-CG1 3.96Å |
| 137 | S | 91 | Very high | 94.6 | Very high | 36 Ų | 36 | 27.1 Ų | 27.1 | 25% | 0.252 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -23.4 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | N135 Q204 T226 | N135-S137 PolarHBondContact O-N 3.01Å; S137-Q204 PolarHBondContact O-N 3.05Å; S137-T226 PolarHBondContact N-O 2.92Å |
| 138 | L | 94 | Very high | 94 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 130.8 | -176.4 | 171.7 | 62.3 | 0 | 0 | 0 | 111.6 | V136 V140 Q204 Y206 P217 I227 I228 | V136-L138 VanDerWaalsContact CG1-O 3.24Å; V136-L138 WeakPolarHBondContact CG1-O 3.45Å; L138-V140 HydrophobicContact CD1-CG2 4.22Å; L138-V140 HydrophobicContact CD2-CG2 4.12Å; L138-V140 HydrophobicContact CG-CG2 3.97Å; L138-Q204 CarbonylContact C-O 3.59Å; L138-Q204 WeakPolarHBondContact CA-O 3.42Å; L138-Q204 HydrophobicContact CD1-CB 3.83Å; L138-Y206 HydrophobicContact CD1-CD2 3.5Å; L138-Y206 VanDerWaalsContact CD1-CD2 3.5Å; L138-Y206 HydrophobicContact CD1-CE2 4.15Å; L138-Y206 HydrophobicContact CD1-CG 4.41Å; L138-P217 HydrophobicContact CD2-CB 4.01Å; L138-P217 HydrophobicContact CD2-CG 4.44Å; L138-I227 HydrophobicContact CB-CG1 4.27Å; L138-I227 HydrophobicContact CB-CG2 4.44Å; L138-I227 HydrophobicContact CD2-CD1 4.04Å; L138-I227 HydrophobicContact CD2-CG1 4.27Å; L138-I227 HydrophobicContact CD2-CG2 4.13Å; L138-I227 HydrophobicContact CG-CG2 4.11Å; L138-I227 WeakPolarHBondContact O-CA 3.2Å; L138-I228 PolarHBondContact O-N 2.98Å |
| 139 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.2 | 170 | -58.3 | 169.2 | 0 | 0 | 0 | 107.8 | F127 W128 V131 V136 Y156 I203 Q204 H205 Y206 I228 | F127-I139 HydrophobicContact CE1-CD1 4.09Å; F127-I139 HydrophobicContact CZ-CD1 4.16Å; F127-I139 HydrophobicContact CZ-CG2 4.11Å; W128-I139 HydrophobicContact CH2-CD1 3.94Å; W128-I139 HydrophobicContact CZ3-CD1 4.08Å; V131-I139 HydrophobicContact CG1-CD1 4.41Å; V131-I139 HydrophobicContact CG2-CD1 3.98Å; V136-I139 HydrophobicContact CG1-CG1 4.02Å; I139-Y156 WeakPolarHBondContact CG2-OH 3.4Å; I139-I203 HydrophobicContact CD1-CG2 3.94Å; I139-I203 HydrophobicContact CG1-CG2 4.03Å; I139-Q204 PolarHBondContact N-O 2.81Å; I139-H205 WeakPolarHBondContact O-CA 3.35Å; I139-Y206 PolarHBondContact O-N 3.32Å; I139-I228 HydrophobicContact CG1-CB 4.32Å; I139-I228 HydrophobicContact CG2-CB 4.42Å; I139-I228 HydrophobicContact CG2-CG2 4.09Å |
| 140 | V | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 105.7 | 174.2 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | L138 L142 Y208 I227 I228 V229 H230 L241 | L138-V140 HydrophobicContact CD1-CG2 4.22Å; L138-V140 HydrophobicContact CD2-CG2 4.12Å; L138-V140 HydrophobicContact CG-CG2 3.97Å; V140-L142 HydrophobicContact CG1-CD2 3.63Å; V140-L142 HydrophobicContact CG1-CG 4.01Å; V140-Y208 HydrophobicContact CG1-CD2 3.9Å; V140-Y208 HydrophobicContact CG1-CE2 3.77Å; V140-I227 HydrophobicContact CG2-CG2 4.04Å; V140-I228 PolarHBondContact N-O 3.2Å; V140-V229 HydrophobicContact CB-CG2 4.48Å; V140-H230 PolarHBondContact O-N 2.92Å; V140-L241 HydrophobicContact CG1-CD2 4.05Å |
| 141 | C | 95 | Very high | 93 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.8 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | T143 Y206 L207 Y208 H230 | C141-T143 PolarHBondContact SG-O 2.85Å; C141-T143 VanDerWaalsContact SG-O 3.36Å; C141-Y206 PolarHBondContact N-O 3.39Å; C141-L207 HydrophobicContact CB-CD1 4Å; C141-L207 VanDerWaalsContact SG-CD1 3.51Å; C141-Y208 PolarHBondContact O-N 2.9Å; C141-H230 VanDerWaalsContact CB-NE2 3.31Å; C141-H230 WeakPolarHBondContact CB-NE2 3.14Å; C141-H230 PolarHBondContact SG-CE1 2.86Å; C141-H230 PolarHBondContact SG-NE2 3.29Å; C141-H230 VanDerWaalsContact SG-NE2 3.39Å |
| 142 | L | 93 | Very high | 92.8 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -113.2 | 27.8 | -172.8 | -59.8 | 166 | 0 | 0 | 0 | 112.8 | V140 Y208 W211 V229 H230 C231 R237 L241 | V140-L142 HydrophobicContact CG1-CD2 3.63Å; V140-L142 HydrophobicContact CG1-CG 4.01Å; L142-Y208 HydrophobicContact CD2-CD2 3.7Å; L142-Y208 HydrophobicContact CD2-CE2 4.27Å; L142-Y208 HydrophobicContact CD2-CG 4.02Å; L142-W211 HydrophobicContact CB-CE3 4.38Å; L142-W211 HydrophobicContact CB-CZ3 3.76Å; L142-W211 HydrophobicContact CD1-CH2 3.82Å; L142-W211 HydrophobicContact CD1-CZ3 3.69Å; L142-W211 HydrophobicContact CD2-CE3 4.16Å; L142-W211 HydrophobicContact CD2-CH2 3.99Å; L142-W211 HydrophobicContact CD2-CZ3 3.58Å; L142-W211 HydrophobicContact CG-CH2 4.37Å; L142-W211 HydrophobicContact CG-CZ3 3.87Å; L142-V229 HydrophobicContact CD1-CG1 3.47Å; L142-V229 VanDerWaalsContact CD1-CG1 3.47Å; L142-V229 HydrophobicContact CG-CG1 4.47Å; L142-H230 VanDerWaalsContact CB-O 3.3Å; L142-H230 WeakPolarHBondContact CB-O 3.39Å; L142-H230 PolarHBondContact N-O 3.38Å; L142-C231 HydrophobicContact CB-CB 4.09Å; L142-R237 WeakPolarHBondContact O-CD 3.42Å; L142-R237 PolarHBondContact O-NH1 3.24Å; L142-L241 HydrophobicContact CD1-CB 4.34Å; L142-L241 HydrophobicContact CD1-CD2 4.2Å; L142-L241 HydrophobicContact CD2-CD1 4.35Å; L142-L241 HydrophobicContact CD2-CD2 4.32Å | ||
| 143 | T | 91 | Very high | 92.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -153.8 | 137.5 | -176.9 | -161.6 | 0 | 0 | 0 | 0 | 110.8 | C141 E147 K152 T153 | C141-T143 PolarHBondContact SG-O 2.85Å; C141-T143 VanDerWaalsContact SG-O 3.36Å; T143-E147 WeakPolarHBondContact CA-OE1 3.26Å; T143-E147 WeakPolarHBondContact CB-OE1 3.16Å; T143-E147 VanDerWaalsContact OG1-CD 3.32Å; T143-E147 PolarHBondContact OG1-OE1 3.04Å; T143-K152 HydrophobicContact CG2-CB 4.1Å; T143-K152 WeakPolarHBondContact OG1-CB 3.36Å; T143-T153 HydrophobicContact CG2-CG2 3.82Å |
| 144 | K | 90.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | trans | -70.7 | 158.2 | 172.1 | -59.3 | -177.2 | -170.1 | 179.7 | 0 | 109 | F146 E147 L209 D210 | K144-F146 WeakPolarHBondContact CB-O 3.47Å; K144-F146 PolarHBondContact O-N 3.03Å; K144-E147 HydrophobicContact CB-CG 3.99Å; K144-E147 PolarHBondContact N-OE1 3.3Å; K144-L209 WeakPolarHBondContact CE-O 3.37Å; K144-D210 WeakPolarHBondContact CE-OD1 3.17Å; K144-D210 IonicContact NZ-OD1 2.81Å; K144-D210 PolarHBondContact NZ-OD1 2.75Å | ||
| 145 | I | 91.2 | Very high | 92.6 | Very high | 50 Ų | 50 | 53 Ų | 53 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -53.3 | -46.7 | 175.4 | -60.6 | 166.3 | 0 | 0 | 0 | 110 | M151 K152 T153 E155 | I145-M151 CarbonylContact O-C 3.58Å; I145-M151 WeakPolarHBondContact O-CA 3.18Å; I145-K152 PolarHBondContact O-N 3.24Å; I145-T153 HydrophobicContact CG1-CG2 4.32Å; I145-T153 WeakPolarHBondContact CG2-O 3.42Å; I145-T153 PolarHBondContact O-N 2.98Å; I145-E155 HydrophobicContact CD1-CG 3.49Å; I145-E155 VanDerWaalsContact CD1-CG 3.49Å; I145-E155 HydrophobicContact CG1-CG 4.39Å |
| 146 | F | 90.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 48.2 Ų | 48.2 | 52% | 0.522 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.8 | 172.9 | -66.8 | -84.9 | 0 | 0 | 0 | 111.3 | K144 K150 M151 | K144-F146 WeakPolarHBondContact CB-O 3.47Å; K144-F146 PolarHBondContact O-N 3.03Å; F146-K150 WeakPolarHBondContact CA-O 3.28Å; F146-M151 HydrophobicContact CD1-CB 4.17Å; F146-M151 HydrophobicContact CE1-CB 3.88Å; F146-M151 HydrophobicContact CE1-CE 4.1Å; F146-M151 HydrophobicContact CE1-CG 4.43Å; F146-M151 HydrophobicContact CZ-CE 3.72Å |
| 147 | E | 87.2 | Confident | 92.7 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.6 | 169.7 | -62.7 | 177.7 | -167.6 | 0 | 0 | 108.7 | T143 K144 G149 K150 K152 R237 | T143-E147 WeakPolarHBondContact CA-OE1 3.26Å; T143-E147 WeakPolarHBondContact CB-OE1 3.16Å; T143-E147 VanDerWaalsContact OG1-CD 3.32Å; T143-E147 PolarHBondContact OG1-OE1 3.04Å; K144-E147 HydrophobicContact CB-CG 3.99Å; K144-E147 PolarHBondContact N-OE1 3.3Å; E147-G149 VanDerWaalsContact C-N 3.26Å; E147-G149 PolarHBondContact O-N 2.92Å; E147-K150 PolarHBondContact N-O 3.24Å; E147-K150 PolarHBondContact O-N 3.43Å; E147-K152 HydrophobicContact CB-CG 3.81Å; E147-K152 HydrophobicContact CG-CG 3.9Å; E147-R237 IonicContact OE1-CZ 2.67Å; E147-R237 IonicContact OE1-NH1 2.77Å; E147-R237 PolarHBondContact OE1-NH1 2.87Å; E147-R237 IonicContact OE1-NH2 3.67Å; E147-R237 IonicContact OE2-CZ 2.73Å; E147-R237 IonicContact OE2-NH1 3.92Å; E147-R237 PolarHBondContact OE2-NH1 3.21Å; E147-R237 IonicContact OE2-NH2 3.23Å; E147-R237 PolarHBondContact OE2-NH2 2.94Å |
| 148 | Q | 87 | Confident | 92.9 | Very high | 189 Ų | 189 | 47.1 Ų | 47.1 | 88% | 0.883 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.8 | -177.1 | -60.1 | 173.5 | -17.8 | 0 | 0 | 112.4 | K150 | Q148-K150 PolarHBondContact O-N 3.46Å; Q148-K150 VanDerWaalsContact O-N 3.08Å |
| 149 | G | 88.7 | Confident | 92.9 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 75% | 0.753 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | -6.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | E147 | E147-G149 VanDerWaalsContact C-N 3.26Å; E147-G149 PolarHBondContact O-N 2.92Å |
| 150 | K | 90.6 | Very high | 92.7 | Very high | 145 Ų | 145 | 52.4 Ų | 52.4 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.6 | -179.3 | -64.7 | -178.4 | -178.8 | 179.1 | 0 | 110.7 | F146 E147 Q148 K152 | F146-K150 WeakPolarHBondContact CA-O 3.28Å; E147-K150 PolarHBondContact N-O 3.24Å; E147-K150 PolarHBondContact O-N 3.43Å; Q148-K150 PolarHBondContact O-N 3.46Å; Q148-K150 VanDerWaalsContact O-N 3.08Å; K150-K152 PolarHBondContact O-N 3.04Å |
| 151 | M | 92.6 | Very high | 92.5 | Very high | 102 Ų | 102 | 55.5 Ų | 55.5 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.9 | 171.9 | -172.8 | -177.4 | -73.9 | 0 | 0 | 110 | I145 F146 T153 | I145-M151 CarbonylContact O-C 3.58Å; I145-M151 WeakPolarHBondContact O-CA 3.18Å; F146-M151 HydrophobicContact CD1-CB 4.17Å; F146-M151 HydrophobicContact CE1-CB 3.88Å; F146-M151 HydrophobicContact CE1-CE 4.1Å; F146-M151 HydrophobicContact CE1-CG 4.43Å; F146-M151 HydrophobicContact CZ-CE 3.72Å; M151-T153 VanDerWaalsContact CG-O 3.28Å; M151-T153 WeakPolarHBondContact CG-O 3.28Å |
| 152 | K | 94.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | trans | -105.3 | -31.3 | 179.8 | -58.3 | -63.6 | -171.6 | 169.1 | 0 | 112.8 | A118 T143 I145 E147 K150 S232 | A118-K152 WeakPolarHBondContact CB-O 3.41Å; T143-K152 HydrophobicContact CG2-CB 4.1Å; T143-K152 WeakPolarHBondContact OG1-CB 3.36Å; I145-K152 PolarHBondContact O-N 3.24Å; E147-K152 HydrophobicContact CB-CG 3.81Å; E147-K152 HydrophobicContact CG-CG 3.9Å; K150-K152 PolarHBondContact O-N 3.04Å; K152-S232 PolarHBondContact O-OG 3.26Å | ||
| 153 | T | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | trans | -146.6 | 178.2 | 174.7 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | T143 I145 M151 | T143-T153 HydrophobicContact CG2-CG2 3.82Å; I145-T153 HydrophobicContact CG1-CG2 4.32Å; I145-T153 WeakPolarHBondContact CG2-O 3.42Å; I145-T153 PolarHBondContact O-N 2.98Å; M151-T153 VanDerWaalsContact CG-O 3.28Å; M151-T153 WeakPolarHBondContact CG-O 3.28Å | ||
| 154 | L | 95.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | trans | -127.4 | 170.1 | 169.9 | 67.7 | 102.3 | 0 | 0 | 0 | 110.8 | P119 P121 Y156 | P119-L154 WeakPolarHBondContact O-CD2 3.43Å; P121-L154 HydrophobicContact CG-CD2 3.96Å; P121-L154 VanDerWaalsContact N-CD2 3.29Å; L154-Y156 WeakPolarHBondContact O-CD1 3.46Å; L154-Y156 PolarHBondContact O-N 3.26Å | ||
| 155 | E | 95.6 | Very high | 91.2 | Very high | 93 Ų | 93 | 72.2 Ų | 72.2 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | trans | -75.7 | 69.6 | 175.7 | -61.6 | -171.8 | 146.3 | 0 | 0 | 111.8 | I145 W157 T159 Q167 | I145-E155 HydrophobicContact CD1-CG 3.49Å; I145-E155 VanDerWaalsContact CD1-CG 3.49Å; I145-E155 HydrophobicContact CG1-CG 4.39Å; E155-W157 PolarHBondContact O-N 3.43Å; E155-W157 VanDerWaalsContact O-N 3.09Å; E155-T159 HydrophobicContact CG-CG2 4.31Å; E155-T159 WeakPolarHBondContact OE1-CG2 3.47Å; E155-Q167 PolarHBondContact O-NE2 3.4Å | ||
| 156 | Y | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -70.8 | 0.7 | 179 | 62.9 | -99.1 | 0 | 0 | 0 | 113.3 | P119 F127 W128 I139 L154 Q167 H169 H205 H230 | P119-Y156 HydrophobicContact CB-CD1 4.16Å; P119-Y156 HydrophobicContact CB-CG 4.3Å; P119-Y156 HydrophobicContact CG-CD1 3.65Å; P119-Y156 HydrophobicContact CG-CD2 4.48Å; P119-Y156 HydrophobicContact CG-CE1 4.05Å; P119-Y156 HydrophobicContact CG-CG 3.89Å; F127-Y156 HydrophobicContact CD1-CD2 4.02Å; F127-Y156 HydrophobicContact CD1-CE2 4.25Å; F127-Y156 AromaticContact CE1-CD2 3.64Å; F127-Y156 HydrophobicContact CE1-CD2 3.64Å; F127-Y156 AromaticContact CE1-CE2 3.42Å; F127-Y156 HydrophobicContact CE1-CE2 3.42Å; F127-Y156 VanDerWaalsContact CE1-CE2 3.42Å; F127-Y156 HydrophobicContact CZ-CD2 4.41Å; F127-Y156 AromaticContact CZ-CE2 3.85Å; F127-Y156 HydrophobicContact CZ-CE2 3.85Å; W128-Y156 AromaticContact CZ2-CD2 3.79Å; W128-Y156 HydrophobicContact CZ2-CD2 3.79Å; W128-Y156 HydrophobicContact CZ2-CE2 4.17Å; W128-Y156 WeakPolarHBondContact CZ2-O 3.39Å; W128-Y156 PolarHBondContact NE1-O 2.96Å; I139-Y156 WeakPolarHBondContact CG2-OH 3.4Å; L154-Y156 WeakPolarHBondContact O-CD1 3.46Å; L154-Y156 PolarHBondContact O-N 3.26Å; Y156-Q167 VanDerWaalsContact C-OE1 3.23Å; Y156-Q167 PolarHBondContact O-OE1 3.43Å; Y156-H169 PolarHBondContact O-NE2 3.07Å; Y156-H205 AromaticContact CE2-NE2 3.88Å; Y156-H205 AromaticContact CZ-NE2 3.52Å; Y156-H205 PolarHBondContact OH-CD2 3.18Å; Y156-H205 PolarHBondContact OH-NE2 3.14Å; Y156-H230 AromaticContact CE1-CE1 3.77Å; Y156-H230 AromaticContact CE1-NE2 3.44Å; Y156-H230 WeakPolarHBondContact CE1-NE2 3.39Å; Y156-H230 AromaticContact CZ-NE2 3.47Å; Y156-H230 PolarHBondContact OH-NE2 3.04Å | ||
| 157 | W | 96.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -130.7 | 152.4 | 175.9 | 72.7 | 99 | 0 | 0 | 0 | 109.6 | W128 E155 T159 Q167 L190 H205 L207 | W128-W157 HydrophobicContact CZ2-CB 4.14Å; E155-W157 PolarHBondContact O-N 3.43Å; E155-W157 VanDerWaalsContact O-N 3.09Å; W157-T159 HydrophobicContact CZ2-CG2 4.45Å; W157-T159 PolarHBondContact O-N 3.49Å; W157-Q167 PolarHBondContact O-NE2 3.14Å; W157-L190 HydrophobicContact CB-CD1 3.96Å; W157-L190 HydrophobicContact CB-CD2 4.34Å; W157-L190 HydrophobicContact CG-CD1 4.5Å; W157-H205 AromaticContact CD2-CE1 3.68Å; W157-H205 AromaticContact CD2-NE2 3.71Å; W157-H205 AromaticContact CE2-CE1 3.48Å; W157-H205 VanDerWaalsContact CE2-CE1 3.48Å; W157-H205 AromaticContact CE3-CE1 3.86Å; W157-H205 AromaticContact CE3-NE2 3.58Å; W157-H205 AromaticContact CH2-CE1 3.74Å; W157-H205 AromaticContact CZ2-CE1 3.52Å; W157-H205 AromaticContact CZ3-CE1 3.89Å; W157-H205 AromaticContact CZ3-NE2 3.81Å; W157-L207 HydrophobicContact CH2-CD2 4.4Å; W157-L207 HydrophobicContact CZ2-CD2 4.22Å |
| 158 | P | 95.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | trans | -66.8 | 124.7 | 173.3 | 25.9 | -32.7 | 0 | 0 | 0 | 111.2 | Q167 I174 N176 | P158-Q167 HydrophobicContact CB-CG 4.31Å; P158-I174 HydrophobicContact CG-CG2 4.1Å; P158-N176 HydrophobicContact CB-CB 4.41Å; P158-N176 HydrophobicContact CG-CB 4.14Å; P158-N176 WeakPolarHBondContact O-CB 3.43Å; P158-N176 PolarHBondContact O-ND2 3.04Å | ||
| 159 | T | 92.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | trans | -82.8 | -26.1 | 179.4 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | E155 W157 N176 | E155-T159 HydrophobicContact CG-CG2 4.31Å; E155-T159 WeakPolarHBondContact OE1-CG2 3.47Å; W157-T159 HydrophobicContact CZ2-CG2 4.45Å; W157-T159 PolarHBondContact O-N 3.49Å; T159-N176 PolarHBondContact O-ND2 3.14Å; T159-N176 VanDerWaalsContact O-ND2 3.14Å | ||
| 160 | S | 93.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -94.9 | 138.4 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | F165 | S160-F165 VanDerWaalsContact O-CB 3.3Å; S160-F165 WeakPolarHBondContact O-CB 3.35Å |
| 161 | C | 89.3 | Confident | 92.8 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 45% | 0.446 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 134.8 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | F165 N176 | C161-F165 VanDerWaalsContact O-CD2 3.32Å; C161-F165 WeakPolarHBondContact O-CD2 3.29Å; C161-N176 PolarHBondContact SG-OD1 3.27Å |
| 162 | G | 82.6 | Confident | 93.1 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 153.6 | 162.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q164 F165 | G162-Q164 VanDerWaalsContact C-N 3.29Å; G162-Q164 PolarHBondContact O-N 3.48Å; G162-F165 PolarHBondContact O-N 3.29Å |
| 163 | K | 82.4 | Confident | 93.2 | Very high | 189 Ų | 189 | 57.9 Ų | 57.9 | 82% | 0.822 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.7 | -30.4 | 178 | -71.5 | -175 | -179.4 | 177.9 | 0 | 112.4 | ||
| 164 | Q | 87.4 | Confident | 93.4 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71.7 | -33.6 | 177.2 | 68.8 | -79.7 | 28.4 | 0 | 0 | 112.5 | G162 H166 | G162-Q164 VanDerWaalsContact C-N 3.29Å; G162-Q164 PolarHBondContact O-N 3.48Å; Q164-H166 PolarHBondContact O-N 3.5Å; Q164-H166 VanDerWaalsContact O-N 3.15Å; Q164-H166 PolarHBondContact O-ND1 3.28Å |
| 165 | F | 89.5 | Confident | 93.4 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | trans | -85.2 | 90.4 | -178.4 | -56.6 | -66 | 0 | 0 | 0 | 110.5 | S160 C161 G162 | S160-F165 VanDerWaalsContact O-CB 3.3Å; S160-F165 WeakPolarHBondContact O-CB 3.35Å; C161-F165 VanDerWaalsContact O-CD2 3.32Å; C161-F165 WeakPolarHBondContact O-CD2 3.29Å; G162-F165 PolarHBondContact O-N 3.29Å | ||
| 166 | H | 91.9 | Very high | 93.5 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.1 | 174.6 | 74.2 | -67.6 | 0 | 0 | 0 | 110.3 | Q164 I174 R175 | Q164-H166 PolarHBondContact O-N 3.5Å; Q164-H166 VanDerWaalsContact O-N 3.15Å; Q164-H166 PolarHBondContact O-ND1 3.28Å; H166-I174 VanDerWaalsContact CA-O 3.29Å; H166-I174 WeakPolarHBondContact CA-O 3.43Å; H166-R175 HydrophobicContact CB-CG 3.52Å |
| 167 | Q | 96.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.9 | 169 | -64.1 | 179.4 | -8.1 | 0 | 0 | 108.7 | E155 Y156 W157 P158 H169 I174 | E155-Q167 PolarHBondContact O-NE2 3.4Å; Y156-Q167 VanDerWaalsContact C-OE1 3.23Å; Y156-Q167 PolarHBondContact O-OE1 3.43Å; W157-Q167 PolarHBondContact O-NE2 3.14Å; P158-Q167 HydrophobicContact CB-CG 4.31Å; Q167-H169 WeakPolarHBondContact CB-NE2 3.48Å; Q167-H169 PolarHBondContact OE1-NE2 3.11Å; Q167-I174 PolarHBondContact N-O 2.94Å; Q167-I174 PolarHBondContact O-N 3.27Å |
| 168 | K | 96.4 | Very high | 93.4 | Very high | 109 Ų | 109 | 58.2 Ų | 58.2 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.2 | 172.4 | 179.3 | 176.7 | 176.5 | 162.5 | 0 | 109.4 | G170 E195 | K168-G170 WeakPolarHBondContact CE-O 3.46Å; K168-G170 WeakPolarHBondContact CG-O 3.32Å; K168-E195 WeakPolarHBondContact CE-OE1 3.47Å; K168-E195 VanDerWaalsContact CE-OE2 3.29Å; K168-E195 WeakPolarHBondContact CE-OE2 3.42Å; K168-E195 IonicContact NZ-OE1 2.8Å; K168-E195 PolarHBondContact NZ-OE1 3.04Å; K168-E195 IonicContact NZ-OE2 2.65Å; K168-E195 PolarHBondContact NZ-OE2 3.36Å |
| 169 | H | 96.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 60.8 Ų | 60.8 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 97.6 | -177.8 | -66.6 | -56.6 | 0 | 0 | 0 | 109.2 | T124 W128 Y156 Q167 H171 I172 | T124-H169 WeakPolarHBondContact CG2-CE1 3.07Å; T124-H169 WeakPolarHBondContact CG2-ND1 2.99Å; W128-H169 HydrophobicContact CB-CB 3.94Å; W128-H169 AromaticContact CD1-CD2 3.16Å; W128-H169 AromaticContact CD1-CG 3.43Å; W128-H169 VanDerWaalsContact CD1-CG 3.43Å; W128-H169 AromaticContact CD1-NE2 3.96Å; W128-H169 HydrophobicContact CG-CB 3.97Å; W128-H169 AromaticContact NE1-CD2 3.26Å; W128-H169 PolarHBondContact NE1-CD2 2.81Å; W128-H169 VanDerWaalsContact NE1-CD2 3.26Å; W128-H169 AromaticContact NE1-CG 3.99Å; W128-H169 AromaticContact NE1-NE2 3.74Å; Y156-H169 PolarHBondContact O-NE2 3.07Å; Q167-H169 WeakPolarHBondContact CB-NE2 3.48Å; Q167-H169 PolarHBondContact OE1-NE2 3.11Å; H169-H171 PolarHBondContact O-N 3.42Å; H169-I172 PolarHBondContact N-O 2.93Å; H169-I172 PolarHBondContact O-N 2.82Å; H169-I172 VanDerWaalsContact O-N 3.08Å |
| 170 | G | 94.5 | Very high | 93.3 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -123.8 | -167 | 0 | 0 | 0 | 0 | 0 | 110.3 | K168 | K168-G170 WeakPolarHBondContact CE-O 3.46Å; K168-G170 WeakPolarHBondContact CG-O 3.32Å |
| 171 | H | 95.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 32% | 0.324 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2 | 177.2 | -62.9 | -59.7 | 0 | 0 | 0 | 114.6 | D91 H169 E195 K196 | D91-H171 IonicContact OD2-CD2 2.9Å; D91-H171 PolarHBondContact OD2-CD2 3.1Å; H169-H171 PolarHBondContact O-N 3.42Å; H171-E195 HydrophobicContact CB-CG 4Å; H171-E195 IonicContact CE1-OE1 3.2Å; H171-E195 IonicContact CG-OE1 3.44Å; H171-E195 IonicContact ND1-OE1 2.92Å; H171-E195 PolarHBondContact ND1-OE1 3.39Å; H171-E195 WeakPolarHBondContact O-CG 3.48Å; H171-E195 PolarHBondContact O-N 2.67Å; H171-K196 HydrophobicContact CB-CD 4.46Å; H171-K196 HydrophobicContact CB-CG 4.33Å; H171-K196 WeakPolarHBondContact CD2-CE 3.45Å; H171-K196 PolarHBondContact CD2-NZ 2.88Å; H171-K196 WeakPolarHBondContact NE2-CE 3.41Å; H171-K196 PolarHBondContact NE2-NZ 3.25Å |
| 172 | I | 97.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.4 | -173.1 | -47 | -55.7 | 0 | 0 | 0 | 110 | W128 W132 H169 I174 A192 N194 | W128-I172 HydrophobicContact CB-CB 4.23Å; W128-I172 HydrophobicContact CB-CG1 4.46Å; W132-I172 HydrophobicContact CB-CD1 3.75Å; W132-I172 HydrophobicContact CB-CG1 4.13Å; W132-I172 HydrophobicContact CD2-CD1 3.8Å; W132-I172 HydrophobicContact CE3-CD1 4.09Å; W132-I172 HydrophobicContact CE3-CG2 4.37Å; W132-I172 HydrophobicContact CG-CD1 3.6Å; W132-I172 HydrophobicContact CG-CG1 4.49Å; H169-I172 PolarHBondContact N-O 2.93Å; H169-I172 PolarHBondContact O-N 2.82Å; H169-I172 VanDerWaalsContact O-N 3.08Å; I172-I174 HydrophobicContact CG2-CD1 3.55Å; I172-I174 HydrophobicContact CG2-CG1 4.42Å; I172-A192 HydrophobicContact CG2-CB 4.17Å; I172-N194 HydrophobicContact CD1-CB 3.77Å |
| 173 | H | 97.5 | Very high | 93.3 | Very high | 47 Ų | 47 | 71 Ų | 71 | 22% | 0.218 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121 | 175 | -66.1 | -110.2 | 0 | 0 | 0 | 109.4 | A192 V193 E195 | H173-A192 CarbonylContact O-C 3.48Å; H173-A192 WeakPolarHBondContact O-CA 3.4Å; H173-V193 HydrophobicContact CB-CB 4.4Å; H173-V193 PolarHBondContact N-O 3.44Å; H173-V193 PolarHBondContact O-N 3.47Å; H173-E195 IonicContact CD2-OE2 3.71Å; H173-E195 IonicContact CE1-OE2 3.75Å; H173-E195 IonicContact NE2-OE2 2.78Å; H173-E195 PolarHBondContact NE2-OE2 2.77Å |
| 174 | I | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.8 | -179.6 | -50.7 | -59.1 | 0 | 0 | 0 | 109.7 | W128 P158 H166 Q167 I172 L190 A192 | W128-I174 HydrophobicContact CD2-CD1 3.71Å; W128-I174 HydrophobicContact CD2-CG1 3.69Å; W128-I174 HydrophobicContact CE3-CD1 3.32Å; W128-I174 HydrophobicContact CE3-CG1 3.85Å; W128-I174 HydrophobicContact CG-CD1 4.47Å; W128-I174 HydrophobicContact CG-CG1 4.26Å; W128-I174 HydrophobicContact CH2-CD1 3.94Å; W128-I174 HydrophobicContact CH2-CG1 4.07Å; W128-I174 HydrophobicContact CH2-CG2 4.04Å; W128-I174 HydrophobicContact CZ2-CD1 4.26Å; W128-I174 HydrophobicContact CZ2-CG1 3.9Å; W128-I174 HydrophobicContact CZ2-CG2 4.11Å; W128-I174 HydrophobicContact CZ3-CD1 3.44Å; W128-I174 VanDerWaalsContact CZ3-CD1 3.44Å; W128-I174 HydrophobicContact CZ3-CG1 4.02Å; P158-I174 HydrophobicContact CG-CG2 4.1Å; H166-I174 VanDerWaalsContact CA-O 3.29Å; H166-I174 WeakPolarHBondContact CA-O 3.43Å; Q167-I174 PolarHBondContact N-O 2.94Å; Q167-I174 PolarHBondContact O-N 3.27Å; I172-I174 HydrophobicContact CG2-CD1 3.55Å; I172-I174 HydrophobicContact CG2-CG1 4.42Å; I174-L190 HydrophobicContact CG2-CB 4.31Å; I174-L190 HydrophobicContact CG2-CD1 4.24Å; I174-L190 HydrophobicContact CG2-CD2 4.09Å; I174-L190 HydrophobicContact CG2-CG 4.46Å; I174-A192 HydrophobicContact CD1-CB 3.57Å |
| 175 | R | 97 | Very high | 93.4 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144 | 170.7 | -80.3 | -179.4 | -77.6 | 107.9 | 10.3 | 110.9 | H166 L190 E191 R200 | H166-R175 HydrophobicContact CB-CG 3.52Å; R175-L190 CarbonylContact O-C 3.52Å; R175-L190 WeakPolarHBondContact O-CA 3.12Å; R175-E191 IonicContact CZ-OE2 3.28Å; R175-E191 VanDerWaalsContact CZ-OE2 3.28Å; R175-E191 PolarHBondContact N-O 3.36Å; R175-E191 IonicContact NH1-OE2 3.03Å; R175-E191 PolarHBondContact NH1-OE2 3.33Å; R175-E191 IonicContact NH2-OE2 2.69Å; R175-E191 PolarHBondContact NH2-OE2 3.1Å; R175-E191 PolarHBondContact O-N 3.12Å; R175-R200 VanDerWaalsContact NH2-NH1 3.12Å |
| 176 | N | 96.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.4 | 169.9 | -175.4 | -17.9 | 0 | 0 | 0 | 109.2 | P158 T159 C161 G178 V179 T188 L190 | P158-N176 HydrophobicContact CB-CB 4.41Å; P158-N176 HydrophobicContact CG-CB 4.14Å; P158-N176 WeakPolarHBondContact O-CB 3.43Å; P158-N176 PolarHBondContact O-ND2 3.04Å; T159-N176 PolarHBondContact O-ND2 3.14Å; T159-N176 VanDerWaalsContact O-ND2 3.14Å; C161-N176 PolarHBondContact SG-OD1 3.27Å; N176-G178 PolarHBondContact OD1-N 3.34Å; N176-G178 PolarHBondContact OD1-O 3.26Å; N176-V179 WeakPolarHBondContact ND2-CG2 3.19Å; N176-T188 HydrophobicContact CB-CG2 4.39Å; N176-T188 WeakPolarHBondContact ND2-CG2 3.35Å; N176-L190 HydrophobicContact CB-CD2 4.23Å |
| 177 | I | 95.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 33% | 0.328 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 8.2 | -177.9 | 62.4 | 162.5 | 0 | 0 | 0 | 112.7 | L189 E191 K202 | I177-L189 HydrophobicContact CD1-CD2 3.66Å; I177-L189 HydrophobicContact CD1-CG 3.81Å; I177-L189 HydrophobicContact CG1-CB 4.15Å; I177-L189 HydrophobicContact CG1-CD2 3.9Å; I177-L189 HydrophobicContact CG1-CG 3.74Å; I177-L189 WeakPolarHBondContact CG1-O 3.48Å; I177-L189 PolarHBondContact N-O 3.05Å; I177-E191 HydrophobicContact CD1-CB 4.23Å; I177-E191 HydrophobicContact CG1-CB 4.49Å; I177-E191 HydrophobicContact CG2-CB 3.87Å; I177-K202 HydrophobicContact CD1-CD 4.39Å; I177-K202 HydrophobicContact CD1-CG 4.44Å |
| 178 | G | 95.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | 144.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N176 L189 | N176-G178 PolarHBondContact OD1-N 3.34Å; N176-G178 PolarHBondContact OD1-O 3.26Å; G178-L189 PolarHBondContact O-N 3.32Å |
| 179 | V | 93.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.5 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | N176 N181 L187 T188 | N176-V179 WeakPolarHBondContact ND2-CG2 3.19Å; V179-N181 VanDerWaalsContact CG1-OD1 3.31Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.36Å; V179-L187 CarbonylContact C-O 3.59Å; V179-L187 WeakPolarHBondContact CA-O 3.38Å; V179-T188 HydrophobicContact CG2-CG2 4.15Å |
| 180 | R | 92.3 | Very high | 93.5 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113.3 | 167.8 | 176.8 | 179.7 | 175.4 | -176.6 | -4.2 | 107.9 | E182 L187 | R180-E182 HydrophobicContact CG-CG 4.37Å; R180-E182 IonicContact CZ-OE1 3.09Å; R180-E182 IonicContact NE-OE1 2.68Å; R180-E182 PolarHBondContact NE-OE1 2.83Å; R180-E182 IonicContact NH2-OE1 2.68Å; R180-E182 PolarHBondContact NH2-OE1 3.34Å; R180-L187 HydrophobicContact CB-CB 4.4Å; R180-L187 PolarHBondContact N-O 2.87Å; R180-L187 PolarHBondContact O-N 2.98Å |
| 181 | N | 91.3 | Very high | 93.6 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.7 | 175.8 | -64.4 | -34.2 | 0 | 0 | 0 | 109.6 | V179 | V179-N181 VanDerWaalsContact CG1-OD1 3.31Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.36Å |
| 182 | E | 88.5 | Confident | 93.7 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | trans | -127.8 | 162.2 | 176.7 | -67.7 | -70.7 | 156.9 | 0 | 0 | 108.7 | R180 H184 Y185 | R180-E182 HydrophobicContact CG-CG 4.37Å; R180-E182 IonicContact CZ-OE1 3.09Å; R180-E182 IonicContact NE-OE1 2.68Å; R180-E182 PolarHBondContact NE-OE1 2.83Å; R180-E182 IonicContact NH2-OE1 2.68Å; R180-E182 PolarHBondContact NH2-OE1 3.34Å; E182-H184 PolarHBondContact O-N 3.29Å; E182-Y185 CarbonylContact C-O 3.53Å; E182-Y185 WeakPolarHBondContact CA-O 3.36Å; E182-Y185 HydrophobicContact CB-CD1 4Å; E182-Y185 HydrophobicContact CB-CD2 4.25Å; E182-Y185 HydrophobicContact CB-CE1 3.78Å; E182-Y185 HydrophobicContact CB-CE2 4.05Å; E182-Y185 HydrophobicContact CB-CG 4.23Å; E182-Y185 WeakPolarHBondContact CB-O 2.97Å; E182-Y185 HydrophobicContact CG-CD2 4.43Å; E182-Y185 HydrophobicContact CG-CE1 4.06Å; E182-Y185 HydrophobicContact CG-CE2 3.79Å; E182-Y185 PolarHBondContact N-O 2.45Å; E182-Y185 PolarHBondContact O-N 3.49Å | ||
| 183 | P | 85.7 | Confident | 93.7 | Very high | 100 Ų | 100 | 45.7 Ų | 45.7 | 65% | 0.649 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -56.2 | -30.5 | -172.8 | -28.9 | 36.4 | 0 | 0 | 0 | 115.3 | ||
| 184 | H | 83.5 | Confident | 93.7 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -118.5 | -5.3 | -175.6 | -55.5 | -47.1 | 0 | 0 | 0 | 114.2 | E182 L209 D210 | E182-H184 PolarHBondContact O-N 3.29Å; H184-L209 WeakPolarHBondContact O-CB 3.39Å; H184-L209 PolarHBondContact O-N 2.81Å; H184-D210 PolarHBondContact O-N 2.99Å |
| 185 | Y | 88.7 | Confident | 93.6 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156.8 | 179.2 | 66.8 | -89.5 | 0 | 0 | 0 | 112.4 | E182 L187 Y206 L207 | E182-Y185 CarbonylContact C-O 3.53Å; E182-Y185 WeakPolarHBondContact CA-O 3.36Å; E182-Y185 HydrophobicContact CB-CD1 4Å; E182-Y185 HydrophobicContact CB-CD2 4.25Å; E182-Y185 HydrophobicContact CB-CE1 3.78Å; E182-Y185 HydrophobicContact CB-CE2 4.05Å; E182-Y185 HydrophobicContact CB-CG 4.23Å; E182-Y185 WeakPolarHBondContact CB-O 2.97Å; E182-Y185 HydrophobicContact CG-CD2 4.43Å; E182-Y185 HydrophobicContact CG-CE1 4.06Å; E182-Y185 HydrophobicContact CG-CE2 3.79Å; E182-Y185 PolarHBondContact N-O 2.45Å; E182-Y185 PolarHBondContact O-N 3.49Å; Y185-L187 HydrophobicContact CD2-CB 4.48Å; Y185-L187 HydrophobicContact CE2-CB 4.34Å; Y185-Y206 AromaticContact CD2-CD1 3.7Å; Y185-Y206 HydrophobicContact CD2-CD1 3.7Å; Y185-Y206 AromaticContact CD2-CE1 3.62Å; Y185-Y206 HydrophobicContact CD2-CE1 3.62Å; Y185-Y206 HydrophobicContact CE2-CD1 4.06Å; Y185-Y206 AromaticContact CE2-CE1 3.46Å; Y185-Y206 HydrophobicContact CE2-CE1 3.46Å; Y185-Y206 VanDerWaalsContact CE2-CE1 3.46Å; Y185-Y206 HydrophobicContact CG-CD1 4.34Å; Y185-Y206 HydrophobicContact CG-CE1 4.46Å; Y185-L207 CarbonylContact C-O 3.5Å; Y185-L207 WeakPolarHBondContact CA-O 3.29Å; Y185-L207 WeakPolarHBondContact CB-O 3.23Å |
| 186 | A | 90.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L207 | A186-L207 HydrophobicContact CB-CB 4.45Å; A186-L207 PolarHBondContact N-O 3.16Å; A186-L207 PolarHBondContact O-N 2.77Å |
| 187 | L | 92.8 | Very high | 93.4 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.3 | 170.9 | 168.1 | 55 | 0 | 0 | 0 | 109 | V179 R180 Y185 Q204 H205 Y206 | V179-L187 CarbonylContact C-O 3.59Å; V179-L187 WeakPolarHBondContact CA-O 3.38Å; R180-L187 HydrophobicContact CB-CB 4.4Å; R180-L187 PolarHBondContact N-O 2.87Å; R180-L187 PolarHBondContact O-N 2.98Å; Y185-L187 HydrophobicContact CD2-CB 4.48Å; Y185-L187 HydrophobicContact CE2-CB 4.34Å; L187-Q204 HydrophobicContact CD1-CB 4.17Å; L187-Q204 HydrophobicContact CD1-CG 4.46Å; L187-H205 CarbonylContact C-O 3.53Å; L187-H205 WeakPolarHBondContact CA-O 3.35Å; L187-Y206 HydrophobicContact CB-CE1 4.44Å; L187-Y206 HydrophobicContact CD1-CD2 3.7Å; L187-Y206 HydrophobicContact CD1-CE2 3.5Å; L187-Y206 HydrophobicContact CD1-CG 4.45Å; L187-Y206 HydrophobicContact CD2-CE2 4.13Å; L187-Y206 HydrophobicContact CG-CE2 4.26Å |
| 188 | T | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.1 | 170.1 | -57.1 | 0 | 0 | 0 | 0 | 110 | N176 V179 L190 H205 | N176-T188 HydrophobicContact CB-CG2 4.39Å; N176-T188 WeakPolarHBondContact ND2-CG2 3.35Å; V179-T188 HydrophobicContact CG2-CG2 4.15Å; T188-L190 HydrophobicContact CG2-CD2 3.52Å; T188-L190 HydrophobicContact CG2-CG 3.99Å; T188-H205 PolarHBondContact N-O 2.94Å; T188-H205 PolarHBondContact O-N 2.89Å |
| 189 | L | 95.8 | Very high | 93.6 | Very high | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.4 | 168.4 | -174.2 | 67 | 0 | 0 | 0 | 108.8 | I177 G178 K202 Q204 | I177-L189 HydrophobicContact CD1-CD2 3.66Å; I177-L189 HydrophobicContact CD1-CG 3.81Å; I177-L189 HydrophobicContact CG1-CB 4.15Å; I177-L189 HydrophobicContact CG1-CD2 3.9Å; I177-L189 HydrophobicContact CG1-CG 3.74Å; I177-L189 WeakPolarHBondContact CG1-O 3.48Å; I177-L189 PolarHBondContact N-O 3.05Å; G178-L189 PolarHBondContact O-N 3.32Å; L189-K202 HydrophobicContact CD1-CB 4.5Å; L189-Q204 HydrophobicContact CD1-CG 4.23Å |
| 190 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.2 | -178.9 | -60.2 | 175.8 | 0 | 0 | 0 | 110.6 | W128 W157 I174 R175 N176 T188 K202 I203 H205 | W128-L190 HydrophobicContact CH2-CD1 3.71Å; W128-L190 HydrophobicContact CZ2-CD1 4.39Å; W157-L190 HydrophobicContact CB-CD1 3.96Å; W157-L190 HydrophobicContact CB-CD2 4.34Å; W157-L190 HydrophobicContact CG-CD1 4.5Å; I174-L190 HydrophobicContact CG2-CB 4.31Å; I174-L190 HydrophobicContact CG2-CD1 4.24Å; I174-L190 HydrophobicContact CG2-CD2 4.09Å; I174-L190 HydrophobicContact CG2-CG 4.46Å; R175-L190 CarbonylContact O-C 3.52Å; R175-L190 WeakPolarHBondContact O-CA 3.12Å; N176-L190 HydrophobicContact CB-CD2 4.23Å; T188-L190 HydrophobicContact CG2-CD2 3.52Å; T188-L190 HydrophobicContact CG2-CG 3.99Å; L190-K202 WeakPolarHBondContact O-CA 3.45Å; L190-I203 HydrophobicContact CB-CB 4.4Å; L190-I203 PolarHBondContact N-O 3.04Å; L190-I203 PolarHBondContact O-N 2.82Å; L190-H205 HydrophobicContact CD1-CB 3.86Å; L190-H205 HydrophobicContact CG-CB 4.33Å |
| 191 | E | 96.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 163.5 | -177.1 | 172.9 | -83.5 | 0 | 0 | 108.5 | R175 I177 V193 R200 R201 | R175-E191 IonicContact CZ-OE2 3.28Å; R175-E191 VanDerWaalsContact CZ-OE2 3.28Å; R175-E191 PolarHBondContact N-O 3.36Å; R175-E191 IonicContact NH1-OE2 3.03Å; R175-E191 PolarHBondContact NH1-OE2 3.33Å; R175-E191 IonicContact NH2-OE2 2.69Å; R175-E191 PolarHBondContact NH2-OE2 3.1Å; R175-E191 PolarHBondContact O-N 3.12Å; I177-E191 HydrophobicContact CD1-CB 4.23Å; I177-E191 HydrophobicContact CG1-CB 4.49Å; I177-E191 HydrophobicContact CG2-CB 3.87Å; E191-V193 HydrophobicContact CG-CG2 4.24Å; E191-R200 IonicContact OE2-CZ 3.99Å; E191-R200 IonicContact OE2-NH1 2.84Å; E191-R200 PolarHBondContact OE2-NH1 3.22Å; E191-R201 WeakPolarHBondContact CA-O 3.45Å |
| 192 | A | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W132 I172 H173 I174 R200 R201 I203 | W132-A192 HydrophobicContact CE3-CB 4.17Å; W132-A192 HydrophobicContact CZ3-CB 4.07Å; I172-A192 HydrophobicContact CG2-CB 4.17Å; H173-A192 CarbonylContact O-C 3.48Å; H173-A192 WeakPolarHBondContact O-CA 3.4Å; I174-A192 HydrophobicContact CD1-CB 3.57Å; A192-R200 CarbonylContact O-C 3.54Å; A192-R200 WeakPolarHBondContact O-CA 3.26Å; A192-R201 PolarHBondContact N-O 3.09Å; A192-R201 PolarHBondContact O-N 3.05Å; A192-I203 HydrophobicContact CB-CD1 3.74Å |
| 193 | V | 97.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.6 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | H173 E191 E199 R200 | H173-V193 HydrophobicContact CB-CB 4.4Å; H173-V193 PolarHBondContact N-O 3.44Å; H173-V193 PolarHBondContact O-N 3.47Å; E191-V193 HydrophobicContact CG-CG2 4.24Å; V193-E199 WeakPolarHBondContact CA-O 3.41Å; V193-R200 HydrophobicContact CG1-CG 4.26Å; V193-R200 HydrophobicContact CG2-CG 4.04Å |
| 194 | N | 97.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.4 | 174.5 | -178.7 | -22.4 | 0 | 0 | 0 | 109.7 | W132 I172 K196 N197 M198 E199 | W132-N194 HydrophobicContact CD2-CB 3.89Å; W132-N194 VanDerWaalsContact CE2-CB 3.47Å; W132-N194 HydrophobicContact CE3-CB 4.13Å; W132-N194 HydrophobicContact CH2-CB 3.66Å; W132-N194 HydrophobicContact CZ2-CB 3.36Å; W132-N194 HydrophobicContact CZ3-CB 4.03Å; W132-N194 PolarHBondContact NE1-ND2 3.33Å; I172-N194 HydrophobicContact CD1-CB 3.77Å; N194-K196 PolarHBondContact O-N 3.44Å; N194-K196 VanDerWaalsContact OD1-CB 3.32Å; N194-K196 WeakPolarHBondContact OD1-CB 3.41Å; N194-K196 PolarHBondContact OD1-N 2.94Å; N194-N197 WeakPolarHBondContact CB-OD1 3.43Å; N194-N197 PolarHBondContact O-N 3.25Å; N194-N197 PolarHBondContact O-OD1 3.42Å; N194-M198 VanDerWaalsContact O-CA 3.26Å; N194-M198 WeakPolarHBondContact O-CA 3.32Å; N194-M198 PolarHBondContact O-N 3.35Å; N194-E199 PolarHBondContact N-O 3.48Å |
| 195 | E | 96.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.7 | -176.7 | 74.8 | -169.7 | -179.7 | 0 | 0 | 114 | K168 H171 H173 | K168-E195 WeakPolarHBondContact CE-OE1 3.47Å; K168-E195 VanDerWaalsContact CE-OE2 3.29Å; K168-E195 WeakPolarHBondContact CE-OE2 3.42Å; K168-E195 IonicContact NZ-OE1 2.8Å; K168-E195 PolarHBondContact NZ-OE1 3.04Å; K168-E195 IonicContact NZ-OE2 2.65Å; K168-E195 PolarHBondContact NZ-OE2 3.36Å; H171-E195 HydrophobicContact CB-CG 4Å; H171-E195 IonicContact CE1-OE1 3.2Å; H171-E195 IonicContact CG-OE1 3.44Å; H171-E195 IonicContact ND1-OE1 2.92Å; H171-E195 PolarHBondContact ND1-OE1 3.39Å; H171-E195 WeakPolarHBondContact O-CG 3.48Å; H171-E195 PolarHBondContact O-N 2.67Å; H173-E195 IonicContact CD2-OE2 3.71Å; H173-E195 IonicContact CE1-OE2 3.75Å; H173-E195 IonicContact NE2-OE2 2.78Å; H173-E195 PolarHBondContact NE2-OE2 2.77Å |
| 196 | K | 95.1 | Very high | 95.7 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -32.2 | 177.4 | -68.6 | 179.6 | 163.8 | 168.6 | 0 | 113.1 | D91 H171 N194 | D91-K196 IonicContact OD1-NZ 3.89Å; D91-K196 PolarHBondContact OD1-NZ 2.89Å; D91-K196 IonicContact OD2-NZ 3.93Å; D91-K196 PolarHBondContact OD2-NZ 2.84Å; H171-K196 HydrophobicContact CB-CD 4.46Å; H171-K196 HydrophobicContact CB-CG 4.33Å; H171-K196 WeakPolarHBondContact CD2-CE 3.45Å; H171-K196 PolarHBondContact CD2-NZ 2.88Å; H171-K196 WeakPolarHBondContact NE2-CE 3.41Å; H171-K196 PolarHBondContact NE2-NZ 3.25Å; N194-K196 PolarHBondContact O-N 3.44Å; N194-K196 VanDerWaalsContact OD1-CB 3.32Å; N194-K196 WeakPolarHBondContact OD1-CB 3.41Å; N194-K196 PolarHBondContact OD1-N 2.94Å |
| 197 | N | 96.1 | Very high | 95.7 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -1.8 | -175.4 | 74.4 | -8 | 0 | 0 | 0 | 114.5 | N194 E199 | N194-N197 WeakPolarHBondContact CB-OD1 3.43Å; N194-N197 PolarHBondContact O-N 3.25Å; N194-N197 PolarHBondContact O-OD1 3.42Å; N197-E199 WeakPolarHBondContact ND2-CB 3.29Å; N197-E199 PolarHBondContact ND2-OE2 2.79Å; N197-E199 PolarHBondContact O-N 3.44Å; N197-E199 WeakPolarHBondContact OD1-CB 3.42Å; N197-E199 PolarHBondContact OD1-N 2.82Å |
| 198 | M | 96.4 | Very high | 95.5 | Very high | 118 Ų | 118 | 50.7 Ų | 50.7 | 58% | 0.581 | 23% | 0.231 | S | C | * | . | trans | 57.5 | 12.8 | -177 | -59 | -57.2 | -64.1 | 0 | 0 | 115.6 | N194 | N194-M198 VanDerWaalsContact O-CA 3.26Å; N194-M198 WeakPolarHBondContact O-CA 3.32Å; N194-M198 PolarHBondContact O-N 3.35Å | ||
| 199 | E | 97.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | trans | -65.9 | 149.9 | 175 | -170.7 | -166.4 | 158.2 | 0 | 0 | 110.3 | W132 V193 N194 N197 R201 | W132-E199 HydrophobicContact CH2-CB 3.88Å; W132-E199 HydrophobicContact CH2-CG 4.06Å; W132-E199 WeakPolarHBondContact CH2-O 3.35Å; W132-E199 HydrophobicContact CZ2-CB 3.86Å; W132-E199 HydrophobicContact CZ2-CG 4.11Å; W132-E199 WeakPolarHBondContact CZ2-OE2 3.19Å; V193-E199 WeakPolarHBondContact CA-O 3.41Å; N194-E199 PolarHBondContact N-O 3.48Å; N197-E199 WeakPolarHBondContact ND2-CB 3.29Å; N197-E199 PolarHBondContact ND2-OE2 2.79Å; N197-E199 PolarHBondContact O-N 3.44Å; N197-E199 WeakPolarHBondContact OD1-CB 3.42Å; N197-E199 PolarHBondContact OD1-N 2.82Å; E199-R201 VanDerWaalsContact CD-NH2 3.33Å; E199-R201 IonicContact OE1-CZ 3.88Å; E199-R201 IonicContact OE1-NE 3.81Å; E199-R201 PolarHBondContact OE1-NE 2.88Å; E199-R201 IonicContact OE1-NH2 3.49Å; E199-R201 PolarHBondContact OE1-NH2 2.05Å; E199-R201 IonicContact OE2-CZ 2.71Å; E199-R201 IonicContact OE2-NH2 3.91Å; E199-R201 PolarHBondContact OE2-NH2 2.95Å; E199-R201 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 200 | R | 97 | Very high | 93.7 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 53% | 0.525 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.3 | -178.9 | -55.7 | -173.8 | 177.4 | -115 | -7 | 110.8 | R175 E191 A192 V193 | R175-R200 VanDerWaalsContact NH2-NH1 3.12Å; E191-R200 IonicContact OE2-CZ 3.99Å; E191-R200 IonicContact OE2-NH1 2.84Å; E191-R200 PolarHBondContact OE2-NH1 3.22Å; A192-R200 CarbonylContact O-C 3.54Å; A192-R200 WeakPolarHBondContact O-CA 3.26Å; V193-R200 HydrophobicContact CG1-CG 4.26Å; V193-R200 HydrophobicContact CG2-CG 4.04Å |
| 201 | R | 96.4 | Very high | 92.2 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.5 | 176.2 | -62.1 | -174.5 | -171.1 | 163 | 11.5 | 110.7 | W132 N135 E191 A192 E199 | W132-R201 HydrophobicContact CH2-CG 3.88Å; W132-R201 HydrophobicContact CZ3-CB 4.17Å; W132-R201 HydrophobicContact CZ3-CG 3.9Å; W132-R201 PolarHBondContact O-NH1 2.91Å; N135-R201 PolarHBondContact OD1-NH1 2.93Å; E191-R201 WeakPolarHBondContact CA-O 3.45Å; A192-R201 PolarHBondContact N-O 3.09Å; A192-R201 PolarHBondContact O-N 3.05Å; E199-R201 VanDerWaalsContact CD-NH2 3.33Å; E199-R201 IonicContact OE1-CZ 3.88Å; E199-R201 IonicContact OE1-NE 3.81Å; E199-R201 PolarHBondContact OE1-NE 2.88Å; E199-R201 IonicContact OE1-NH2 3.49Å; E199-R201 PolarHBondContact OE1-NH2 2.05Å; E199-R201 IonicContact OE2-CZ 2.71Å; E199-R201 IonicContact OE2-NH2 3.91Å; E199-R201 PolarHBondContact OE2-NH2 2.95Å; E199-R201 VanDerWaalsContact OE2-NH2 3.08Å |
| 202 | K | 95.2 | Very high | 89.9 | Confident | 142 Ų | 142 | 59.1 Ų | 59.1 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.6 | 172.6 | -70.1 | -174.8 | 178.7 | -177.8 | 0 | 109 | I177 L189 L190 | I177-K202 HydrophobicContact CD1-CD 4.39Å; I177-K202 HydrophobicContact CD1-CG 4.44Å; L189-K202 HydrophobicContact CD1-CB 4.5Å; L190-K202 WeakPolarHBondContact O-CA 3.45Å |
| 203 | I | 95.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.2 | -175 | -52.9 | 174.3 | 0 | 0 | 0 | 107.4 | W128 V131 I139 L190 A192 | W128-I203 HydrophobicContact CZ3-CD1 4.06Å; V131-I203 HydrophobicContact CG1-CD1 3.49Å; V131-I203 VanDerWaalsContact CG1-CD1 3.49Å; I139-I203 HydrophobicContact CD1-CG2 3.94Å; I139-I203 HydrophobicContact CG1-CG2 4.03Å; L190-I203 HydrophobicContact CB-CB 4.4Å; L190-I203 PolarHBondContact N-O 3.04Å; L190-I203 PolarHBondContact O-N 2.82Å; A192-I203 HydrophobicContact CB-CD1 3.74Å |
| 204 | Q | 94.6 | Very high | 85.1 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.9 | 170.5 | -68.3 | -178.2 | -29.7 | 0 | 0 | 109.1 | S137 L138 I139 L187 L189 | S137-Q204 PolarHBondContact O-N 3.05Å; L138-Q204 CarbonylContact C-O 3.59Å; L138-Q204 WeakPolarHBondContact CA-O 3.42Å; L138-Q204 HydrophobicContact CD1-CB 3.83Å; I139-Q204 PolarHBondContact N-O 2.81Å; L187-Q204 HydrophobicContact CD1-CB 4.17Å; L187-Q204 HydrophobicContact CD1-CG 4.46Å; L189-Q204 HydrophobicContact CD1-CG 4.23Å |
| 205 | H | 95.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.7 | 174.9 | 177.3 | -82.9 | 0 | 0 | 0 | 108.3 | I139 Y156 W157 L187 T188 L190 | I139-H205 WeakPolarHBondContact O-CA 3.35Å; Y156-H205 AromaticContact CE2-NE2 3.88Å; Y156-H205 AromaticContact CZ-NE2 3.52Å; Y156-H205 PolarHBondContact OH-CD2 3.18Å; Y156-H205 PolarHBondContact OH-NE2 3.14Å; W157-H205 AromaticContact CD2-CE1 3.68Å; W157-H205 AromaticContact CD2-NE2 3.71Å; W157-H205 AromaticContact CE2-CE1 3.48Å; W157-H205 VanDerWaalsContact CE2-CE1 3.48Å; W157-H205 AromaticContact CE3-CE1 3.86Å; W157-H205 AromaticContact CE3-NE2 3.58Å; W157-H205 AromaticContact CH2-CE1 3.74Å; W157-H205 AromaticContact CZ2-CE1 3.52Å; W157-H205 AromaticContact CZ3-CE1 3.89Å; W157-H205 AromaticContact CZ3-NE2 3.81Å; L187-H205 CarbonylContact C-O 3.53Å; L187-H205 WeakPolarHBondContact CA-O 3.35Å; T188-H205 PolarHBondContact N-O 2.94Å; T188-H205 PolarHBondContact O-N 2.89Å; L190-H205 HydrophobicContact CD1-CB 3.86Å; L190-H205 HydrophobicContact CG-CB 4.33Å |
| 206 | Y | 92.9 | Very high | 80.6 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.5 | 175.1 | -90.1 | -100.9 | 0 | 0 | 0 | 108.7 | L138 I139 C141 Y185 L187 P217 | L138-Y206 HydrophobicContact CD1-CD2 3.5Å; L138-Y206 VanDerWaalsContact CD1-CD2 3.5Å; L138-Y206 HydrophobicContact CD1-CE2 4.15Å; L138-Y206 HydrophobicContact CD1-CG 4.41Å; I139-Y206 PolarHBondContact O-N 3.32Å; C141-Y206 PolarHBondContact N-O 3.39Å; Y185-Y206 AromaticContact CD2-CD1 3.7Å; Y185-Y206 HydrophobicContact CD2-CD1 3.7Å; Y185-Y206 AromaticContact CD2-CE1 3.62Å; Y185-Y206 HydrophobicContact CD2-CE1 3.62Å; Y185-Y206 HydrophobicContact CE2-CD1 4.06Å; Y185-Y206 AromaticContact CE2-CE1 3.46Å; Y185-Y206 HydrophobicContact CE2-CE1 3.46Å; Y185-Y206 VanDerWaalsContact CE2-CE1 3.46Å; Y185-Y206 HydrophobicContact CG-CD1 4.34Å; Y185-Y206 HydrophobicContact CG-CE1 4.46Å; L187-Y206 HydrophobicContact CB-CE1 4.44Å; L187-Y206 HydrophobicContact CD1-CD2 3.7Å; L187-Y206 HydrophobicContact CD1-CE2 3.5Å; L187-Y206 HydrophobicContact CD1-CG 4.45Å; L187-Y206 HydrophobicContact CD2-CE2 4.13Å; L187-Y206 HydrophobicContact CG-CE2 4.26Å; Y206-P217 HydrophobicContact CD1-CG 3.83Å; Y206-P217 HydrophobicContact CD2-CG 3.78Å; Y206-P217 HydrophobicContact CE1-CG 3.59Å; Y206-P217 HydrophobicContact CE2-CB 4.18Å; Y206-P217 HydrophobicContact CE2-CG 3.51Å; Y206-P217 HydrophobicContact CG-CG 3.91Å; Y206-P217 VanDerWaalsContact CZ-CG 3.42Å |
| 207 | L | 91.9 | Very high | 78.5 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 106.8 | 166.5 | 174.3 | 61.9 | 0 | 0 | 0 | 108.5 | C141 W157 Y185 A186 L209 | C141-L207 HydrophobicContact CB-CD1 4Å; C141-L207 VanDerWaalsContact SG-CD1 3.51Å; W157-L207 HydrophobicContact CH2-CD2 4.4Å; W157-L207 HydrophobicContact CZ2-CD2 4.22Å; Y185-L207 CarbonylContact C-O 3.5Å; Y185-L207 WeakPolarHBondContact CA-O 3.29Å; Y185-L207 WeakPolarHBondContact CB-O 3.23Å; A186-L207 HydrophobicContact CB-CB 4.45Å; A186-L207 PolarHBondContact N-O 3.16Å; A186-L207 PolarHBondContact O-N 2.77Å; L207-L209 HydrophobicContact CD2-CD2 4.16Å; L207-L209 HydrophobicContact CG-CD2 4.23Å; L207-L209 PolarHBondContact O-N 2.9Å |
| 208 | Y | 87.5 | Confident | 76.3 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.3 | 166.9 | -81.4 | -102.2 | 0 | 0 | 0 | 108.4 | V140 C141 L142 R215 V216 | V140-Y208 HydrophobicContact CG1-CD2 3.9Å; V140-Y208 HydrophobicContact CG1-CE2 3.77Å; C141-Y208 PolarHBondContact O-N 2.9Å; L142-Y208 HydrophobicContact CD2-CD2 3.7Å; L142-Y208 HydrophobicContact CD2-CE2 4.27Å; L142-Y208 HydrophobicContact CD2-CG 4.02Å; Y208-R215 PolarHBondContact OH-O 3.09Å; Y208-V216 WeakPolarHBondContact OH-CA 3.45Å |
| 209 | L | 80.2 | Confident | 74.2 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -77.2 | -59 | 173 | -59.7 | 175.3 | 0 | 0 | 0 | 107.3 | K144 H184 L207 | K144-L209 WeakPolarHBondContact CE-O 3.37Å; H184-L209 WeakPolarHBondContact O-CB 3.39Å; H184-L209 PolarHBondContact O-N 2.81Å; L207-L209 HydrophobicContact CD2-CD2 4.16Å; L207-L209 HydrophobicContact CG-CD2 4.23Å; L207-L209 PolarHBondContact O-N 2.9Å |
| 210 | D | 74.2 | Confident | 72 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | trans | -121.3 | 158.3 | 176.5 | -57.5 | -51.4 | 0 | 0 | 0 | 110.4 | K144 H184 P212 | K144-D210 WeakPolarHBondContact CE-OD1 3.17Å; K144-D210 IonicContact NZ-OD1 2.81Å; K144-D210 PolarHBondContact NZ-OD1 2.75Å; H184-D210 PolarHBondContact O-N 2.99Å; D210-P212 HydrophobicContact CB-CG 4.44Å; D210-P212 VanDerWaalsContact O-CD 3.25Å; D210-P212 WeakPolarHBondContact O-CD 3.2Å | ||
| 211 | W | 63.7 | Low | 69.8 | Low | 64 Ų | 64 | 58.8 Ų | 58.8 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -108.4 | 61 | 176 | -160.7 | -48.8 | 0 | 0 | 0 | 112.8 | L142 R237 L241 F282 | L142-W211 HydrophobicContact CB-CE3 4.38Å; L142-W211 HydrophobicContact CB-CZ3 3.76Å; L142-W211 HydrophobicContact CD1-CH2 3.82Å; L142-W211 HydrophobicContact CD1-CZ3 3.69Å; L142-W211 HydrophobicContact CD2-CE3 4.16Å; L142-W211 HydrophobicContact CD2-CH2 3.99Å; L142-W211 HydrophobicContact CD2-CZ3 3.58Å; L142-W211 HydrophobicContact CG-CH2 4.37Å; L142-W211 HydrophobicContact CG-CZ3 3.87Å; W211-R237 HydrophobicContact CE3-CB 4.27Å; W211-R237 HydrophobicContact CE3-CG 3.78Å; W211-R237 HydrophobicContact CH2-CB 4.02Å; W211-R237 HydrophobicContact CH2-CG 4.29Å; W211-R237 WeakPolarHBondContact CH2-O 3.45Å; W211-R237 HydrophobicContact CZ3-CB 3.47Å; W211-R237 VanDerWaalsContact CZ3-CB 3.47Å; W211-R237 HydrophobicContact CZ3-CG 3.49Å; W211-R237 VanDerWaalsContact CZ3-CG 3.49Å; W211-L241 HydrophobicContact CH2-CB 3.96Å; W211-L241 HydrophobicContact CH2-CD1 3.94Å; W211-L241 HydrophobicContact CZ2-CB 4.23Å; W211-L241 HydrophobicContact CZ2-CD1 3.79Å; W211-F282 AromaticContact CD1-CZ 3.78Å; W211-F282 AromaticContact NE1-CE1 3.69Å; W211-F282 AromaticContact NE1-CZ 3.45Å |
| 212 | P | 49.8 | Very low | 67.7 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | trans | -97.7 | -27.8 | 163.3 | 36.2 | -32.3 | 0 | 0 | 0 | 112.3 | D210 H214 | D210-P212 HydrophobicContact CB-CG 4.44Å; D210-P212 VanDerWaalsContact O-CD 3.25Å; D210-P212 WeakPolarHBondContact O-CD 3.2Å; P212-H214 PolarHBondContact O-CE1 2.74Å | ||
| 213 | D | 41.8 | Very low | 66.1 | Low | 55 Ų | 55 | 68 Ų | 68 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | trans | -101.3 | 108.4 | -168.6 | -151.8 | -31.1 | 0 | 0 | 0 | 111.4 | R215 | D213-R215 PolarHBondContact O-N 2.8Å; D213-R215 IonicContact OD1-CZ 3.46Å; D213-R215 IonicContact OD1-NE 3.48Å; D213-R215 PolarHBondContact OD1-NE 2.84Å; D213-R215 IonicContact OD1-NH2 3.47Å; D213-R215 PolarHBondContact OD1-NH2 3.08Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 IonicContact OD2-NH2 2.72Å; D213-R215 PolarHBondContact OD2-NH2 3.14Å | ||
| 214 | H | 51.8 | Low | 64.6 | Low | 45 Ų | 45 | 72.3 Ų | 72.3 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | trans | -65.1 | -2.3 | -173 | -55.5 | 92.5 | 0 | 0 | 0 | 115.2 | P212 V216 L244 F282 W285 | P212-H214 PolarHBondContact O-CE1 2.74Å; H214-V216 PolarHBondContact O-N 2.83Å; H214-L244 HydrophobicContact CB-CD2 4.44Å; H214-F282 AromaticContact CD2-CZ 3.41Å; H214-F282 VanDerWaalsContact CD2-CZ 3.41Å; H214-F282 WeakPolarHBondContact CD2-CZ 3.38Å; H214-F282 AromaticContact NE2-CE2 3.43Å; H214-F282 WeakPolarHBondContact NE2-CE2 3.44Å; H214-F282 AromaticContact NE2-CZ 3.26Å; H214-F282 VanDerWaalsContact NE2-CZ 3.26Å; H214-F282 WeakPolarHBondContact NE2-CZ 3.43Å; H214-W285 AromaticContact CE1-CH2 3.87Å; H214-W285 AromaticContact CE1-CZ3 3.41Å; H214-W285 VanDerWaalsContact CE1-CZ3 3.41Å; H214-W285 WeakPolarHBondContact CE1-CZ3 3.37Å; H214-W285 AromaticContact NE2-CE3 3.92Å; H214-W285 AromaticContact NE2-CZ3 3.32Å; H214-W285 VanDerWaalsContact NE2-CZ3 3.32Å; H214-W285 WeakPolarHBondContact NE2-CZ3 3.17Å | ||
| 215 | R | 47.8 | Very low | 64.1 | Low | 191 Ų | 191 | 70.5 Ų | 70.5 | 72% | 0.721 | 36% | 0.356 | S | S | * | . | trans | -86.2 | 99.2 | -171.7 | -75.2 | 177.6 | -80.1 | -145 | 0.8 | 111.3 | Y208 D213 | Y208-R215 PolarHBondContact OH-O 3.09Å; D213-R215 PolarHBondContact O-N 2.8Å; D213-R215 IonicContact OD1-CZ 3.46Å; D213-R215 IonicContact OD1-NE 3.48Å; D213-R215 PolarHBondContact OD1-NE 2.84Å; D213-R215 IonicContact OD1-NH2 3.47Å; D213-R215 PolarHBondContact OD1-NH2 3.08Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 IonicContact OD2-NH2 2.72Å; D213-R215 PolarHBondContact OD2-NH2 3.14Å | ||
| 216 | V | 50.4 | Low | 64 | Low | 21 Ų | 21 | 71.4 Ų | 71.4 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 144.2 | 170.8 | -160.8 | 0 | 0 | 0 | 0 | 109.9 | Y208 H214 V218 L241 Q245 | Y208-V216 WeakPolarHBondContact OH-CA 3.45Å; H214-V216 PolarHBondContact O-N 2.83Å; V216-V218 PolarHBondContact O-N 3.45Å; V216-V218 VanDerWaalsContact O-N 3.16Å; V216-L241 HydrophobicContact CG1-CD1 4.28Å; V216-L241 HydrophobicContact CG1-CD2 3.91Å; V216-L241 HydrophobicContact CG1-CG 4.21Å; V216-L241 HydrophobicContact CG2-CD1 3.45Å; V216-L241 VanDerWaalsContact CG2-CD1 3.45Å; V216-L241 HydrophobicContact CG2-CD2 4.5Å; V216-L241 HydrophobicContact CG2-CG 3.92Å; V216-Q245 HydrophobicContact CB-CG 4.13Å; V216-Q245 HydrophobicContact CG1-CG 4.42Å; V216-Q245 HydrophobicContact CG2-CG 3.84Å |
| 217 | P | 50.8 | Low | 64 | Low | 22 Ų | 22 | 70 Ų | 70 | 14% | 0.143 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 122.6 | 171.2 | -29.1 | 36.4 | 0 | 0 | 0 | 111.8 | L138 Y206 | L138-P217 HydrophobicContact CD2-CB 4.01Å; L138-P217 HydrophobicContact CD2-CG 4.44Å; Y206-P217 HydrophobicContact CD1-CG 3.83Å; Y206-P217 HydrophobicContact CD2-CG 3.78Å; Y206-P217 HydrophobicContact CE1-CG 3.59Å; Y206-P217 HydrophobicContact CE2-CB 4.18Å; Y206-P217 HydrophobicContact CE2-CG 3.51Å; Y206-P217 HydrophobicContact CG-CG 3.91Å; Y206-P217 VanDerWaalsContact CZ-CG 3.42Å |
| 218 | V | 51.4 | Low | 64.3 | Low | 117 Ų | 117 | 68.7 Ų | 68.7 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 135.5 | -178.7 | 180 | 0 | 0 | 0 | 0 | 109.5 | V216 T220 | V216-V218 PolarHBondContact O-N 3.45Å; V216-V218 VanDerWaalsContact O-N 3.16Å; V218-T220 HydrophobicContact CB-CG2 4.49Å; V218-T220 HydrophobicContact CG1-CG2 4.5Å; V218-T220 PolarHBondContact O-N 2.74Å |
| 219 | C | 51.5 | Low | 64.7 | Low | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -67.7 | 90.5 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | R110 C111 M225 I227 | R110-C219 HydrophobicContact CB-CB 4.18Å; C111-C219 HydrophobicContact CB-CB 3.88Å; C111-C219 WeakPolarHBondContact CB-SG 3.11Å; C111-C219 WeakPolarHBondContact SG-CB 3.08Å; C111-C219 CovalentContact SG-SG 2.05Å; C111-C219 PolarHBondContact SG-SG 2.71Å; C219-M225 HydrophobicContact CB-CE 3.92Å; C219-I227 WeakPolarHBondContact SG-CD1 3.47Å | ||
| 220 | T | 51 | Low | 65.5 | Low | 121 Ų | 121 | 65 Ų | 65 | 74% | 0.742 | 33% | 0.331 | S | S | * | . | trans | -89.6 | -7.3 | -176.6 | 53 | 0 | 0 | 0 | 0 | 114.6 | V218 | V218-T220 HydrophobicContact CB-CG2 4.49Å; V218-T220 HydrophobicContact CG1-CG2 4.5Å; V218-T220 PolarHBondContact O-N 2.74Å | ||
| 221 | G | 50.9 | Low | 66.4 | Low | 27 Ų | 27 | 61.9 Ų | 61.9 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | trans | -62.4 | 155.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 222 | R | 52.5 | Low | 68 | Low | 228 Ų | 228 | 59.4 Ų | 59.4 | 86% | 0.86 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -80.6 | -22.8 | 171.7 | -75.1 | -175.1 | 172.5 | -166.6 | -4 | 113.3 | ||
| 223 | E | 61.3 | Low | 70.2 | Confident | 159 Ų | 159 | 56.7 Ų | 56.7 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -109.4 | 153.4 | 176.6 | -71.2 | -177.5 | -171.2 | 0 | 0 | 109.9 | M225 | E223-M225 PolarHBondContact O-N 2.82Š|
| 224 | P | 65.4 | Low | 72.9 | Confident | 94 Ų | 94 | 54 Ų | 54 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | trans | -64 | 103.3 | -179.8 | 25.9 | -34 | 0 | 0 | 0 | 110.8 | R110 | R110-P224 WeakPolarHBondContact O-CA 3.42Š| ||
| 225 | M | 84.3 | Confident | 75.1 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137.3 | -178.7 | -65.1 | -167.3 | -59.8 | 0 | 0 | 111.3 | C111 R112 C219 E223 | C111-M225 CarbonylContact C-O 3.58Å; C111-M225 WeakPolarHBondContact CA-O 3.41Å; C111-M225 HydrophobicContact CB-CB 4.41Å; C111-M225 WeakPolarHBondContact CB-O 3.41Å; R112-M225 PolarHBondContact N-O 3.37Å; C219-M225 HydrophobicContact CB-CE 3.92Å; E223-M225 PolarHBondContact O-N 2.82Å |
| 226 | T | 92.6 | Very high | 77.3 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.1 | 167.2 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | W103 R112 I114 E134 V136 S137 | W103-T226 HydrophobicContact CH2-CG2 3.7Å; W103-T226 HydrophobicContact CZ3-CG2 3.81Å; R112-T226 WeakPolarHBondContact O-CA 3.2Å; I114-T226 HydrophobicContact CD1-CG2 3.67Å; I114-T226 HydrophobicContact CG1-CG2 4.09Å; E134-T226 HydrophobicContact CB-CG2 4.22Å; E134-T226 VanDerWaalsContact O-CB 3.31Å; E134-T226 WeakPolarHBondContact O-CB 3.48Å; E134-T226 PolarHBondContact O-OG1 2.79Å; V136-T226 HydrophobicContact CG2-CG2 3.78Å; S137-T226 PolarHBondContact N-O 2.92Å |
| 227 | I | 94.2 | Very high | 79.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.3 | 178.4 | -59.2 | 179.9 | 0 | 0 | 0 | 109.2 | C111 R112 Y113 I114 L138 V140 C219 V229 | C111-I227 HydrophobicContact CB-CD1 3.87Å; C111-I227 HydrophobicContact CB-CG1 4.31Å; R112-I227 PolarHBondContact O-N 2.95Å; Y113-I227 CarbonylContact C-O 3.59Å; Y113-I227 VanDerWaalsContact CA-O 3.29Å; Y113-I227 WeakPolarHBondContact CA-O 3.36Å; Y113-I227 HydrophobicContact CD1-CB 4.03Å; Y113-I227 HydrophobicContact CD1-CG2 4.26Å; Y113-I227 HydrophobicContact CE1-CB 4.38Å; Y113-I227 HydrophobicContact CE1-CD1 4.2Å; I114-I227 PolarHBondContact N-O 2.8Å; L138-I227 HydrophobicContact CB-CG1 4.27Å; L138-I227 HydrophobicContact CB-CG2 4.44Å; L138-I227 HydrophobicContact CD2-CD1 4.04Å; L138-I227 HydrophobicContact CD2-CG1 4.27Å; L138-I227 HydrophobicContact CD2-CG2 4.13Å; L138-I227 HydrophobicContact CG-CG2 4.11Å; L138-I227 WeakPolarHBondContact O-CA 3.2Å; V140-I227 HydrophobicContact CG2-CG2 4.04Å; C219-I227 WeakPolarHBondContact SG-CD1 3.47Å; I227-V229 HydrophobicContact CG2-CG2 3.9Å |
| 228 | I | 97.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133.2 | 165.2 | -76.4 | 170.1 | 0 | 0 | 0 | 108.9 | I114 T116 F127 M130 V131 V136 L138 I139 V140 | I114-I228 HydrophobicContact CB-CG1 3.95Å; I114-I228 HydrophobicContact CD1-CG1 4.43Å; I114-I228 HydrophobicContact CG2-CG1 4.2Å; I114-I228 WeakPolarHBondContact O-CA 3.42Å; T116-I228 HydrophobicContact CG2-CG2 3.85Å; F127-I228 HydrophobicContact CE2-CD1 4.11Å; F127-I228 HydrophobicContact CE2-CG2 3.99Å; F127-I228 HydrophobicContact CZ-CD1 4.16Å; F127-I228 HydrophobicContact CZ-CG2 4.19Å; M130-I228 HydrophobicContact CE-CD1 3.76Å; M130-I228 HydrophobicContact CE-CG1 4.34Å; V131-I228 HydrophobicContact CB-CD1 4.46Å; V131-I228 HydrophobicContact CG2-CD1 3.45Å; V131-I228 VanDerWaalsContact CG2-CD1 3.45Å; V136-I228 HydrophobicContact CB-CD1 4.42Å; V136-I228 HydrophobicContact CG1-CB 4.36Å; V136-I228 HydrophobicContact CG1-CD1 4.08Å; V136-I228 HydrophobicContact CG1-CG1 4.07Å; V136-I228 HydrophobicContact CG2-CD1 3.8Å; V136-I228 HydrophobicContact CG2-CG1 3.96Å; L138-I228 PolarHBondContact O-N 2.98Å; I139-I228 HydrophobicContact CG1-CB 4.32Å; I139-I228 HydrophobicContact CG2-CB 4.42Å; I139-I228 HydrophobicContact CG2-CG2 4.09Å; V140-I228 PolarHBondContact N-O 3.2Å |
| 229 | V | 95.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.5 | 171.7 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | Y113 I114 M115 T116 V140 L142 I227 S238 L241 V242 | Y113-V229 HydrophobicContact CD1-CG2 3.91Å; I114-V229 PolarHBondContact O-N 3.14Å; M115-V229 WeakPolarHBondContact CA-O 3.19Å; T116-V229 PolarHBondContact N-O 3.36Å; V140-V229 HydrophobicContact CB-CG2 4.48Å; L142-V229 HydrophobicContact CD1-CG1 3.47Å; L142-V229 VanDerWaalsContact CD1-CG1 3.47Å; L142-V229 HydrophobicContact CG-CG1 4.47Å; I227-V229 HydrophobicContact CG2-CG2 3.9Å; V229-S238 PolarHBondContact O-OG 3Å; V229-L241 HydrophobicContact CG1-CB 4.34Å; V229-L241 HydrophobicContact CG1-CD2 3.68Å; V229-L241 HydrophobicContact CG2-CD2 4.22Å; V229-V242 HydrophobicContact CB-CG2 4.5Å; V229-V242 HydrophobicContact CG2-CG2 4.22Å |
| 230 | H | 97.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.3 | 179 | 86.6 | 89.2 | 0 | 0 | 0 | 112.3 | T116 V140 C141 L142 Y156 S238 | T116-H230 HydrophobicContact CG2-CB 3.75Å; T116-H230 WeakPolarHBondContact O-CA 3.44Å; T116-H230 WeakPolarHBondContact O-CB 3.2Å; V140-H230 PolarHBondContact O-N 2.92Å; C141-H230 VanDerWaalsContact CB-NE2 3.31Å; C141-H230 WeakPolarHBondContact CB-NE2 3.14Å; C141-H230 PolarHBondContact SG-CE1 2.86Å; C141-H230 PolarHBondContact SG-NE2 3.29Å; C141-H230 VanDerWaalsContact SG-NE2 3.39Å; L142-H230 VanDerWaalsContact CB-O 3.3Å; L142-H230 WeakPolarHBondContact CB-O 3.39Å; L142-H230 PolarHBondContact N-O 3.38Å; Y156-H230 AromaticContact CE1-CE1 3.77Å; Y156-H230 AromaticContact CE1-NE2 3.44Å; Y156-H230 WeakPolarHBondContact CE1-NE2 3.39Å; Y156-H230 AromaticContact CZ-NE2 3.47Å; Y156-H230 PolarHBondContact OH-NE2 3.04Å; H230-S238 VanDerWaalsContact C-OG 3.25Å; H230-S238 WeakPolarHBondContact CA-OG 3.37Å |
| 231 | C | 93.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | trans | -119.9 | -146.4 | 162.5 | 66.4 | 0 | 0 | 0 | 0 | 106.7 | A118 L142 G234 R237 S238 | A118-C231 WeakPolarHBondContact CA-O 3.3Å; A118-C231 WeakPolarHBondContact CB-O 3.25Å; A118-C231 PolarHBondContact N-O 2.92Å; L142-C231 HydrophobicContact CB-CB 4.09Å; C231-G234 PolarHBondContact SG-N 3.37Å; C231-R237 HydrophobicContact CB-CB 3.65Å; C231-S238 PolarHBondContact N-OG 3.44Å | ||
| 232 | S | 96 | Very high | 89.5 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -65.7 | -60.5 | 171.4 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | R75 Y76 Q117 A118 K152 | R75-S232 WeakPolarHBondContact CD-O 3.38Å; Y76-S232 PolarHBondContact OH-OG 3.43Å; Q117-S232 WeakPolarHBondContact CA-O 3.48Å; A118-S232 PolarHBondContact N-O 3.16Å; K152-S232 PolarHBondContact O-OG 3.26Å |
| 233 | A | 97 | Very high | 91.5 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -91 | -14.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y76 I79 V235 R270 | Y76-A233 HydrophobicContact CD2-CB 3.58Å; Y76-A233 HydrophobicContact CE2-CB 3.71Å; I79-A233 HydrophobicContact CG1-CB 4.16Å; I79-A233 HydrophobicContact CG2-CB 4.43Å; A233-V235 HydrophobicContact CB-CG2 3.91Å; A233-R270 PolarHBondContact O-NH2 3.28Å |
| 234 | G | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 71.4 | 26.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T116 C231 R270 | T116-G234 WeakPolarHBondContact O-CA 3.47Å; C231-G234 PolarHBondContact SG-N 3.37Å; G234-R270 PolarHBondContact O-NE 2.93Å |
| 235 | V | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -129.3 | -59.8 | -177.7 | -62.7 | 0 | 0 | 0 | 0 | 113 | I79 A233 G239 R270 A271 A273 V274 Q275 | I79-V235 HydrophobicContact CD1-CG2 4.27Å; I79-V235 HydrophobicContact CG2-CB 4.49Å; I79-V235 HydrophobicContact CG2-CG1 3.58Å; I79-V235 HydrophobicContact CG2-CG2 4.03Å; A233-V235 HydrophobicContact CB-CG2 3.91Å; V235-G239 VanDerWaalsContact O-CA 3.3Å; V235-G239 WeakPolarHBondContact O-CA 3.24Å; V235-G239 PolarHBondContact O-N 3.38Å; V235-R270 HydrophobicContact CG1-CG 4.15Å; V235-A271 VanDerWaalsContact CG1-O 3.27Å; V235-A271 WeakPolarHBondContact CG1-O 3.47Å; V235-A273 VanDerWaalsContact O-CA 3.31Å; V235-A273 WeakPolarHBondContact O-CA 3.37Å; V235-V274 PolarHBondContact O-N 2.86Å; V235-V274 VanDerWaalsContact O-N 3.14Å; V235-Q275 HydrophobicContact CG2-CB 4.38Å; V235-Q275 HydrophobicContact CG2-CG 4.42Å |
| 236 | G | 95.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.7 | -84.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S238 G239 T240 | G236-S238 PolarHBondContact O-N 3.08Å; G236-G239 PolarHBondContact O-N 2.82Å; G236-G239 VanDerWaalsContact O-N 3.1Å; G236-T240 PolarHBondContact O-N 2.99Å; G236-T240 PolarHBondContact O-OG1 3.08Å |
| 237 | R | 93.5 | Very high | 94.4 | Very high | 87 Ų | 87 | 9.2 Ų | 9.2 | 33% | 0.328 | 5% | 0.046 | S | C | . | . | H | α-helix | trans | -41.8 | -57.9 | 169.2 | -89.2 | -172.3 | -155.3 | 157.3 | 12.8 | 113 | L142 E147 W211 C231 G239 T240 L241 | L142-R237 WeakPolarHBondContact O-CD 3.42Å; L142-R237 PolarHBondContact O-NH1 3.24Å; E147-R237 IonicContact OE1-CZ 2.67Å; E147-R237 IonicContact OE1-NH1 2.77Å; E147-R237 PolarHBondContact OE1-NH1 2.87Å; E147-R237 IonicContact OE1-NH2 3.67Å; E147-R237 IonicContact OE2-CZ 2.73Å; E147-R237 IonicContact OE2-NH1 3.92Å; E147-R237 PolarHBondContact OE2-NH1 3.21Å; E147-R237 IonicContact OE2-NH2 3.23Å; E147-R237 PolarHBondContact OE2-NH2 2.94Å; W211-R237 HydrophobicContact CE3-CB 4.27Å; W211-R237 HydrophobicContact CE3-CG 3.78Å; W211-R237 HydrophobicContact CH2-CB 4.02Å; W211-R237 HydrophobicContact CH2-CG 4.29Å; W211-R237 WeakPolarHBondContact CH2-O 3.45Å; W211-R237 HydrophobicContact CZ3-CB 3.47Å; W211-R237 VanDerWaalsContact CZ3-CB 3.47Å; W211-R237 HydrophobicContact CZ3-CG 3.49Å; W211-R237 VanDerWaalsContact CZ3-CG 3.49Å; C231-R237 HydrophobicContact CB-CB 3.65Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 3.34Å; R237-T240 VanDerWaalsContact O-CB 3.31Å; R237-T240 WeakPolarHBondContact O-CB 3.22Å; R237-T240 PolarHBondContact O-N 3.22Å; R237-T240 VanDerWaalsContact O-N 3.07Å; R237-L241 PolarHBondContact O-N 2.74Å |
| 238 | S | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.4 | -41.5 | 180 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | V229 H230 C231 G236 L241 V242 | V229-S238 PolarHBondContact O-OG 3Å; H230-S238 VanDerWaalsContact C-OG 3.25Å; H230-S238 WeakPolarHBondContact CA-OG 3.37Å; C231-S238 PolarHBondContact N-OG 3.44Å; G236-S238 PolarHBondContact O-N 3.08Å; S238-L241 PolarHBondContact O-N 3.2Å; S238-V242 WeakPolarHBondContact O-CG2 3.49Å; S238-V242 PolarHBondContact O-N 3.08Å |
| 239 | G | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.9 | -36.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V235 G236 R237 L241 V242 A243 | V235-G239 VanDerWaalsContact O-CA 3.3Å; V235-G239 WeakPolarHBondContact O-CA 3.24Å; V235-G239 PolarHBondContact O-N 3.38Å; G236-G239 PolarHBondContact O-N 2.82Å; G236-G239 VanDerWaalsContact O-N 3.1Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.33Å; G239-L241 PolarHBondContact O-N 2.97Å; G239-V242 PolarHBondContact O-N 2.74Å; G239-A243 WeakPolarHBondContact O-CB 3.31Å; G239-A243 PolarHBondContact O-N 3.18Å |
| 240 | T | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.1 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | G236 R237 L244 F282 L283 | G236-T240 PolarHBondContact O-N 2.99Å; G236-T240 PolarHBondContact O-OG1 3.08Å; R237-T240 VanDerWaalsContact O-CB 3.31Å; R237-T240 WeakPolarHBondContact O-CB 3.22Å; R237-T240 PolarHBondContact O-N 3.22Å; R237-T240 VanDerWaalsContact O-N 3.07Å; T240-L244 WeakPolarHBondContact O-CB 3.18Å; T240-L244 PolarHBondContact O-N 3.11Å; T240-F282 HydrophobicContact CG2-CD1 3.55Å; T240-F282 HydrophobicContact CG2-CE1 3.89Å; T240-L283 HydrophobicContact CG2-CD2 3.77Å; T240-L283 HydrophobicContact CG2-CG 4.26Å; T240-L283 WeakPolarHBondContact O-CD2 3.47Å |
| 241 | L | 91.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.7 | -52.4 | 176.8 | -160 | 80.4 | 0 | 0 | 0 | 112.2 | V140 L142 W211 V216 V229 R237 S238 G239 L244 Q245 | V140-L241 HydrophobicContact CG1-CD2 4.05Å; L142-L241 HydrophobicContact CD1-CB 4.34Å; L142-L241 HydrophobicContact CD1-CD2 4.2Å; L142-L241 HydrophobicContact CD2-CD1 4.35Å; L142-L241 HydrophobicContact CD2-CD2 4.32Å; W211-L241 HydrophobicContact CH2-CB 3.96Å; W211-L241 HydrophobicContact CH2-CD1 3.94Å; W211-L241 HydrophobicContact CZ2-CB 4.23Å; W211-L241 HydrophobicContact CZ2-CD1 3.79Å; V216-L241 HydrophobicContact CG1-CD1 4.28Å; V216-L241 HydrophobicContact CG1-CD2 3.91Å; V216-L241 HydrophobicContact CG1-CG 4.21Å; V216-L241 HydrophobicContact CG2-CD1 3.45Å; V216-L241 VanDerWaalsContact CG2-CD1 3.45Å; V216-L241 HydrophobicContact CG2-CD2 4.5Å; V216-L241 HydrophobicContact CG2-CG 3.92Å; V229-L241 HydrophobicContact CG1-CB 4.34Å; V229-L241 HydrophobicContact CG1-CD2 3.68Å; V229-L241 HydrophobicContact CG2-CD2 4.22Å; R237-L241 PolarHBondContact O-N 2.74Å; S238-L241 PolarHBondContact O-N 3.2Å; G239-L241 VanDerWaalsContact C-N 3.33Å; G239-L241 PolarHBondContact O-N 2.97Å; L241-L244 PolarHBondContact O-N 2.97Å; L241-Q245 PolarHBondContact O-N 2.7Å |
| 242 | V | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | -175.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | V104 M106 Y113 M115 V229 S238 G239 S246 V266 | V104-V242 HydrophobicContact CG1-CG1 3.95Å; M106-V242 HydrophobicContact CG-CG1 3.83Å; M106-V242 HydrophobicContact SD-CG1 4.13Å; Y113-V242 HydrophobicContact CD1-CG2 3.98Å; Y113-V242 HydrophobicContact CD2-CG1 3.77Å; Y113-V242 HydrophobicContact CD2-CG2 4.37Å; Y113-V242 HydrophobicContact CE1-CG2 4.47Å; Y113-V242 HydrophobicContact CE2-CG1 4.09Å; Y113-V242 HydrophobicContact CG-CG1 4.15Å; Y113-V242 HydrophobicContact CG-CG2 3.92Å; M115-V242 HydrophobicContact CG-CG2 4.26Å; M115-V242 HydrophobicContact SD-CB 4.4Å; M115-V242 HydrophobicContact SD-CG2 4.11Å; V229-V242 HydrophobicContact CB-CG2 4.5Å; V229-V242 HydrophobicContact CG2-CG2 4.22Å; S238-V242 WeakPolarHBondContact O-CG2 3.49Å; S238-V242 PolarHBondContact O-N 3.08Å; G239-V242 PolarHBondContact O-N 2.74Å; V242-S246 PolarHBondContact O-N 3.47Å; V242-V266 HydrophobicContact CG1-CG2 4.27Å |
| 243 | A | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -49 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | G239 Q245 S246 L247 V262 V263 V266 L283 | G239-A243 WeakPolarHBondContact O-CB 3.31Å; G239-A243 PolarHBondContact O-N 3.18Å; A243-Q245 PolarHBondContact O-N 2.67Å; A243-S246 PolarHBondContact O-N 2.99Å; A243-S246 VanDerWaalsContact O-N 3.15Å; A243-L247 WeakPolarHBondContact O-CD1 3.38Å; A243-L247 VanDerWaalsContact O-CG 3.32Å; A243-L247 WeakPolarHBondContact O-CG 3.12Å; A243-L247 PolarHBondContact O-N 2.76Å; A243-V262 HydrophobicContact CB-CG1 3.95Å; A243-V263 HydrophobicContact CB-CG2 4.02Å; A243-V266 HydrophobicContact CB-CG2 4.41Å; A243-L283 HydrophobicContact CB-CD1 4.06Å; A243-L283 HydrophobicContact CB-CD2 4.23Å |
| 244 | L | 91.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | -179.4 | -175.3 | 60.4 | 0 | 0 | 0 | 111.8 | H214 T240 L241 S246 L247 V248 F282 L283 A286 L287 | H214-L244 HydrophobicContact CB-CD2 4.44Å; T240-L244 WeakPolarHBondContact O-CB 3.18Å; T240-L244 PolarHBondContact O-N 3.11Å; L241-L244 PolarHBondContact O-N 2.97Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.96Å; L244-L247 PolarHBondContact O-N 2.62Å; L244-V248 HydrophobicContact CD1-CG2 3.96Å; L244-V248 HydrophobicContact CG-CG2 4.2Å; L244-V248 WeakPolarHBondContact O-CB 3.44Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.17Å; L244-V248 PolarHBondContact O-N 3.36Å; L244-F282 HydrophobicContact CD2-CE1 4.36Å; L244-L283 HydrophobicContact CB-CD2 3.79Å; L244-L283 HydrophobicContact CD1-CD2 4.37Å; L244-A286 HydrophobicContact CD1-CB 3.87Å; L244-A286 HydrophobicContact CD2-CB 4.12Å; L244-L287 HydrophobicContact CD1-CD2 4.4Å; L244-L287 HydrophobicContact CD1-CG 4.38Å |
| 245 | Q | 88.8 | Confident | 91.1 | Very high | 39 Ų | 39 | 22.4 Ų | 22.4 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 176.6 | -74.1 | -170.2 | -67.6 | 0 | 0 | 112.6 | Y113 V216 L241 A243 G249 | Y113-Q245 PolarHBondContact OH-OE1 3.3Å; Y113-Q245 VanDerWaalsContact OH-OE1 3.09Å; V216-Q245 HydrophobicContact CB-CG 4.13Å; V216-Q245 HydrophobicContact CG1-CG 4.42Å; V216-Q245 HydrophobicContact CG2-CG 3.84Å; L241-Q245 PolarHBondContact O-N 2.7Å; A243-Q245 PolarHBondContact O-N 2.67Å; Q245-G249 PolarHBondContact O-N 3.46Å |
| 246 | S | 90.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70 | -38.1 | 177 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | V242 A243 L244 G249 S250 | V242-S246 PolarHBondContact O-N 3.47Å; A243-S246 PolarHBondContact O-N 2.99Å; A243-S246 VanDerWaalsContact O-N 3.15Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 2.96Å; S246-G249 PolarHBondContact O-N 3.48Å; S246-S250 PolarHBondContact O-N 2.73Å; S246-S250 VanDerWaalsContact O-N 3.11Å; S246-S250 PolarHBondContact O-OG 2.71Å |
| 247 | L | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -43.4 | 178.2 | -68.3 | 160.2 | 0 | 0 | 0 | 111.2 | A243 L244 G249 S250 V251 P257 V259 V262 L283 L287 | A243-L247 WeakPolarHBondContact O-CD1 3.38Å; A243-L247 VanDerWaalsContact O-CG 3.32Å; A243-L247 WeakPolarHBondContact O-CG 3.12Å; A243-L247 PolarHBondContact O-N 2.76Å; L244-L247 PolarHBondContact O-N 2.62Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 3.11Å; L247-S250 WeakPolarHBondContact O-CB 2.72Å; L247-S250 PolarHBondContact O-N 3.39Å; L247-S250 VanDerWaalsContact O-N 3.1Å; L247-V251 PolarHBondContact O-N 3.33Å; L247-P257 HydrophobicContact CB-CB 4.31Å; L247-P257 HydrophobicContact CD2-CB 3.78Å; L247-V259 HydrophobicContact CD1-CB 4.45Å; L247-V259 HydrophobicContact CD1-CG1 4.19Å; L247-V259 HydrophobicContact CD1-CG2 4.22Å; L247-V259 HydrophobicContact CD2-CB 4.48Å; L247-V259 HydrophobicContact CD2-CG2 4.15Å; L247-V262 HydrophobicContact CD1-CG1 4.33Å; L247-V262 HydrophobicContact CD2-CB 3.92Å; L247-V262 HydrophobicContact CD2-CG1 4.35Å; L247-V262 HydrophobicContact CD2-CG2 3.67Å; L247-V262 HydrophobicContact CG-CB 4.13Å; L247-V262 HydrophobicContact CG-CG1 4Å; L247-V262 HydrophobicContact CG-CG2 4.15Å; L247-L283 HydrophobicContact CD1-CB 4.42Å; L247-L283 HydrophobicContact CD1-CD1 4.39Å; L247-L283 HydrophobicContact CD1-CD2 4.39Å; L247-L287 HydrophobicContact CB-CD1 4.05Å; L247-L287 HydrophobicContact CB-CD2 3.85Å; L247-L287 HydrophobicContact CB-CG 4.45Å; L247-L287 HydrophobicContact CD1-CD1 4.19Å; L247-L287 HydrophobicContact CG-CD1 4.48Å |
| 248 | V | 87.1 | Confident | 91 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 16% | 0.158 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 173.4 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | L244 S250 V251 N252 L287 Q290 | L244-V248 HydrophobicContact CD1-CG2 3.96Å; L244-V248 HydrophobicContact CG-CG2 4.2Å; L244-V248 WeakPolarHBondContact O-CB 3.44Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.17Å; L244-V248 PolarHBondContact O-N 3.36Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 PolarHBondContact O-N 3.28Å; V248-V251 PolarHBondContact O-N 2.86Å; V248-N252 WeakPolarHBondContact O-CB 3.17Å; V248-N252 PolarHBondContact O-N 2.98Å; V248-N252 PolarHBondContact O-ND2 3.38Å; V248-L287 HydrophobicContact CG2-CD2 4.23Å; V248-Q290 VanDerWaalsContact CG1-NE2 3.34Å |
| 249 | G | 85.6 | Confident | 91.1 | Very high | 27 Ų | 27 | 25.7 Ų | 25.7 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q245 S246 L247 N252 E253 | Q245-G249 PolarHBondContact O-N 3.46Å; S246-G249 PolarHBondContact O-N 3.48Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 3.11Å; G249-N252 PolarHBondContact O-N 2.75Å; G249-E253 WeakPolarHBondContact O-CG 3.4Å; G249-E253 PolarHBondContact O-N 3.35Å; G249-E253 VanDerWaalsContact O-N 3.14Å |
| 250 | S | 89.3 | Confident | 91.2 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 178 | -54 | 0 | 0 | 0 | 0 | 112.3 | S246 L247 V248 E253 G254 K255 | S246-S250 PolarHBondContact O-N 2.73Å; S246-S250 VanDerWaalsContact O-N 3.11Å; S246-S250 PolarHBondContact O-OG 2.71Å; L247-S250 WeakPolarHBondContact O-CB 2.72Å; L247-S250 PolarHBondContact O-N 3.39Å; L247-S250 VanDerWaalsContact O-N 3.1Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 PolarHBondContact O-N 3.28Å; S250-E253 CarbonylContact O-C 3.59Å; S250-E253 PolarHBondContact O-N 2.92Å; S250-G254 PolarHBondContact O-N 2.88Å; S250-K255 WeakPolarHBondContact O-CB 3.44Å; S250-K255 PolarHBondContact O-N 3.38Å |
| 251 | V | 87.3 | Confident | 91.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | P27 L247 V248 E253 G254 P257 L287 L291 | P27-V251 HydrophobicContact CB-CG1 4.11Å; P27-V251 HydrophobicContact CB-CG2 4.4Å; P27-V251 HydrophobicContact CG-CG1 4.34Å; L247-V251 PolarHBondContact O-N 3.33Å; V248-V251 PolarHBondContact O-N 2.86Å; V251-E253 PolarHBondContact O-N 3.33Å; V251-G254 WeakPolarHBondContact O-CA 3.49Å; V251-G254 PolarHBondContact O-N 3.43Å; V251-P257 HydrophobicContact CG2-CB 3.94Å; V251-P257 HydrophobicContact CG2-CG 3.91Å; V251-L287 HydrophobicContact CG2-CD2 3.98Å; V251-L291 HydrophobicContact CG1-CD1 4.01Å; V251-L291 HydrophobicContact CG1-CD2 3.64Å; V251-L291 HydrophobicContact CG1-CG 3.89Å; V251-L291 HydrophobicContact CG2-CD1 4.25Å |
| 252 | N | 83.9 | Confident | 91.6 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -24.8 | 177.9 | -69.9 | -23.1 | 0 | 0 | 0 | 113.1 | T18 L19 V248 G249 G254 | T18-N252 HydrophobicContact CG2-CB 3.81Å; L19-N252 PolarHBondContact N-O 3.33Å; V248-N252 WeakPolarHBondContact O-CB 3.17Å; V248-N252 PolarHBondContact O-N 2.98Å; V248-N252 PolarHBondContact O-ND2 3.38Å; G249-N252 PolarHBondContact O-N 2.75Å; N252-G254 VanDerWaalsContact C-N 3.3Å |
| 253 | E | 86.3 | Confident | 91.9 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 4 | 170.7 | -68.4 | 175.8 | -168 | 0 | 0 | 113.2 | N108 G249 S250 V251 K255 | N108-E253 PolarHBondContact ND2-OE1 3.15Å; N108-E253 PolarHBondContact ND2-OE2 3.14Å; G249-E253 WeakPolarHBondContact O-CG 3.4Å; G249-E253 PolarHBondContact O-N 3.35Å; G249-E253 VanDerWaalsContact O-N 3.14Å; S250-E253 CarbonylContact O-C 3.59Å; S250-E253 PolarHBondContact O-N 2.92Å; V251-E253 PolarHBondContact O-N 3.33Å; E253-K255 VanDerWaalsContact C-N 3.33Å; E253-K255 HydrophobicContact CB-CD 4.19Å; E253-K255 HydrophobicContact CB-CG 4.29Å; E253-K255 PolarHBondContact O-N 2.9Å; E253-K255 VanDerWaalsContact OE2-CE 3.24Å; E253-K255 WeakPolarHBondContact OE2-CE 3.31Å; E253-K255 IonicContact OE2-NZ 2.64Å; E253-K255 PolarHBondContact OE2-NZ 2.89Å |
| 254 | G | 89 | Confident | 92.1 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 18.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S250 V251 N252 | S250-G254 PolarHBondContact O-N 2.88Å; V251-G254 WeakPolarHBondContact O-CA 3.49Å; V251-G254 PolarHBondContact O-N 3.43Å; N252-G254 VanDerWaalsContact C-N 3.3Å |
| 255 | K | 92.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 35 Ų | 35 | 44% | 0.439 | 19% | 0.19 | S | C | . | . | trans | -98.9 | 148.3 | -179.2 | -59.9 | 171.2 | 179.2 | 169.6 | 0 | 111.2 | S250 E253 | S250-K255 WeakPolarHBondContact O-CB 3.44Å; S250-K255 PolarHBondContact O-N 3.38Å; E253-K255 VanDerWaalsContact C-N 3.33Å; E253-K255 HydrophobicContact CB-CD 4.19Å; E253-K255 HydrophobicContact CB-CG 4.29Å; E253-K255 PolarHBondContact O-N 2.9Å; E253-K255 VanDerWaalsContact OE2-CE 3.24Å; E253-K255 WeakPolarHBondContact OE2-CE 3.31Å; E253-K255 IonicContact OE2-NZ 2.64Å; E253-K255 PolarHBondContact OE2-NZ 2.89Å | ||
| 256 | V | 93.7 | Very high | 92.8 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 30% | 0.297 | 18% | 0.181 | S | C | . | . | trans | -59.6 | 129.5 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | K26 W30 Q258 | K26-V256 HydrophobicContact CB-CG2 3.82Å; W30-V256 HydrophobicContact CB-CG1 4.2Å; W30-V256 HydrophobicContact CG-CG1 3.86Å; V256-Q258 PolarHBondContact O-N 3.35Å | ||
| 257 | P | 93.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | trans | -73.1 | 106.4 | 176.6 | 27.8 | -31.9 | 0 | 0 | 0 | 110.8 | W30 L247 V251 V259 L287 | W30-P257 HydrophobicContact CD2-CG 3.82Å; W30-P257 HydrophobicContact CE3-CG 3.58Å; W30-P257 HydrophobicContact CH2-CG 3.62Å; W30-P257 HydrophobicContact CZ2-CG 3.81Å; W30-P257 HydrophobicContact CZ3-CG 3.5Å; L247-P257 HydrophobicContact CB-CB 4.31Å; L247-P257 HydrophobicContact CD2-CB 3.78Å; V251-P257 HydrophobicContact CG2-CB 3.94Å; V251-P257 HydrophobicContact CG2-CG 3.91Å; P257-V259 VanDerWaalsContact C-N 3.31Å; P257-V259 PolarHBondContact O-N 3.43Å; P257-L287 HydrophobicContact CB-CD1 3.7Å; P257-L287 HydrophobicContact CB-CD2 4.31Å; P257-L287 HydrophobicContact CG-CD1 3.94Å | ||
| 258 | Q | 95.9 | Very high | 93.5 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 49% | 0.486 | 21% | 0.209 | S | C | . | . | trans | -79.4 | 72.6 | -179.7 | -60.7 | -74.2 | 79 | 0 | 0 | 111.1 | V256 C260 Q261 V262 | V256-Q258 PolarHBondContact O-N 3.35Å; Q258-C260 PolarHBondContact O-N 2.86Å; Q258-Q261 HydrophobicContact CB-CB 3.85Å; Q258-Q261 PolarHBondContact O-N 3.24Å; Q258-V262 WeakPolarHBondContact O-CG2 3.46Å; Q258-V262 PolarHBondContact O-N 3.21Å | ||
| 259 | V | 96.7 | Very high | 94 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.3 | -55 | -170.9 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | W30 L247 P257 Q261 V262 V263 Y280 L283 Y284 L287 | W30-V259 HydrophobicContact CZ2-CG2 4.31Å; L247-V259 HydrophobicContact CD1-CB 4.45Å; L247-V259 HydrophobicContact CD1-CG1 4.19Å; L247-V259 HydrophobicContact CD1-CG2 4.22Å; L247-V259 HydrophobicContact CD2-CB 4.48Å; L247-V259 HydrophobicContact CD2-CG2 4.15Å; P257-V259 VanDerWaalsContact C-N 3.31Å; P257-V259 PolarHBondContact O-N 3.43Å; V259-Q261 PolarHBondContact O-N 2.93Å; V259-V262 PolarHBondContact O-N 2.77Å; V259-V263 HydrophobicContact CG1-CG2 4.37Å; V259-V263 WeakPolarHBondContact O-CG2 3.45Å; V259-V263 PolarHBondContact O-N 2.84Å; V259-Y280 HydrophobicContact CG1-CE2 3.89Å; V259-L283 HydrophobicContact CG1-CB 4Å; V259-L283 HydrophobicContact CG1-CD1 3.98Å; V259-Y284 HydrophobicContact CB-CD2 4.45Å; V259-Y284 HydrophobicContact CB-CE1 4.42Å; V259-Y284 HydrophobicContact CB-CE2 3.73Å; V259-Y284 HydrophobicContact CG1-CD2 4.07Å; V259-Y284 HydrophobicContact CG1-CE2 3.61Å; V259-Y284 HydrophobicContact CG2-CD1 4.31Å; V259-Y284 HydrophobicContact CG2-CD2 4.32Å; V259-Y284 HydrophobicContact CG2-CE1 3.94Å; V259-Y284 HydrophobicContact CG2-CE2 3.95Å; V259-Y284 HydrophobicContact CG2-CG 4.49Å; V259-L287 HydrophobicContact CG2-CD1 3.9Å |
| 260 | C | 98 | Very high | 94.7 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 14% | 0.142 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.2 | -48.4 | 178.1 | -179 | 0 | 0 | 0 | 0 | 112 | E48 Q258 V262 V263 S264 Y280 | E48-C260 HydrophobicContact CB-CB 4.4Å; E48-C260 HydrophobicContact CG-CB 4.26Å; Q258-C260 PolarHBondContact O-N 2.86Å; C260-V262 PolarHBondContact O-N 3.23Å; C260-V263 PolarHBondContact O-N 2.81Å; C260-S264 WeakPolarHBondContact O-CB 3.19Å; C260-S264 PolarHBondContact O-N 3.28Å; C260-Y280 WeakPolarHBondContact CA-OH 3.18Å; C260-Y280 WeakPolarHBondContact CB-OH 3.38Å; C260-Y280 PolarHBondContact N-OH 2.84Å |
| 261 | Q | 97.9 | Very high | 95.1 | Very high | 124 Ų | 124 | 39 Ų | 39 | 58% | 0.579 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61.7 | -43.1 | 179.6 | -170.9 | -178.2 | 2.1 | 0 | 0 | 112.5 | Q258 V259 M265 | Q258-Q261 HydrophobicContact CB-CB 3.85Å; Q258-Q261 PolarHBondContact O-N 3.24Å; V259-Q261 PolarHBondContact O-N 2.93Å; Q261-M265 WeakPolarHBondContact O-CB 3.41Å; Q261-M265 PolarHBondContact O-N 2.82Å |
| 262 | V | 97.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -48.7 | 179.1 | 168.4 | 0 | 0 | 0 | 0 | 111 | M106 A243 L247 Q258 V259 C260 S264 M265 V266 | M106-V262 HydrophobicContact CE-CG1 3.6Å; A243-V262 HydrophobicContact CB-CG1 3.95Å; L247-V262 HydrophobicContact CD1-CG1 4.33Å; L247-V262 HydrophobicContact CD2-CB 3.92Å; L247-V262 HydrophobicContact CD2-CG1 4.35Å; L247-V262 HydrophobicContact CD2-CG2 3.67Å; L247-V262 HydrophobicContact CG-CB 4.13Å; L247-V262 HydrophobicContact CG-CG1 4Å; L247-V262 HydrophobicContact CG-CG2 4.15Å; Q258-V262 WeakPolarHBondContact O-CG2 3.46Å; Q258-V262 PolarHBondContact O-N 3.21Å; V259-V262 PolarHBondContact O-N 2.77Å; C260-V262 PolarHBondContact O-N 3.23Å; V262-S264 VanDerWaalsContact C-N 3.31Å; V262-S264 PolarHBondContact O-N 2.97Å; V262-M265 WeakPolarHBondContact O-CB 3.41Å; V262-M265 PolarHBondContact O-N 2.72Å; V262-V266 WeakPolarHBondContact O-CG2 3.33Å; V262-V266 PolarHBondContact O-N 3.4Å |
| 263 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 178.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | L53 A243 V259 C260 M265 V266 R267 V274 Y280 L283 | L53-V263 HydrophobicContact CD1-CG1 3.77Å; L53-V263 HydrophobicContact CD2-CB 3.91Å; L53-V263 HydrophobicContact CD2-CG1 3.81Å; L53-V263 HydrophobicContact CG-CG1 4.46Å; A243-V263 HydrophobicContact CB-CG2 4.02Å; V259-V263 HydrophobicContact CG1-CG2 4.37Å; V259-V263 WeakPolarHBondContact O-CG2 3.45Å; V259-V263 PolarHBondContact O-N 2.84Å; C260-V263 PolarHBondContact O-N 2.81Å; V263-M265 VanDerWaalsContact C-N 3.33Å; V263-M265 PolarHBondContact O-N 2.68Å; V263-V266 PolarHBondContact O-N 3.41Å; V263-R267 HydrophobicContact CG1-CG 4.47Å; V263-R267 PolarHBondContact O-N 2.89Å; V263-V274 HydrophobicContact CG1-CB 3.87Å; V263-V274 HydrophobicContact CG1-CG2 3.79Å; V263-V274 HydrophobicContact CG2-CG2 4.05Å; V263-Y280 HydrophobicContact CB-CD2 4.48Å; V263-Y280 HydrophobicContact CB-CE2 4.06Å; V263-Y280 HydrophobicContact CG1-CD2 4.33Å; V263-Y280 HydrophobicContact CG1-CE2 4.28Å; V263-Y280 HydrophobicContact CG2-CD2 4.09Å; V263-Y280 HydrophobicContact CG2-CE2 3.86Å; V263-L283 HydrophobicContact CG2-CD1 3.42Å; V263-L283 VanDerWaalsContact CG2-CD1 3.42Å |
| 264 | S | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 36 Ų | 36 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -41.6 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | P54 C260 V262 R267 R268 | P54-S264 VanDerWaalsContact CD-OG 3.3Å; P54-S264 WeakPolarHBondContact CD-OG 3.37Å; P54-S264 WeakPolarHBondContact CG-OG 3.44Å; C260-S264 WeakPolarHBondContact O-CB 3.19Å; C260-S264 PolarHBondContact O-N 3.28Å; V262-S264 VanDerWaalsContact C-N 3.31Å; V262-S264 PolarHBondContact O-N 2.97Å; S264-R267 PolarHBondContact O-N 3.48Å; S264-R268 VanDerWaalsContact O-CG 3.31Å; S264-R268 WeakPolarHBondContact O-CG 3.5Å; S264-R268 PolarHBondContact O-N 3.17Å; S264-R268 PolarHBondContact OG-NE 3.05Å; S264-R268 PolarHBondContact OG-NH2 3.14Å |
| 265 | M | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 39 Ų | 39 | 26% | 0.256 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.4 | -32.6 | 175.6 | -179.5 | 167.8 | 59.4 | 0 | 0 | 113.4 | M106 P107 Q261 V262 V263 Q269 | M106-M265 HydrophobicContact CE-CE 3.59Å; M106-M265 HydrophobicContact SD-CE 4.18Å; P107-M265 VanDerWaalsContact CD-SD 3.54Å; P107-M265 HydrophobicContact CG-CE 3.82Å; P107-M265 HydrophobicContact CG-SD 3.83Å; Q261-M265 WeakPolarHBondContact O-CB 3.41Å; Q261-M265 PolarHBondContact O-N 2.82Å; V262-M265 WeakPolarHBondContact O-CB 3.41Å; V262-M265 PolarHBondContact O-N 2.72Å; V263-M265 VanDerWaalsContact C-N 3.33Å; V263-M265 PolarHBondContact O-N 2.68Å; M265-Q269 PolarHBondContact O-NE2 3.29Å |
| 266 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -47.5 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 110 | V104 M106 M115 V242 A243 V262 V263 R268 Q269 R270 A273 | V104-V266 HydrophobicContact CG1-CG1 4.25Å; V104-V266 HydrophobicContact CG1-CG2 4.39Å; M106-V266 HydrophobicContact CE-CG2 3.59Å; M106-V266 HydrophobicContact SD-CG2 3.78Å; M115-V266 HydrophobicContact CE-CG1 4.31Å; M115-V266 HydrophobicContact SD-CG1 3.8Å; V242-V266 HydrophobicContact CG1-CG2 4.27Å; A243-V266 HydrophobicContact CB-CG2 4.41Å; V262-V266 WeakPolarHBondContact O-CG2 3.33Å; V262-V266 PolarHBondContact O-N 3.4Å; V263-V266 PolarHBondContact O-N 3.41Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 2.72Å; V266-Q269 CarbonylContact O-C 3.55Å; V266-Q269 WeakPolarHBondContact O-CA 3.37Å; V266-Q269 PolarHBondContact O-N 3.07Å; V266-R270 PolarHBondContact O-N 3.5Å; V266-A273 HydrophobicContact CB-CB 4.36Å; V266-A273 HydrophobicContact CG1-CB 3.49Å; V266-A273 VanDerWaalsContact CG1-CB 3.49Å |
| 267 | R | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -35.7 | -179 | -76.7 | -162.1 | 179.1 | 177.7 | 5 | 113.8 | P54 V263 S264 Q269 R270 A271 A273 V274 | P54-R267 HydrophobicContact CB-CB 4.07Å; P54-R267 HydrophobicContact CG-CB 4.07Å; P54-R267 WeakPolarHBondContact O-CD 3.31Å; P54-R267 PolarHBondContact O-NH1 3.19Å; V263-R267 HydrophobicContact CG1-CG 4.47Å; V263-R267 PolarHBondContact O-N 2.89Å; S264-R267 PolarHBondContact O-N 3.48Å; R267-Q269 PolarHBondContact O-N 2.95Å; R267-R270 WeakPolarHBondContact CA-O 3.37Å; R267-R270 CarbonylContact O-C 3.35Å; R267-A271 WeakPolarHBondContact O-CA 3.42Å; R267-A271 PolarHBondContact O-N 3.08Å; R267-A273 HydrophobicContact CG-CB 4.17Å; R267-A273 WeakPolarHBondContact CG-O 3.46Å; R267-A273 PolarHBondContact NE-O 2.84Å; R267-V274 PolarHBondContact NH2-O 2.85Å |
| 268 | R | 98.4 | Very high | 96.9 | Very high | 168 Ų | 168 | 40 Ų | 40 | 63% | 0.634 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13 | 173.4 | -69.9 | 173.1 | -141.5 | -103.3 | 8.2 | 114.3 | P54 S264 V266 | P54-R268 HydrophobicContact CG-CG 4.15Å; S264-R268 VanDerWaalsContact O-CG 3.31Å; S264-R268 WeakPolarHBondContact O-CG 3.5Å; S264-R268 PolarHBondContact O-N 3.17Å; S264-R268 PolarHBondContact OG-NE 3.05Å; S264-R268 PolarHBondContact OG-NH2 3.14Å; V266-R268 VanDerWaalsContact C-N 3.31Å; V266-R268 PolarHBondContact O-N 2.72Å |
| 269 | Q | 98.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -32.2 | -179.8 | -65.9 | 179.9 | 89.1 | 0 | 0 | 112.5 | T85 N102 V104 T105 M265 V266 R267 | T85-Q269 HydrophobicContact CG2-CB 4.37Å; T85-Q269 HydrophobicContact CG2-CG 4.37Å; T85-Q269 PolarHBondContact OG1-O 3.48Å; N102-Q269 WeakPolarHBondContact CB-O 3.28Å; V104-Q269 HydrophobicContact CB-CB 4.36Å; V104-Q269 HydrophobicContact CG1-CB 4.3Å; V104-Q269 HydrophobicContact CG2-CB 3.89Å; T105-Q269 PolarHBondContact O-NE2 3.02Å; T105-Q269 PolarHBondContact O-OE1 3.3Å; M265-Q269 PolarHBondContact O-NE2 3.29Å; V266-Q269 CarbonylContact O-C 3.55Å; V266-Q269 WeakPolarHBondContact O-CA 3.37Å; V266-Q269 PolarHBondContact O-N 3.07Å; R267-Q269 PolarHBondContact O-N 2.95Å |
| 270 | R | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -136.9 | 102.6 | 170 | 178.6 | 63.3 | 171.9 | -164.9 | 0.8 | 108.1 | H100 N102 V104 M115 A233 G234 V235 V266 R267 A273 | H100-R270 PolarHBondContact CE1-NH1 3.28Å; H100-R270 PolarHBondContact CE1-NH2 3.26Å; H100-R270 VanDerWaalsContact CE1-NH2 3.34Å; H100-R270 PolarHBondContact ND1-NH1 2.85Å; H100-R270 VanDerWaalsContact ND1-NH1 3.12Å; H100-R270 PolarHBondContact ND1-NH2 3.49Å; H100-R270 PolarHBondContact NE2-NH1 3.34Å; H100-R270 PolarHBondContact NE2-NH2 3.18Å; H100-R270 PolarHBondContact O-NH1 3.08Å; H100-R270 PolarHBondContact O-NH2 2.83Å; N102-R270 HydrophobicContact CB-CB 4.26Å; N102-R270 WeakPolarHBondContact OD1-CD 3.38Å; N102-R270 PolarHBondContact OD1-NH1 3.28Å; V104-R270 HydrophobicContact CG2-CB 3.84Å; M115-R270 HydrophobicContact CB-CB 4.25Å; M115-R270 HydrophobicContact CB-CG 3.88Å; M115-R270 HydrophobicContact CE-CB 4.2Å; M115-R270 HydrophobicContact CE-CG 3.79Å; M115-R270 PolarHBondContact O-NH1 3.3Å; M115-R270 HydrophobicContact SD-CB 4.07Å; M115-R270 HydrophobicContact SD-CG 4.22Å; A233-R270 PolarHBondContact O-NH2 3.28Å; G234-R270 PolarHBondContact O-NE 2.93Å; V235-R270 HydrophobicContact CG1-CG 4.15Å; V266-R270 PolarHBondContact O-N 3.5Å; R267-R270 WeakPolarHBondContact CA-O 3.37Å; R267-R270 CarbonylContact O-C 3.35Å; R270-A273 VanDerWaalsContact O-CB 3.24Å; R270-A273 WeakPolarHBondContact O-CB 3.32Å; R270-A273 PolarHBondContact O-N 2.75Å |
| 271 | A | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 148.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | P57 P80 L82 V235 R267 A273 | P57-A271 HydrophobicContact CG-CB 3.78Å; P80-A271 HydrophobicContact CG-CB 3.9Å; L82-A271 HydrophobicContact CD1-CB 4.22Å; L82-A271 HydrophobicContact CD2-CB 4.12Å; L82-A271 HydrophobicContact CG-CB 3.98Å; V235-A271 VanDerWaalsContact CG1-O 3.27Å; V235-A271 WeakPolarHBondContact CG1-O 3.47Å; R267-A271 WeakPolarHBondContact O-CA 3.42Å; R267-A271 PolarHBondContact O-N 3.08Å; A271-A273 PolarHBondContact O-N 3.15Å |
| 272 | M | 97.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 13.7 | 179.5 | -48.4 | -56.9 | -69.7 | 0 | 0 | 115.7 | R56 | R56-M272 HydrophobicContact CB-SD 4.12Š|
| 273 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -58.7 | 142 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M115 V235 V266 R267 R270 A271 | M115-A273 HydrophobicContact CE-CB 4.1Å; V235-A273 VanDerWaalsContact O-CA 3.31Å; V235-A273 WeakPolarHBondContact O-CA 3.37Å; V266-A273 HydrophobicContact CB-CB 4.36Å; V266-A273 HydrophobicContact CG1-CB 3.49Å; V266-A273 VanDerWaalsContact CG1-CB 3.49Å; R267-A273 HydrophobicContact CG-CB 4.17Å; R267-A273 WeakPolarHBondContact CG-O 3.46Å; R267-A273 PolarHBondContact NE-O 2.84Å; R270-A273 VanDerWaalsContact O-CB 3.24Å; R270-A273 WeakPolarHBondContact O-CB 3.32Å; R270-A273 PolarHBondContact O-N 2.75Å; A271-A273 PolarHBondContact O-N 3.15Å | ||
| 274 | V | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 56.1 | 84.4 | -164.5 | -169 | 0 | 0 | 0 | 0 | 109.2 | V235 V263 R267 Q279 Y280 L283 | V235-V274 PolarHBondContact O-N 2.86Å; V235-V274 VanDerWaalsContact O-N 3.14Å; V263-V274 HydrophobicContact CG1-CB 3.87Å; V263-V274 HydrophobicContact CG1-CG2 3.79Å; V263-V274 HydrophobicContact CG2-CG2 4.05Å; R267-V274 PolarHBondContact NH2-O 2.85Å; V274-Q279 HydrophobicContact CG1-CB 3.8Å; V274-Y280 HydrophobicContact CG1-CD2 4.22Å; V274-L283 HydrophobicContact CG1-CD1 4.5Å; V274-L283 HydrophobicContact CG2-CD1 4.32Å |
| 275 | Q | 94.2 | Very high | 95 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | trans | -89.5 | -20.4 | -156.9 | -172.6 | 179.3 | 9.7 | 0 | 0 | 113.6 | Y49 V235 | Y49-Q275 PolarHBondContact OH-O 2.97Å; V235-Q275 HydrophobicContact CG2-CB 4.38Å; V235-Q275 HydrophobicContact CG2-CG 4.42Å | ||
| 276 | G | 91.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -128.1 | 153.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y49 E278 Q279 Y280 | Y49-G276 VanDerWaalsContact OH-CA 3.31Å; Y49-G276 WeakPolarHBondContact OH-CA 3.35Å; Y49-G276 PolarHBondContact OH-N 2.98Å; G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 VanDerWaalsContact CA-OE2 3.25Å; G276-E278 WeakPolarHBondContact CA-OE2 2.86Å; G276-E278 PolarHBondContact O-N 2.85Å; G276-Q279 WeakPolarHBondContact O-CB 3.47Å; G276-Q279 PolarHBondContact O-N 3.39Å; G276-Q279 VanDerWaalsContact O-N 3.07Å; G276-Y280 PolarHBondContact O-N 2.8Å |
| 277 | P | 93.8 | Very high | 94 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.5 | -30.5 | 178 | 27.8 | -36.8 | 0 | 0 | 0 | 112 | Y49 Q279 Y280 L281 | Y49-P277 HydrophobicContact CD1-CB 3.93Å; Y49-P277 HydrophobicContact CE1-CB 3.94Å; Y49-P277 HydrophobicContact CE1-CG 4.4Å; Y49-P277 HydrophobicContact CG-CB 4.45Å; P277-Q279 VanDerWaalsContact C-N 3.3Å; P277-Q279 PolarHBondContact O-N 3.06Å; P277-Y280 PolarHBondContact O-N 2.9Å; P277-L281 WeakPolarHBondContact O-CB 3.33Å; P277-L281 PolarHBondContact O-N 2.95Å |
| 278 | E | 90.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.1 | -34.8 | 175.6 | 77.1 | -63.9 | 159 | 0 | 0 | 112.2 | G276 F282 | G276-E278 VanDerWaalsContact C-OE2 3.22Å; G276-E278 VanDerWaalsContact CA-OE2 3.25Å; G276-E278 WeakPolarHBondContact CA-OE2 2.86Å; G276-E278 PolarHBondContact O-N 2.85Å; E278-F282 WeakPolarHBondContact O-CB 3.24Å; E278-F282 PolarHBondContact O-N 3.3Å |
| 279 | Q | 92.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.2 | -29.4 | 175.6 | -67 | 159.3 | 38 | 0 | 0 | 112 | V274 G276 P277 | V274-Q279 HydrophobicContact CG1-CB 3.8Å; G276-Q279 WeakPolarHBondContact O-CB 3.47Å; G276-Q279 PolarHBondContact O-N 3.39Å; G276-Q279 VanDerWaalsContact O-N 3.07Å; P277-Q279 VanDerWaalsContact C-N 3.3Å; P277-Q279 PolarHBondContact O-N 3.06Å |
| 280 | Y | 95.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.8 | -47 | 175.6 | -169.2 | -104.9 | 0 | 0 | 0 | 111.3 | I45 E48 Y49 L53 V259 C260 V263 V274 G276 P277 F282 L283 Y284 | I45-Y280 HydrophobicContact CG2-CD1 3.85Å; I45-Y280 HydrophobicContact CG2-CE1 3.99Å; I45-Y280 WeakPolarHBondContact O-CE1 3.49Å; E48-Y280 HydrophobicContact CB-CE1 4.02Å; E48-Y280 PolarHBondContact OE2-OH 2.81Å; Y49-Y280 VanDerWaalsContact CD2-CB 3.49Å; Y49-Y280 HydrophobicContact CD2-CD1 4.16Å; Y49-Y280 HydrophobicContact CD2-CD2 4.08Å; Y49-Y280 AromaticContact CD2-CG 3.66Å; Y49-Y280 HydrophobicContact CD2-CG 3.66Å; Y49-Y280 HydrophobicContact CG-CD1 4.34Å; Y49-Y280 HydrophobicContact CG-CG 4.29Å; L53-Y280 HydrophobicContact CD1-CD2 3.98Å; L53-Y280 HydrophobicContact CD1-CE2 3.86Å; L53-Y280 HydrophobicContact CD2-CE2 4.29Å; L53-Y280 HydrophobicContact CG-CE2 4.47Å; V259-Y280 HydrophobicContact CG1-CE2 3.89Å; C260-Y280 WeakPolarHBondContact CA-OH 3.18Å; C260-Y280 WeakPolarHBondContact CB-OH 3.38Å; C260-Y280 PolarHBondContact N-OH 2.84Å; V263-Y280 HydrophobicContact CB-CD2 4.48Å; V263-Y280 HydrophobicContact CB-CE2 4.06Å; V263-Y280 HydrophobicContact CG1-CD2 4.33Å; V263-Y280 HydrophobicContact CG1-CE2 4.28Å; V263-Y280 HydrophobicContact CG2-CD2 4.09Å; V263-Y280 HydrophobicContact CG2-CE2 3.86Å; V274-Y280 HydrophobicContact CG1-CD2 4.22Å; G276-Y280 PolarHBondContact O-N 2.8Å; P277-Y280 PolarHBondContact O-N 2.9Å; Y280-F282 VanDerWaalsContact C-N 3.27Å; Y280-F282 PolarHBondContact O-N 2.82Å; Y280-L283 HydrophobicContact CD2-CD1 4.47Å; Y280-L283 WeakPolarHBondContact O-CB 3.4Å; Y280-L283 PolarHBondContact O-N 2.79Å; Y280-L283 VanDerWaalsContact O-N 3.07Å; Y280-Y284 HydrophobicContact CD1-CE2 4.26Å; Y280-Y284 HydrophobicContact CE1-CD2 4.44Å; Y280-Y284 AromaticContact CE1-CE2 3.69Å; Y280-Y284 HydrophobicContact CE1-CE2 3.69Å |
| 281 | L | 92.4 | Very high | 90 | Very high | 76 Ų | 76 | 37 Ų | 37 | 40% | 0.398 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.6 | -36 | 172.7 | -176.9 | 63.3 | 0 | 0 | 0 | 111.9 | L42 I45 P277 L283 Y284 W285 | L42-L281 HydrophobicContact CD2-CD1 3.98Å; I45-L281 HydrophobicContact CD1-CD1 4.28Å; I45-L281 HydrophobicContact CG2-CD1 4.17Å; P277-L281 WeakPolarHBondContact O-CB 3.33Å; P277-L281 PolarHBondContact O-N 2.95Å; L281-L283 VanDerWaalsContact C-N 3.25Å; L281-L283 PolarHBondContact O-N 2.68Å; L281-Y284 WeakPolarHBondContact O-CB 3.41Å; L281-Y284 PolarHBondContact O-N 2.68Å; L281-Y284 VanDerWaalsContact O-N 3.14Å; L281-W285 PolarHBondContact O-N 2.89Å |
| 282 | F | 91 | Very high | 88.1 | Confident | 41 Ų | 41 | 38 Ų | 38 | 18% | 0.18 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -33.3 | 173.4 | 173.2 | -90.9 | 0 | 0 | 0 | 113.1 | W211 H214 T240 L244 E278 Y280 W285 A286 | W211-F282 AromaticContact CD1-CZ 3.78Å; W211-F282 AromaticContact NE1-CE1 3.69Å; W211-F282 AromaticContact NE1-CZ 3.45Å; H214-F282 AromaticContact CD2-CZ 3.41Å; H214-F282 VanDerWaalsContact CD2-CZ 3.41Å; H214-F282 WeakPolarHBondContact CD2-CZ 3.38Å; H214-F282 AromaticContact NE2-CE2 3.43Å; H214-F282 WeakPolarHBondContact NE2-CE2 3.44Å; H214-F282 AromaticContact NE2-CZ 3.26Å; H214-F282 VanDerWaalsContact NE2-CZ 3.26Å; H214-F282 WeakPolarHBondContact NE2-CZ 3.43Å; T240-F282 HydrophobicContact CG2-CD1 3.55Å; T240-F282 HydrophobicContact CG2-CE1 3.89Å; L244-F282 HydrophobicContact CD2-CE1 4.36Å; E278-F282 WeakPolarHBondContact O-CB 3.24Å; E278-F282 PolarHBondContact O-N 3.3Å; Y280-F282 VanDerWaalsContact C-N 3.27Å; Y280-F282 PolarHBondContact O-N 2.82Å; F282-W285 AromaticContact CD2-CE3 3.86Å; F282-W285 HydrophobicContact CD2-CE3 3.86Å; F282-W285 HydrophobicContact CD2-CZ3 4.19Å; F282-W285 AromaticContact CE2-CE3 3.9Å; F282-W285 HydrophobicContact CE2-CE3 3.9Å; F282-W285 AromaticContact CE2-CZ3 3.81Å; F282-W285 HydrophobicContact CE2-CZ3 3.81Å; F282-W285 PolarHBondContact O-N 2.83Å; F282-A286 HydrophobicContact CE1-CB 4.31Å; F282-A286 HydrophobicContact CZ-CB 4.42Å; F282-A286 VanDerWaalsContact O-CB 3.24Å; F282-A286 WeakPolarHBondContact O-CB 3.24Å; F282-A286 PolarHBondContact O-N 3.47Å |
| 283 | L | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.1 | -65.4 | 172 | 0 | 0 | 0 | 111.3 | T240 A243 L244 L247 V259 V263 V274 Y280 L281 L287 | T240-L283 HydrophobicContact CG2-CD2 3.77Å; T240-L283 HydrophobicContact CG2-CG 4.26Å; T240-L283 WeakPolarHBondContact O-CD2 3.47Å; A243-L283 HydrophobicContact CB-CD1 4.06Å; A243-L283 HydrophobicContact CB-CD2 4.23Å; L244-L283 HydrophobicContact CB-CD2 3.79Å; L244-L283 HydrophobicContact CD1-CD2 4.37Å; L247-L283 HydrophobicContact CD1-CB 4.42Å; L247-L283 HydrophobicContact CD1-CD1 4.39Å; L247-L283 HydrophobicContact CD1-CD2 4.39Å; V259-L283 HydrophobicContact CG1-CB 4Å; V259-L283 HydrophobicContact CG1-CD1 3.98Å; V263-L283 HydrophobicContact CG2-CD1 3.42Å; V263-L283 VanDerWaalsContact CG2-CD1 3.42Å; V274-L283 HydrophobicContact CG1-CD1 4.5Å; V274-L283 HydrophobicContact CG2-CD1 4.32Å; Y280-L283 HydrophobicContact CD2-CD1 4.47Å; Y280-L283 WeakPolarHBondContact O-CB 3.4Å; Y280-L283 PolarHBondContact O-N 2.79Å; Y280-L283 VanDerWaalsContact O-N 3.07Å; L281-L283 VanDerWaalsContact C-N 3.25Å; L281-L283 PolarHBondContact O-N 2.68Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 WeakPolarHBondContact O-CD1 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3.45Å; L283-L287 VanDerWaalsContact O-N 3.13Å |
| 284 | Y | 92.6 | Very high | 83.8 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.3 | -78.5 | -89 | 0 | 0 | 0 | 111 | W30 M34 I45 E48 V259 Y280 L281 A286 L287 T288 | W30-Y284 AromaticContact CH2-CD1 3.88Å; W30-Y284 HydrophobicContact CH2-CD1 3.88Å; W30-Y284 HydrophobicContact CH2-CE1 4.28Å; W30-Y284 AromaticContact CZ2-CD1 3.64Å; W30-Y284 HydrophobicContact CZ2-CD1 3.64Å; W30-Y284 AromaticContact CZ2-CE1 3.57Å; W30-Y284 HydrophobicContact CZ2-CE1 3.57Å; M34-Y284 HydrophobicContact CE-CD1 4.36Å; M34-Y284 HydrophobicContact SD-CD1 3.65Å; M34-Y284 HydrophobicContact SD-CE1 3.94Å; I45-Y284 HydrophobicContact CB-CE2 4.41Å; I45-Y284 HydrophobicContact CD1-CD1 3.72Å; I45-Y284 HydrophobicContact CD1-CD2 3.94Å; I45-Y284 HydrophobicContact CD1-CE1 3.99Å; I45-Y284 HydrophobicContact CD1-CE2 4.2Å; I45-Y284 HydrophobicContact CD1-CG 3.69Å; I45-Y284 HydrophobicContact CG1-CD1 4.18Å; I45-Y284 HydrophobicContact CG1-CD2 4.02Å; I45-Y284 HydrophobicContact CG1-CE1 3.94Å; I45-Y284 HydrophobicContact CG1-CE2 3.78Å; I45-Y284 HydrophobicContact CG1-CG 4.21Å; I45-Y284 HydrophobicContact CG2-CD2 3.93Å; I45-Y284 HydrophobicContact CG2-CE2 3.94Å; E48-Y284 VanDerWaalsContact CD-OH 3.31Å; E48-Y284 PolarHBondContact OE1-OH 2.95Å; E48-Y284 PolarHBondContact OE2-OH 3.05Å; V259-Y284 HydrophobicContact CB-CD2 4.45Å; V259-Y284 HydrophobicContact CB-CE1 4.42Å; V259-Y284 HydrophobicContact CB-CE2 3.73Å; V259-Y284 HydrophobicContact CG1-CD2 4.07Å; V259-Y284 HydrophobicContact CG1-CE2 3.61Å; V259-Y284 HydrophobicContact CG2-CD1 4.31Å; V259-Y284 HydrophobicContact CG2-CD2 4.32Å; V259-Y284 HydrophobicContact CG2-CE1 3.94Å; V259-Y284 HydrophobicContact CG2-CE2 3.95Å; V259-Y284 HydrophobicContact CG2-CG 4.49Å; Y280-Y284 HydrophobicContact CD1-CE2 4.26Å; Y280-Y284 HydrophobicContact CE1-CD2 4.44Å; Y280-Y284 AromaticContact CE1-CE2 3.69Å; Y280-Y284 HydrophobicContact CE1-CE2 3.69Å; L281-Y284 WeakPolarHBondContact O-CB 3.41Å; L281-Y284 PolarHBondContact O-N 2.68Å; L281-Y284 VanDerWaalsContact O-N 3.14Å; Y284-A286 PolarHBondContact O-N 3.22Å; Y284-L287 PolarHBondContact O-N 2.88Å; Y284-T288 WeakPolarHBondContact O-CG2 3.41Å; Y284-T288 PolarHBondContact O-N 2.89Å; Y284-T288 PolarHBondContact O-OG1 2.9Å |
| 285 | W | 88.3 | Confident | 81 | Confident | 136 Ų | 136 | 46.3 Ų | 46.3 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 179 | 178.3 | 75.5 | 0 | 0 | 0 | 112.8 | H214 L281 F282 L287 T288 V289 | H214-W285 AromaticContact CE1-CH2 3.87Å; H214-W285 AromaticContact CE1-CZ3 3.41Å; H214-W285 VanDerWaalsContact CE1-CZ3 3.41Å; H214-W285 WeakPolarHBondContact CE1-CZ3 3.37Å; H214-W285 AromaticContact NE2-CE3 3.92Å; H214-W285 AromaticContact NE2-CZ3 3.32Å; H214-W285 VanDerWaalsContact NE2-CZ3 3.32Å; H214-W285 WeakPolarHBondContact NE2-CZ3 3.17Å; L281-W285 PolarHBondContact O-N 2.89Å; F282-W285 AromaticContact CD2-CE3 3.86Å; F282-W285 HydrophobicContact CD2-CE3 3.86Å; F282-W285 HydrophobicContact CD2-CZ3 4.19Å; F282-W285 AromaticContact CE2-CE3 3.9Å; F282-W285 HydrophobicContact CE2-CE3 3.9Å; F282-W285 AromaticContact CE2-CZ3 3.81Å; F282-W285 HydrophobicContact CE2-CZ3 3.81Å; F282-W285 PolarHBondContact O-N 2.83Å; W285-L287 VanDerWaalsContact C-N 3.3Å; W285-L287 PolarHBondContact O-N 3.05Å; W285-T288 WeakPolarHBondContact CA-OG1 3.47Å; W285-T288 PolarHBondContact O-N 3.1Å; W285-T288 VanDerWaalsContact O-N 3.07Å; W285-T288 PolarHBondContact O-OG1 3.5Å; W285-V289 HydrophobicContact CD2-CG2 4.08Å; W285-V289 HydrophobicContact CG-CG2 4.49Å; W285-V289 HydrophobicContact CH2-CG2 4.41Å; W285-V289 HydrophobicContact CZ2-CG2 3.77Å; W285-V289 WeakPolarHBondContact O-CG2 3.35Å; W285-V289 PolarHBondContact O-N 3.22Å |
| 286 | A | 86.4 | Confident | 78.2 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L244 F282 Y284 V289 Q290 | L244-A286 HydrophobicContact CD1-CB 3.87Å; L244-A286 HydrophobicContact CD2-CB 4.12Å; F282-A286 HydrophobicContact CE1-CB 4.31Å; F282-A286 HydrophobicContact CZ-CB 4.42Å; F282-A286 VanDerWaalsContact O-CB 3.24Å; F282-A286 WeakPolarHBondContact O-CB 3.24Å; F282-A286 PolarHBondContact O-N 3.47Å; Y284-A286 PolarHBondContact O-N 3.22Å; A286-V289 PolarHBondContact O-N 3.26Å; A286-Q290 WeakPolarHBondContact O-CB 3.29Å; A286-Q290 PolarHBondContact O-N 3.09Å |
| 287 | L | 87.7 | Confident | 75.5 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 173.4 | -68.6 | 165.6 | 0 | 0 | 0 | 111.8 | W30 L244 L247 V248 V251 P257 V259 L283 Y284 W285 Q290 L291 | W30-L287 HydrophobicContact CH2-CB 4.14Å; W30-L287 HydrophobicContact CH2-CD1 3.97Å; W30-L287 HydrophobicContact CZ3-CB 4.03Å; W30-L287 HydrophobicContact CZ3-CD1 4.48Å; L244-L287 HydrophobicContact CD1-CD2 4.4Å; L244-L287 HydrophobicContact CD1-CG 4.38Å; L247-L287 HydrophobicContact CB-CD1 4.05Å; L247-L287 HydrophobicContact CB-CD2 3.85Å; L247-L287 HydrophobicContact CB-CG 4.45Å; L247-L287 HydrophobicContact CD1-CD1 4.19Å; L247-L287 HydrophobicContact CG-CD1 4.48Å; V248-L287 HydrophobicContact CG2-CD2 4.23Å; V251-L287 HydrophobicContact CG2-CD2 3.98Å; P257-L287 HydrophobicContact CB-CD1 3.7Å; P257-L287 HydrophobicContact CB-CD2 4.31Å; P257-L287 HydrophobicContact CG-CD1 3.94Å; V259-L287 HydrophobicContact CG2-CD1 3.9Å; L283-L287 WeakPolarHBondContact O-CB 3.42Å; L283-L287 WeakPolarHBondContact O-CD1 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3.45Å; L283-L287 VanDerWaalsContact O-N 3.13Å; Y284-L287 PolarHBondContact O-N 2.88Å; W285-L287 VanDerWaalsContact C-N 3.3Å; W285-L287 PolarHBondContact O-N 3.05Å; L287-Q290 PolarHBondContact O-N 2.85Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 2.87Å |
| 288 | T | 84.2 | Confident | 72.6 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.3 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | I31 M34 Y284 W285 G292 | I31-T288 HydrophobicContact CD1-CG2 4.06Å; I31-T288 HydrophobicContact CG1-CG2 4.08Å; I31-T288 HydrophobicContact CG2-CG2 4.37Å; M34-T288 HydrophobicContact CE-CG2 3.59Å; Y284-T288 WeakPolarHBondContact O-CG2 3.41Å; Y284-T288 PolarHBondContact O-N 2.89Å; Y284-T288 PolarHBondContact O-OG1 2.9Å; W285-T288 WeakPolarHBondContact CA-OG1 3.47Å; W285-T288 PolarHBondContact O-N 3.1Å; W285-T288 VanDerWaalsContact O-N 3.07Å; W285-T288 PolarHBondContact O-OG1 3.5Å; T288-G292 PolarHBondContact O-N 2.65Å |
| 289 | V | 79.9 | Confident | 69.9 | Low | 51 Ų | 51 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67 | -47.3 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | W285 A286 L291 G292 D293 | W285-V289 HydrophobicContact CD2-CG2 4.08Å; W285-V289 HydrophobicContact CG-CG2 4.49Å; W285-V289 HydrophobicContact CH2-CG2 4.41Å; W285-V289 HydrophobicContact CZ2-CG2 3.77Å; W285-V289 WeakPolarHBondContact O-CG2 3.35Å; W285-V289 PolarHBondContact O-N 3.22Å; A286-V289 PolarHBondContact O-N 3.26Å; V289-L291 VanDerWaalsContact C-N 3.29Å; V289-L291 PolarHBondContact O-N 3.18Å; V289-G292 WeakPolarHBondContact O-CA 3.48Å; V289-G292 PolarHBondContact O-N 2.8Å; V289-D293 PolarHBondContact O-N 2.98Å |
| 290 | Q | 74.1 | Confident | 67 | Low | 58 Ų | 58 | 60.1 Ų | 60.1 | 27% | 0.271 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | -179.8 | 178.9 | 167 | -18.8 | 0 | 0 | 112.8 | V248 A286 L287 L294 | V248-Q290 VanDerWaalsContact CG1-NE2 3.34Å; A286-Q290 WeakPolarHBondContact O-CB 3.29Å; A286-Q290 PolarHBondContact O-N 3.09Å; L287-Q290 PolarHBondContact O-N 2.85Å; Q290-L294 WeakPolarHBondContact O-CD1 3.43Å; Q290-L294 WeakPolarHBondContact O-CG 3.31Å; Q290-L294 PolarHBondContact O-N 3.37Å |
| 291 | L | 71.8 | Confident | 64.2 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78 | -27.6 | 173.7 | -78.2 | 163.3 | 0 | 0 | 0 | 112.9 | L21 P27 I31 V251 L287 V289 L294 S295 | L21-L291 HydrophobicContact CD1-CD2 3.24Å; P27-L291 HydrophobicContact CB-CD1 3.78Å; P27-L291 HydrophobicContact CB-CD2 3.79Å; P27-L291 HydrophobicContact CB-CG 4.47Å; I31-L291 HydrophobicContact CD1-CB 3.3Å; I31-L291 HydrophobicContact CD1-CD1 3.49Å; I31-L291 VanDerWaalsContact CD1-CD1 3.49Å; I31-L291 HydrophobicContact CD1-CG 3.98Å; I31-L291 HydrophobicContact CG1-CD1 4.16Å; V251-L291 HydrophobicContact CG1-CD1 4.01Å; V251-L291 HydrophobicContact CG1-CD2 3.64Å; V251-L291 HydrophobicContact CG1-CG 3.89Å; V251-L291 HydrophobicContact CG2-CD1 4.25Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 2.87Å; V289-L291 VanDerWaalsContact C-N 3.29Å; V289-L291 PolarHBondContact O-N 3.18Å; L291-L294 HydrophobicContact CD2-CD1 4.43Å; L291-L294 PolarHBondContact O-N 3.14Å; L291-S295 WeakPolarHBondContact O-CB 3.2Å; L291-S295 PolarHBondContact O-N 2.78Å; L291-S295 PolarHBondContact O-OG 3.24Å |
| 292 | G | 59.9 | Low | 61.1 | Low | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T288 V289 L294 S295 V296 | T288-G292 PolarHBondContact O-N 2.65Å; V289-G292 WeakPolarHBondContact O-CA 3.48Å; V289-G292 PolarHBondContact O-N 2.8Å; G292-L294 PolarHBondContact O-N 2.82Å; G292-S295 PolarHBondContact O-N 2.94Å; G292-S295 PolarHBondContact O-OG 3Å; G292-V296 WeakPolarHBondContact O-CG2 3.32Å; G292-V296 PolarHBondContact O-N 2.86Å |
| 293 | D | 55.2 | Low | 58.4 | Low | 111 Ų | 111 | 71.7 Ų | 71.7 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | 174.4 | -82.8 | -17.4 | 0 | 0 | 0 | 111.7 | V289 Y297 | V289-D293 PolarHBondContact O-N 2.98Å; D293-Y297 PolarHBondContact O-N 2.69Å |
| 294 | L | 48.9 | Very low | 56.7 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 174.5 | -74.7 | 162.5 | 0 | 0 | 0 | 112.3 | L21 Q290 L291 G292 L298 | L21-L294 HydrophobicContact CD1-CD1 3.92Å; Q290-L294 WeakPolarHBondContact O-CD1 3.43Å; Q290-L294 WeakPolarHBondContact O-CG 3.31Å; Q290-L294 PolarHBondContact O-N 3.37Å; L291-L294 HydrophobicContact CD2-CD1 4.43Å; L291-L294 PolarHBondContact O-N 3.14Å; G292-L294 PolarHBondContact O-N 2.82Å; L294-L298 WeakPolarHBondContact O-CD1 3.22Å; L294-L298 VanDerWaalsContact O-CG 3.29Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 2.92Å |
| 295 | S | 37.8 | Very low | 54.8 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -78.3 | -33.9 | -179.8 | 72 | 0 | 0 | 0 | 0 | 113.5 | L291 G292 L298 I299 | L291-S295 WeakPolarHBondContact O-CB 3.2Å; L291-S295 PolarHBondContact O-N 2.78Å; L291-S295 PolarHBondContact O-OG 3.24Å; G292-S295 PolarHBondContact O-N 2.94Å; G292-S295 PolarHBondContact O-OG 3Å; S295-L298 PolarHBondContact O-N 2.86Å; S295-I299 WeakPolarHBondContact O-CG1 3.3Å; S295-I299 PolarHBondContact O-N 3.39Å |
| 296 | V | 36.5 | Very low | 52.9 | Low | 78 Ų | 78 | 75.1 Ų | 75.1 | 47% | 0.473 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | G292 L298 I299 L300 | G292-V296 WeakPolarHBondContact O-CG2 3.32Å; G292-V296 PolarHBondContact O-N 2.86Å; V296-L298 VanDerWaalsContact C-N 3.31Å; V296-L298 PolarHBondContact O-N 3.31Å; V296-I299 PolarHBondContact O-N 3.15Å; V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 WeakPolarHBondContact O-CG 3.38Å; V296-L300 PolarHBondContact O-N 3.43Å |
| 297 | Y | 33.3 | Very low | 51 | Low | 176 Ų | 176 | 79.3 Ų | 79.3 | 69% | 0.69 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 171.3 | -113.7 | -80.8 | 0 | 0 | 0 | 112.7 | D293 L300 C301 | D293-Y297 PolarHBondContact O-N 2.69Å; Y297-L300 PolarHBondContact O-N 3.47Å; Y297-C301 WeakPolarHBondContact O-CB 3.32Å; Y297-C301 PolarHBondContact O-N 3.31Å; Y297-C301 PolarHBondContact O-SG 3.03Å |
| 298 | L | 32.7 | Very low | 48.7 | Very low | 85 Ų | 85 | 84.1 Ų | 84.1 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 177.2 | -72.2 | 160.8 | 0 | 0 | 0 | 113.2 | L21 L294 S295 V296 G302 | L21-L298 WeakPolarHBondContact O-CD1 3.29Å; L294-L298 WeakPolarHBondContact O-CD1 3.22Å; L294-L298 VanDerWaalsContact O-CG 3.29Å; L294-L298 WeakPolarHBondContact O-CG 3.4Å; L294-L298 PolarHBondContact O-N 2.92Å; S295-L298 PolarHBondContact O-N 2.86Å; V296-L298 VanDerWaalsContact C-N 3.31Å; V296-L298 PolarHBondContact O-N 3.31Å; L298-G302 PolarHBondContact O-N 2.84Å |
| 299 | I | 34.9 | Very low | 46.3 | Very low | 108 Ų | 108 | 86.9 Ų | 86.9 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.5 | -38 | 173.5 | -68.5 | 164.5 | 0 | 0 | 0 | 110.7 | S295 V296 | S295-I299 WeakPolarHBondContact O-CG1 3.3Å; S295-I299 PolarHBondContact O-N 3.39Å; V296-I299 PolarHBondContact O-N 3.15Å |
| 300 | L | 31.5 | Very low | 43.9 | Very low | 136 Ų | 136 | 89.5 Ų | 89.5 | 71% | 0.712 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -81.4 | -15.8 | -179.3 | -67.8 | 173.1 | 0 | 0 | 0 | 114.6 | V296 Y297 | V296-L300 HydrophobicContact CG1-CD1 4.03Å; V296-L300 WeakPolarHBondContact O-CG 3.38Å; V296-L300 PolarHBondContact O-N 3.43Å; Y297-L300 PolarHBondContact O-N 3.47Å |
| 301 | C | 36.3 | Very low | 41.6 | Very low | 98 Ų | 98 | 91.9 Ų | 91.9 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 18.7 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | Y297 | Y297-C301 WeakPolarHBondContact O-CB 3.32Å; Y297-C301 PolarHBondContact O-N 3.31Å; Y297-C301 PolarHBondContact O-SG 3.03Å |
| 302 | G | 28.1 | Very low | 39 | Very low | 60 Ų | 60 | 99.1 Ų | 99.1 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | trans | -111.5 | 19 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L298 | L298-G302 PolarHBondContact O-N 2.84Š| ||
| 303 | V | 33.4 | Very low | 37.1 | Very low | 202 Ų | 202 | 106 Ų | 106 | 100% | 1.224 | 60% | 0.603 | S | S | * | * | trans | -135.9 | 0 | 172.6 | -175.5 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 303 of 303 residues in 310.4 ms
(Link to these results)