| 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 | 32.7 | Very low | 41.6 | Very low | 238 Ų | 238 | 111.2 Ų | 111.2 | 100% | 1.172 | 54% | 0.541 | S | S | * | . | 0 | 111.8 | 0 | -71.4 | 167.3 | 85.6 | 0 | 0 | 107.7 | Q3 | M1-Q3 PolarHBondContact O-N 3.1Š| |||
| 2 | S | 36.3 | Very low | 42.1 | Very low | 120 Ų | 120 | 103.1 Ų | 103.1 | 84% | 0.839 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 127.9 | 176.8 | 168.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 3 | Q | 37.6 | Very low | 42.4 | Very low | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 136.5 | 176.8 | -70.2 | -162.8 | -0.2 | 0 | 0 | 109.5 | M1 K5 T9 | M1-Q3 PolarHBondContact O-N 3.1Å; Q3-K5 PolarHBondContact O-N 3.47Å; Q3-T9 PolarHBondContact OE1-OG1 3.07Å |
| 4 | P | 39.4 | Very low | 43.1 | Very low | 51 Ų | 51 | 94.4 Ų | 94.4 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 125 | 179.4 | 20.2 | -27.3 | 0 | 0 | 0 | 109.7 | Y6 Y7 I122 | P4-Y6 HydrophobicContact CB-CD2 4.45Å; P4-Y6 PolarHBondContact O-N 3.27Å; P4-Y7 PolarHBondContact O-N 3.13Å; P4-I122 HydrophobicContact CB-CD1 4.07Å; P4-I122 HydrophobicContact CG-CD1 3.49Å; P4-I122 VanDerWaalsContact CG-CD1 3.49Å |
| 5 | K | 49.2 | Very low | 43.8 | Very low | 188 Ų | 188 | 89.8 Ų | 89.8 | 82% | 0.817 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -20.7 | -179 | -69.5 | -175.5 | 176.9 | -176.9 | 0 | 113.7 | Q3 Y7 | Q3-K5 PolarHBondContact O-N 3.47Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; K5-Y7 PolarHBondContact O-N 3.18Å |
| 6 | Y | 47.7 | Very low | 44.5 | Very low | 67 Ų | 67 | 84.4 Ų | 84.4 | 26% | 0.263 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.6 | -173 | -54.8 | -84.4 | 0 | 0 | 0 | 114.4 | P4 E200 I232 F291 | P4-Y6 HydrophobicContact CB-CD2 4.45Å; P4-Y6 PolarHBondContact O-N 3.27Å; Y6-E200 HydrophobicContact CD2-CG 4.47Å; Y6-E200 HydrophobicContact CE2-CG 3.92Å; Y6-E200 VanDerWaalsContact CE2-OE1 3.3Å; Y6-E200 WeakPolarHBondContact CE2-OE1 3.39Å; Y6-E200 WeakPolarHBondContact CE2-OE2 3.28Å; Y6-E200 VanDerWaalsContact CZ-CD 3.47Å; Y6-E200 VanDerWaalsContact OH-CD 3.28Å; Y6-E200 PolarHBondContact OH-OE1 3.11Å; Y6-I232 VanDerWaalsContact CB-CD1 3.47Å; Y6-I232 HydrophobicContact CD1-CD1 4.33Å; Y6-I232 HydrophobicContact CG-CD1 3.84Å; Y6-F291 WeakPolarHBondContact O-CE2 2.77Å |
| 7 | Y | 44.4 | Very low | 44.8 | Very low | 15 Ų | 15 | 82.2 Ų | 82.2 | 6% | 0.059 | 42% | 0.417 | C | S | . | . | trans | -135.1 | 103.5 | 169.2 | -66.7 | -64.7 | 0 | 0 | 0 | 107.8 | P4 K5 T9 I12 I122 I232 A234 G288 | P4-Y7 PolarHBondContact O-N 3.13Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; K5-Y7 PolarHBondContact O-N 3.18Å; Y7-T9 PolarHBondContact O-N 3.34Å; Y7-I12 HydrophobicContact CD1-CD1 3.54Å; Y7-I12 HydrophobicContact CE1-CD1 4.25Å; Y7-I12 HydrophobicContact CG-CD1 4.01Å; Y7-I122 HydrophobicContact CD2-CD1 4.36Å; Y7-I122 HydrophobicContact CE2-CD1 4.43Å; Y7-I122 HydrophobicContact CE2-CG1 4.47Å; Y7-I232 HydrophobicContact CE2-CB 3.9Å; Y7-I232 HydrophobicContact CE2-CD1 4.31Å; Y7-I232 HydrophobicContact CE2-CG2 3.39Å; Y7-I232 VanDerWaalsContact OH-C 3.29Å; Y7-I232 WeakPolarHBondContact OH-CB 3.22Å; Y7-I232 WeakPolarHBondContact OH-CG2 3.04Å; Y7-I232 PolarHBondContact OH-O 3.22Å; Y7-I232 VanDerWaalsContact OH-O 3.06Å; Y7-A234 HydrophobicContact CE2-CB 4.24Å; Y7-G288 PolarHBondContact OH-O 2.86Å | ||
| 8 | Q | 45.5 | Very low | 45.2 | Very low | 96 Ų | 96 | 88 Ų | 88 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | trans | -61.7 | 96.6 | 158.7 | -84.2 | 179.9 | -11.4 | 0 | 0 | 106.4 | Q10 R11 I12 | Q8-Q10 PolarHBondContact O-N 3.34Å; Q8-R11 HydrophobicContact CB-CB 4.39Å; Q8-R11 HydrophobicContact CB-CG 4.23Å; Q8-R11 PolarHBondContact O-N 3.49Å; Q8-I12 PolarHBondContact O-N 3.19Å | ||
| 9 | T | 39.7 | Very low | 45.5 | Very low | 32 Ų | 32 | 84.3 Ų | 84.3 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -47.9 | -33.3 | 175.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | Q3 Y7 R11 I12 N13 | Q3-T9 PolarHBondContact OE1-OG1 3.07Å; Y7-T9 PolarHBondContact O-N 3.34Å; T9-R11 PolarHBondContact O-N 3.08Å; T9-I12 PolarHBondContact O-N 2.72Å; T9-N13 VanDerWaalsContact O-CB 3.29Å; T9-N13 WeakPolarHBondContact O-CB 3.32Å; T9-N13 PolarHBondContact O-N 3.43Å; T9-N13 PolarHBondContact O-ND2 2.94Å; T9-N13 PolarHBondContact O-OD1 3.27Å |
| 10 | Q | 40.4 | Very low | 45.7 | Very low | 158 Ų | 158 | 83.1 Ų | 83.1 | 74% | 0.738 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.4 | -40.4 | 174.1 | -64.3 | 179 | -8.9 | 0 | 0 | 114.3 | Q8 G14 | Q8-Q10 PolarHBondContact O-N 3.34Å; Q10-G14 PolarHBondContact O-N 3.43Å |
| 11 | R | 44.6 | Very low | 45.5 | Very low | 139 Ų | 139 | 83.8 Ų | 83.8 | 53% | 0.525 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -78.7 | -36.6 | -178.7 | -72 | -170.9 | -177.3 | 178.6 | 3 | 112.7 | Q8 T9 N13 G14 L15 | Q8-R11 HydrophobicContact CB-CB 4.39Å; Q8-R11 HydrophobicContact CB-CG 4.23Å; Q8-R11 PolarHBondContact O-N 3.49Å; T9-R11 PolarHBondContact O-N 3.08Å; R11-N13 VanDerWaalsContact C-N 3.34Å; R11-G14 PolarHBondContact O-N 3.07Å; R11-L15 PolarHBondContact O-N 2.91Å |
| 12 | I | 47.6 | Very low | 45.7 | Very low | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 173.8 | -66.3 | 175.5 | 0 | 0 | 0 | 109.9 | Y7 Q8 T9 G14 L15 I16 L120 I286 | Y7-I12 HydrophobicContact CD1-CD1 3.54Å; Y7-I12 HydrophobicContact CE1-CD1 4.25Å; Y7-I12 HydrophobicContact CG-CD1 4.01Å; Q8-I12 PolarHBondContact O-N 3.19Å; T9-I12 PolarHBondContact O-N 2.72Å; I12-G14 VanDerWaalsContact C-N 3.27Å; I12-G14 PolarHBondContact O-N 2.98Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.01Å; I12-L15 VanDerWaalsContact O-N 3.15Å; I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.4Å; I12-L120 HydrophobicContact CB-CD1 4.45Å; I12-L120 HydrophobicContact CD1-CD1 3.73Å; I12-L120 HydrophobicContact CG2-CD1 3.95Å; I12-I286 HydrophobicContact CD1-CD1 4Å; I12-I286 HydrophobicContact CG1-CD1 4.49Å; I12-I286 HydrophobicContact CG2-CD1 3.57Å |
| 13 | N | 46.2 | Very low | 45.5 | Very low | 55 Ų | 55 | 77.5 Ų | 77.5 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 173.1 | -70.3 | -11.7 | 0 | 0 | 0 | 111.6 | T9 R11 I16 S17 | T9-N13 VanDerWaalsContact O-CB 3.29Å; T9-N13 WeakPolarHBondContact O-CB 3.32Å; T9-N13 PolarHBondContact O-N 3.43Å; T9-N13 PolarHBondContact O-ND2 2.94Å; T9-N13 PolarHBondContact O-OD1 3.27Å; R11-N13 VanDerWaalsContact C-N 3.34Å; N13-I16 PolarHBondContact O-N 3.41Å; N13-S17 WeakPolarHBondContact O-CB 3.39Å; N13-S17 PolarHBondContact O-N 3.05Å; N13-S17 PolarHBondContact O-OG 3.38Å |
| 14 | G | 52.2 | Low | 45.4 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.7 | -29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q10 R11 I12 S17 R18 | Q10-G14 PolarHBondContact O-N 3.43Å; R11-G14 PolarHBondContact O-N 3.07Å; I12-G14 VanDerWaalsContact C-N 3.27Å; I12-G14 PolarHBondContact O-N 2.98Å; G14-S17 WeakPolarHBondContact CA-OG 3.25Å; G14-S17 PolarHBondContact O-OG 3.24Å; G14-R18 WeakPolarHBondContact O-CG 3.4Å |
| 15 | L | 54.1 | Low | 45 | Very low | 26 Ų | 26 | 77.4 Ų | 77.4 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.1 | -44.7 | 170.6 | -95.4 | 155 | 0 | 0 | 0 | 110.9 | R11 I12 S17 R18 | R11-L15 PolarHBondContact O-N 2.91Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.01Å; I12-L15 VanDerWaalsContact O-N 3.15Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.01Å; L15-R18 PolarHBondContact O-N 3.32Å |
| 16 | I | 54 | Low | 44.1 | Very low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 179.1 | -65.3 | 169.1 | 0 | 0 | 0 | 111 | I12 N13 R18 L19 I118 L238 I284 | I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.4Å; N13-I16 PolarHBondContact O-N 3.41Å; I16-R18 PolarHBondContact O-N 3.12Å; I16-L19 WeakPolarHBondContact O-CB 3.48Å; I16-L19 PolarHBondContact O-N 3.4Å; I16-I118 HydrophobicContact CB-CD1 4.35Å; I16-I118 HydrophobicContact CD1-CD1 4.24Å; I16-I118 HydrophobicContact CD1-CG2 4.3Å; I16-I118 HydrophobicContact CG2-CD1 3.71Å; I16-L238 HydrophobicContact CG2-CD1 4.32Å; I16-L238 HydrophobicContact CG2-CD2 3.66Å; I16-I284 HydrophobicContact CG1-CD1 4.41Å |
| 17 | S | 50.6 | Low | 43.2 | Very low | 46 Ų | 46 | 76.8 Ų | 76.8 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -26.2 | 178 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | N13 G14 L15 L19 V20 | N13-S17 WeakPolarHBondContact O-CB 3.39Å; N13-S17 PolarHBondContact O-N 3.05Å; N13-S17 PolarHBondContact O-OG 3.38Å; G14-S17 WeakPolarHBondContact CA-OG 3.25Å; G14-S17 PolarHBondContact O-OG 3.24Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.01Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-V20 PolarHBondContact O-N 2.86Å |
| 18 | R | 51.8 | Low | 42.3 | Very low | 187 Ų | 187 | 79.3 Ų | 79.3 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -74.2 | -22.9 | 173.3 | -67.6 | 178.5 | -169.1 | -170.9 | 1.3 | 113.3 | G14 L15 I16 | G14-R18 WeakPolarHBondContact O-CG 3.4Å; L15-R18 PolarHBondContact O-N 3.32Å; I16-R18 PolarHBondContact O-N 3.12Å |
| 19 | L | 50.5 | Low | 41.5 | Very low | 17 Ų | 17 | 83.4 Ų | 83.4 | 9% | 0.089 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.6 | 176 | -58.5 | 175.3 | 0 | 0 | 0 | 112.2 | I16 S17 L247 W267 I278 | I16-L19 WeakPolarHBondContact O-CB 3.48Å; I16-L19 PolarHBondContact O-N 3.4Å; S17-L19 VanDerWaalsContact C-N 3.32Å; L19-L247 HydrophobicContact CD2-CD1 3.49Å; L19-L247 VanDerWaalsContact CD2-CD1 3.49Å; L19-L247 HydrophobicContact CD2-CD2 3.69Å; L19-L247 HydrophobicContact CD2-CG 4.18Å; L19-W267 HydrophobicContact CD2-CE3 4.09Å; L19-W267 HydrophobicContact CD2-CH2 4.27Å; L19-W267 HydrophobicContact CD2-CZ3 3.89Å; L19-I278 HydrophobicContact CD1-CD1 3.61Å; L19-I278 HydrophobicContact CD2-CD1 4.33Å |
| 20 | V | 48.9 | Very low | 40.8 | Very low | 61 Ų | 61 | 88.4 Ų | 88.4 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -89 | 116.1 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | S17 A22 F240 | S17-V20 PolarHBondContact O-N 2.86Å; V20-A22 PolarHBondContact O-N 3.04Å; V20-F240 HydrophobicContact CG2-CZ 3.81Å |
| 21 | P | 41.6 | Very low | 40.3 | Very low | 97 Ų | 97 | 87.8 Ų | 87.8 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | trans | -57.7 | 127 | 178.2 | -20.7 | 31 | 0 | 0 | 0 | 110.6 | N23 | P21-N23 PolarHBondContact O-N 3.46Š| ||
| 22 | A | 38.4 | Very low | 39.3 | Very low | 71 Ų | 71 | 91.8 Ų | 91.8 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V20 | V20-A22 PolarHBondContact O-N 3.04Š|
| 23 | N | 31 | Very low | 38.2 | Very low | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 34 | -165.3 | -72.3 | 1.8 | 0 | 0 | 0 | 115.7 | P21 | P21-N23 PolarHBondContact O-N 3.46Š|
| 24 | S | 35 | Very low | 37.2 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -105 | 21.8 | 170.7 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 25 | I | 32.3 | Very low | 35.9 | Very low | 63 Ų | 63 | 108.7 Ų | 108.7 | 32% | 0.323 | 59% | 0.593 | S | S | . | * | trans | -143.9 | 72.9 | -178.1 | -47.8 | 176.2 | 0 | 0 | 0 | 109.2 | V46 | I25-V46 VanDerWaalsContact CD1-C 3.49Å; I25-V46 WeakPolarHBondContact CD1-O 3.38Å | ||
| 26 | D | 29.3 | Very low | 34.5 | Very low | 144 Ų | 144 | 114.5 Ų | 114.5 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | trans | -161.5 | 146.7 | 141.5 | -122.1 | -19.1 | 0 | 0 | 0 | 113.3 | ||||
| 27 | S | 29.4 | Very low | 33.1 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | trans | 18.8 | 118.4 | 157.2 | 42.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 28 | G | 26.1 | Very low | 32 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | 82.5 | 113.8 | 71.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 29 | Q | 27.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 121.1 Ų | 121.1 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | 93.9 | 117.1 | 174.3 | -64.3 | -179.1 | -36.6 | 0 | 0 | 118.1 | ||||
| 30 | N | 25.3 | Very low | 30 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 74.9 | 142 | 147.8 | -62.7 | -13.4 | 0 | 0 | 0 | 119.8 | ||||
| 31 | D | 29.3 | Very low | 29 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | 85.4 | 98.8 | 156.8 | -57.1 | -29.7 | 0 | 0 | 0 | 119.3 | ||||
| 32 | R | 23.5 | Very low | 28.5 | Very low | 223 Ų | 223 | 133.3 Ų | 133.3 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 16.8 | 129.4 | 130.9 | -66.1 | 179.3 | 173.8 | 168.3 | -1.3 | 116.4 | ||
| 33 | Y | 24.4 | Very low | 28.1 | Very low | 215 Ų | 215 | 134.3 Ų | 134.3 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 78.6 | 93.6 | 173.9 | -59.5 | -87.6 | 0 | 0 | 0 | 115.5 | ||||
| 34 | L | 26.1 | Very low | 27.9 | Very low | 186 Ų | 186 | 135 Ų | 135 | 97% | 0.974 | 76% | 0.757 | S | S | * | * | trans | -174.5 | 137.2 | 148.5 | -101 | 145.5 | 0 | 0 | 0 | 112.8 | ||||
| 35 | G | 24.1 | Very low | 27.6 | Very low | 51 Ų | 51 | 138.4 Ų | 138.4 | 53% | 0.526 | 76% | 0.759 | S | S | . | * | trans | -77.6 | 145 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 36 | N | 24.6 | Very low | 27.5 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 62.6 | 87.7 | 145.6 | -60.7 | -0.4 | 0 | 0 | 0 | 118 | R243 | N36-R243 PolarHBondContact O-NH2 3.19Š| ||
| 37 | V | 25 | Very low | 27.4 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 139.3 | 161.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 38 | V | 28 | Very low | 27.4 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -124 | 108.5 | 153.6 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 39 | S | 25.1 | Very low | 27.5 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -78.7 | 138.7 | 175.9 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | I | 34.3 | Very low | 27.5 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -116.2 | 134.1 | 163.7 | -56.6 | 175.4 | 0 | 0 | 0 | 106.9 | ||||
| 41 | P | 28.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -72.6 | 150.7 | 178.3 | 32.1 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 42 | Q | 31.9 | Very low | 27.8 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 96.1 | 65.1 | -179.7 | -50.9 | -176.2 | -1.3 | 0 | 0 | 116.6 | K44 | Q42-K44 VanDerWaalsContact C-N 3.31Å; Q42-K44 PolarHBondContact O-N 3.38Å |
| 43 | G | 29.7 | Very low | 28.1 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | 52.6 | 16.5 | 123.9 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 44 | K | 27.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | trans | -113.6 | 111.4 | -178.8 | -66.2 | -178.3 | -179.1 | -178.7 | 0 | 111.3 | Q42 | Q42-K44 VanDerWaalsContact C-N 3.31Å; Q42-K44 PolarHBondContact O-N 3.38Å | ||
| 45 | K | 29 | Very low | 28.2 | Very low | 176 Ų | 176 | 125.4 Ų | 125.4 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -87.8 | 133.7 | 168.1 | -78.8 | -175.4 | 174.6 | -176.2 | 0 | 109.5 | ||||
| 46 | V | 29.2 | Very low | 28.2 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 46% | 0.455 | 72% | 0.716 | S | S | . | * | trans | -130.3 | 99.8 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | I25 | I25-V46 VanDerWaalsContact CD1-C 3.49Å; I25-V46 WeakPolarHBondContact CD1-O 3.38Å | ||
| 47 | T | 26.6 | Very low | 28.4 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -83.8 | 134.4 | -179.3 | -40.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 48 | V | 29.8 | Very low | 28.5 | Very low | 83 Ų | 83 | 127 Ų | 127 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | trans | -109.6 | 113.1 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 49 | I | 28.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | trans | -91 | 126.6 | -179.4 | -57.7 | 172.4 | 0 | 0 | 0 | 109.3 | N51 | I49-N51 PolarHBondContact O-N 3.35Å; I49-N51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | P | 27.9 | Very low | 28.7 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -3.3 | -169.9 | -15.9 | 29.4 | 0 | 0 | 0 | 116.4 | ||
| 51 | N | 32.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 8.2 | -163.8 | -71.3 | -11.2 | 0 | 0 | 0 | 115.5 | I49 | I49-N51 PolarHBondContact O-N 3.35Å; I49-N51 VanDerWaalsContact O-N 3.09Å |
| 52 | L | 29 | Very low | 28.8 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 62% | 0.623 | 70% | 0.701 | S | S | * | * | trans | -124.4 | 127.2 | 177.8 | -68.4 | 166.5 | 0 | 0 | 0 | 110.2 | T54 | L52-T54 PolarHBondContact O-N 3.16Š| ||
| 53 | K | 29 | Very low | 28.7 | Very low | 219 Ų | 219 | 129.8 Ų | 129.8 | 95% | 0.952 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -65.6 | 26 | 178.1 | -70.4 | 177 | 176.7 | 171.8 | 0 | 113.9 | ||
| 54 | T | 25.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -159 | 127.7 | -174.1 | 18.2 | 0 | 0 | 0 | 0 | 109.1 | L52 Q56 | L52-T54 PolarHBondContact O-N 3.16Å; T54-Q56 PolarHBondContact O-N 2.87Å |
| 55 | I | 26.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | trans | -76 | 114.3 | 171.4 | -60.3 | 173.5 | 0 | 0 | 0 | 107.8 | ||||
| 56 | Q | 25.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | trans | -108.7 | 125.7 | 167.5 | -70.7 | -166.8 | -18 | 0 | 0 | 109.2 | T54 | T54-Q56 PolarHBondContact O-N 2.87Š| ||
| 57 | V | 28.1 | Very low | 28.5 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 58% | 0.576 | 70% | 0.698 | S | S | * | * | trans | -94.1 | 107.3 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 58 | I | 27.7 | Very low | 28.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | trans | -96.6 | 121.8 | 174.8 | -57.5 | 173.9 | 0 | 0 | 0 | 108.2 | V60 | I58-V60 HydrophobicContact CG2-CG2 4.34Š| ||
| 59 | Q | 27 | Very low | 28.5 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | -85.2 | 112.8 | 174 | -175.1 | 170.9 | -67.4 | 0 | 0 | 108.7 | ||||
| 60 | V | 30.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | trans | -98.5 | 115.4 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | I58 | I58-V60 HydrophobicContact CG2-CG2 4.34Š| ||
| 61 | S | 28.6 | Very low | 28.4 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -81.3 | 122.8 | 170.9 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | N63 | S61-N63 PolarHBondContact O-N 3Š| ||
| 62 | Q | 34.6 | Very low | 28.2 | Very low | 184 Ų | 184 | 126.8 Ų | 126.8 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -89.2 | 98.3 | 168.3 | -73.2 | -176.9 | -13.8 | 0 | 0 | 109.3 | ||||
| 63 | N | 29.5 | Very low | 28.3 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -106 | 145.4 | 151.6 | -81.6 | -9.1 | 0 | 0 | 0 | 107.1 | S61 | S61-N63 PolarHBondContact O-N 3Š| ||
| 64 | A | 29.5 | Very low | 28.4 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | 81.6 | 135.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 65 | I | 29.2 | Very low | 28.7 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | cis | -165 | 140.4 | 3.4 | -101.7 | 159.4 | 0 | 0 | 0 | 105.6 | ||||
| 66 | T | 26.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | 29.9 | 136.4 | 129.6 | -22.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 67 | S | 27.1 | Very low | 29.1 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | cis | 173.2 | 172.5 | 16.3 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 68 | L | 28 | Very low | 29.3 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | 81.9 | 135.3 | 161 | -56.3 | 146.7 | 0 | 0 | 0 | 115.8 | ||||
| 69 | A | 27.4 | Very low | 29.5 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -164.1 | 150 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 70 | S | 26.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 7.6 | 139.8 | 140.9 | -32.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 71 | T | 28.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | 178.1 | 126.3 | 57.4 | 25 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 72 | S | 28.7 | Very low | 30.1 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 57% | 0.573 | 79% | 0.789 | S | S | * | * | 84.1 | 146.4 | 86.5 | 78.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 73 | Y | 29.5 | Very low | 29.9 | Very low | 224 Ų | 224 | 139.2 Ų | 139.2 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | 83.6 | 138.2 | 170.9 | -54.4 | -72.8 | 0 | 0 | 0 | 117.5 | ||||
| 74 | A | 32.7 | Very low | 30.1 | Very low | 77 Ų | 77 | 143 Ų | 143 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -169.1 | 150.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 75 | N | 31.1 | Very low | 30.2 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | 52.1 | 128.5 | 146.4 | -64.5 | -9.1 | 0 | 0 | 0 | 122.2 | ||||
| 76 | G | 30.7 | Very low | 30.7 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 170.7 | 80.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 77 | T | 30.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -50.5 | 134.8 | 173.6 | 38.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 78 | E | 32.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | -174.9 | 114 | 127.7 | -103 | 175.3 | 177.9 | 0 | 0 | 114.9 | |||||
| 79 | R | 31.6 | Very low | 31.8 | Very low | 235 Ų | 235 | 148.5 Ų | 148.5 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 35 | 130.6 | 146.7 | -58.3 | -175.1 | -178.8 | -164.6 | 0.4 | 123 | ||||
| 80 | P | 29 | Very low | 32.3 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -100.8 | 147.9 | 174.7 | 38 | -29.8 | 0 | 0 | 0 | 113.9 | ||||
| 81 | I | 35.9 | Very low | 32.4 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -108.1 | 130.4 | 170 | -60.7 | 174.4 | 0 | 0 | 0 | 109.2 | ||||
| 82 | R | 32.3 | Very low | 32.8 | Very low | 232 Ų | 232 | 151.2 Ų | 151.2 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 148.5 | -176.3 | -69.6 | 178.9 | 175 | -167 | -1.6 | 113.8 | ||
| 83 | P | 31.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 148.3 | 155 | 30.2 | -19.1 | 0 | 0 | 0 | 112.6 | ||
| 84 | Y | 34.7 | Very low | 33.6 | Very low | 234 Ų | 234 | 149 Ų | 149 | 92% | 0.918 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 145.9 | -178.8 | -86.6 | -101.7 | 0 | 0 | 0 | 113.6 | ||
| 85 | A | 31.7 | Very low | 33.7 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 148.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 86 | V | 38.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -114.6 | 126.2 | 166.1 | 179 | 0 | 0 | 0 | 0 | 108 | ||||
| 87 | Q | 37 | Very low | 34.4 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -82.3 | 145.5 | 175.8 | -69 | -179.1 | -14.3 | 0 | 0 | 111.6 | ||||
| 88 | P | 32 | Very low | 34.6 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | -104.2 | 141.7 | 163.6 | 33.9 | -24.9 | 0 | 0 | 0 | 112.4 | ||||
| 89 | L | 36 | Very low | 35.2 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | trans | -89.9 | 120 | 177.7 | -88.3 | 159.3 | 0 | 0 | 0 | 112.6 | ||||
| 90 | S | 37 | Very low | 35.5 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | 36.8 | 126.8 | 140.5 | 60.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 91 | C | 29 | Very low | 35.9 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -69.7 | 158.2 | 165.9 | 51.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 92 | V | 37.8 | Very low | 36 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -136.9 | 131.3 | 150.2 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 93 | A | 32.1 | Very low | 36.3 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -101 | 156.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 94 | L | 43.6 | Very low | 36.6 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -146.5 | 148.4 | 157.1 | -100.6 | 128 | 0 | 0 | 0 | 110.6 | ||||
| 95 | P | 35.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -107.4 | 150.4 | -155.5 | 36.8 | -26.2 | 0 | 0 | 0 | 115.7 | ||||
| 96 | S | 34.6 | Very low | 36.6 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 43.8 | 115.8 | 137.9 | -164.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 97 | N | 41.8 | Very low | 36.4 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | -162.9 | 122.5 | 108 | -128.6 | -8 | 0 | 0 | 0 | 114.5 | |||||
| 98 | R | 34.2 | Very low | 36.2 | Very low | 226 Ų | 226 | 134.9 Ų | 134.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 3.8 | 127.8 | 144 | -154.9 | 174.4 | -164.3 | 161.2 | 2.1 | 119.1 | ||||
| 99 | V | 45.1 | Very low | 36.2 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | 177.3 | 129.2 | 118.1 | 169.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 100 | V | 36.6 | Very low | 35.9 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -109 | 157.3 | 170 | -179.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 101 | P | 39.2 | Very low | 35.7 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -137.4 | 173.2 | 21.1 | 16.5 | 11.8 | 0 | 0 | 0 | 115.5 | ||||
| 102 | S | 38 | Very low | 35.8 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 169.9 | 134.8 | 121.9 | 44.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 103 | V | 37.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -66.3 | 128.8 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 104 | S | 36.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -144.8 | 108.8 | 162.6 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | T106 | S104-T106 PolarHBondContact O-N 2.85Š| ||
| 105 | Q | 33.4 | Very low | 35.5 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -55.2 | 119.6 | 177.3 | -64.9 | 163.7 | -9.7 | 0 | 0 | 109.2 | ||||
| 106 | T | 34.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 141.8 | 163.7 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | S104 V108 | S104-T106 PolarHBondContact O-N 2.85Å; T106-V108 PolarHBondContact O-N 3.18Å | ||
| 107 | P | 32.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -66.8 | 137.2 | -164.2 | -12.7 | 28 | 0 | 0 | 0 | 110.3 | E109 | P107-E109 PolarHBondContact O-N 3.39Š| ||
| 108 | V | 33.3 | Very low | 38.5 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -59.3 | 95.2 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | T106 S110 | T106-V108 PolarHBondContact O-N 3.18Å; V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 2.98Å | ||
| 109 | E | 32.7 | Very low | 40.5 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 88 | 173.8 | -159.9 | 170.9 | -166.5 | 0 | 0 | 108.1 | P107 | P107-E109 PolarHBondContact O-N 3.39Š| ||
| 110 | S | 29 | Very low | 42.2 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | trans | -48.3 | 137.6 | 172 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | V108 S112 | V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 2.98Å; S110-S112 PolarHBondContact O-N 3.01Å | ||
| 111 | P | 31.9 | Very low | 44.5 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | trans | -70.9 | 83.7 | 177.7 | 29.5 | -32 | 0 | 0 | 0 | 108.5 | Q113 | P111-Q113 PolarHBondContact O-N 3.23Š| ||
| 112 | S | 31.1 | Very low | 46.8 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 57% | 0.573 | 68% | 0.676 | S | S | * | * | trans | -63.1 | 105.7 | 174.6 | 43.8 | 0 | 0 | 0 | 0 | 109.4 | S110 R114 | S110-S112 PolarHBondContact O-N 3.01Å; S112-R114 PolarHBondContact O-N 2.88Å | ||
| 113 | Q | 34 | Very low | 49.2 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | trans | 35.3 | 74 | 140.9 | -64.6 | 176 | -14.4 | 0 | 0 | 116.3 | P111 | P111-Q113 PolarHBondContact O-N 3.23Š| ||
| 114 | R | 34.1 | Very low | 51.7 | Low | 235 Ų | 235 | 117.3 Ų | 117.3 | 89% | 0.887 | 63% | 0.634 | S | S | * | * | trans | -118.7 | 18.6 | 166.5 | -71.7 | -168.3 | -175 | -179.5 | 4.4 | 114.4 | S112 G116 | S112-R114 PolarHBondContact O-N 2.88Å; R114-G116 PolarHBondContact O-N 3.3Å | ||
| 115 | S | 39.4 | Very low | 54.2 | Low | 107 Ų | 107 | 112.4 Ų | 112.4 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -95 | 88.7 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 116 | G | 50.2 | Low | 56.9 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 75% | 0.753 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 155.5 | -12.1 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | R114 I118 | R114-G116 PolarHBondContact O-N 3.3Å; G116-I118 PolarHBondContact O-N 3.01Å |
| 117 | Q | 56.2 | Low | 59.7 | Low | 176 Ų | 176 | 98.3 Ų | 98.3 | 82% | 0.822 | 53% | 0.526 | S | S | * | . | trans | -87.6 | 98.7 | 179.8 | -164.3 | 172.8 | 16.4 | 0 | 0 | 110.4 | D119 | Q117-D119 PolarHBondContact O-N 3.4Š| ||
| 118 | I | 68 | Low | 62.6 | Low | 46 Ų | 46 | 93 Ų | 93 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | trans | -64.2 | 120.3 | 168.9 | -65.8 | 162.3 | 0 | 0 | 0 | 108.4 | I16 G116 L120 C236 L238 | I16-I118 HydrophobicContact CB-CD1 4.35Å; I16-I118 HydrophobicContact CD1-CD1 4.24Å; I16-I118 HydrophobicContact CD1-CG2 4.3Å; I16-I118 HydrophobicContact CG2-CD1 3.71Å; G116-I118 PolarHBondContact O-N 3.01Å; I118-L120 PolarHBondContact O-N 2.62Å; I118-C236 HydrophobicContact CG2-CB 4.37Å; I118-C236 WeakPolarHBondContact CG2-SG 3.22Å; I118-L238 HydrophobicContact CD1-CD2 4.04Å; I118-L238 HydrophobicContact CG1-CD2 4.18Å; I118-L238 HydrophobicContact CG2-CD2 4.27Å | ||
| 119 | D | 75.8 | Confident | 65.5 | Low | 83 Ų | 83 | 86.2 Ų | 86.2 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | trans | -78.1 | 104.9 | 179.7 | -174.9 | 14.5 | 0 | 0 | 0 | 110.4 | Q117 R121 | Q117-D119 PolarHBondContact O-N 3.4Å; D119-R121 IonicContact OD1-NE 2.73Å; D119-R121 IonicContact OD2-CZ 3.99Å; D119-R121 IonicContact OD2-NE 3.67Å; D119-R121 PolarHBondContact OD2-NE 2.98Å; D119-R121 IonicContact OD2-NH2 2.87Å; D119-R121 PolarHBondContact OD2-NH2 3.32Å | ||
| 120 | L | 81.9 | Confident | 68.5 | Low | 39 Ų | 39 | 79.7 Ų | 79.7 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.6 | 175.2 | -174.6 | 146.1 | 0 | 0 | 0 | 109.8 | I12 I118 A234 I286 | I12-L120 HydrophobicContact CB-CD1 4.45Å; I12-L120 HydrophobicContact CD1-CD1 3.73Å; I12-L120 HydrophobicContact CG2-CD1 3.95Å; I118-L120 PolarHBondContact O-N 2.62Å; L120-A234 HydrophobicContact CD2-CB 4.04Å; L120-A234 HydrophobicContact CG-CB 4.28Å; L120-I286 HydrophobicContact CD1-CD1 4.2Å |
| 121 | R | 84.6 | Confident | 71.6 | Confident | 140 Ų | 140 | 75.9 Ų | 75.9 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.4 | 179.5 | -61.3 | -171.6 | -175 | -174.8 | 3.7 | 111.5 | D119 R123 A234 T235 | D119-R121 IonicContact OD1-NE 2.73Å; D119-R121 IonicContact OD2-CZ 3.99Å; D119-R121 IonicContact OD2-NE 3.67Å; D119-R121 PolarHBondContact OD2-NE 2.98Å; D119-R121 IonicContact OD2-NH2 2.87Å; D119-R121 PolarHBondContact OD2-NH2 3.32Å; R121-R123 PolarHBondContact O-N 3.06Å; R121-A234 CarbonylContact O-C 3.57Å; R121-A234 VanDerWaalsContact O-CA 3.32Å; R121-A234 WeakPolarHBondContact O-CA 3.47Å; R121-T235 PolarHBondContact N-O 2.9Å; R121-T235 PolarHBondContact O-N 2.9Å |
| 122 | I | 87.4 | Confident | 74.4 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.9 | 169.5 | -62.3 | -178.7 | 0 | 0 | 0 | 108.9 | P4 Y7 V125 L198 I232 | P4-I122 HydrophobicContact CB-CD1 4.07Å; P4-I122 HydrophobicContact CG-CD1 3.49Å; P4-I122 VanDerWaalsContact CG-CD1 3.49Å; Y7-I122 HydrophobicContact CD2-CD1 4.36Å; Y7-I122 HydrophobicContact CE2-CD1 4.43Å; Y7-I122 HydrophobicContact CE2-CG1 4.47Å; I122-V125 HydrophobicContact CG2-CG2 3.76Å; I122-L198 WeakPolarHBondContact CG2-O 3.32Å; I122-I232 HydrophobicContact CD1-CG2 4.45Å; I122-I232 HydrophobicContact CG2-CG2 3.99Å |
| 123 | R | 88.5 | Confident | 77.3 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -33.1 | 178.7 | -65.4 | -58.7 | -168 | 160.6 | 4.6 | 112.7 | R121 M233 T235 | R121-R123 PolarHBondContact O-N 3.06Å; R123-M233 PolarHBondContact N-O 2.87Å; R123-T235 HydrophobicContact CG-CG2 3.54Å; R123-T235 WeakPolarHBondContact CG-OG1 3.36Å; R123-T235 PolarHBondContact NE-OG1 3.25Å |
| 124 | N | 89.8 | Confident | 80 | Confident | 37 Ų | 37 | 69 Ų | 69 | 20% | 0.198 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 136.2 | -177.9 | -171.1 | 17 | 0 | 0 | 0 | 111.4 | G196 N197 I232 M233 | N124-G196 WeakPolarHBondContact OD1-CA 3.22Å; N124-G196 PolarHBondContact OD1-N 3.14Å; N124-N197 CarbonylContact C-O 3.54Å; N124-N197 VanDerWaalsContact CA-O 3.28Å; N124-N197 WeakPolarHBondContact CA-O 3.21Å; N124-N197 PolarHBondContact OD1-N 2.95Å; N124-I232 WeakPolarHBondContact O-CA 3.46Å; N124-M233 HydrophobicContact CB-CB 4.11Å; N124-M233 PolarHBondContact N-O 3.38Å; N124-M233 PolarHBondContact O-N 3.48Å |
| 125 | V | 88.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.2 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | I122 T127 N197 A203 V229 I232 | I122-V125 HydrophobicContact CG2-CG2 3.76Å; V125-T127 HydrophobicContact CG1-CG2 4.23Å; V125-N197 HydrophobicContact CB-CB 4.24Å; V125-N197 PolarHBondContact N-O 3.27Å; V125-N197 PolarHBondContact O-ND2 3.12Å; V125-N197 VanDerWaalsContact O-ND2 3.12Å; V125-A203 HydrophobicContact CB-CB 4.27Å; V125-A203 HydrophobicContact CG1-CB 3.93Å; V125-V229 HydrophobicContact CG1-CG1 3.9Å; V125-I232 HydrophobicContact CG1-CG1 4.32Å; V125-I232 HydrophobicContact CG2-CG2 4.08Å |
| 126 | V | 90.9 | Very high | 84.7 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.4 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | I193 V194 S195 T230 N231 | V126-I193 HydrophobicContact CG1-CG2 3.51Å; V126-V194 WeakPolarHBondContact CA-O 3.33Å; V126-S195 WeakPolarHBondContact CG1-OG 3.34Å; V126-T230 VanDerWaalsContact CG1-OG1 3.27Å; V126-T230 WeakPolarHBondContact CG1-OG1 3.32Å; V126-T230 PolarHBondContact O-N 2.75Å; V126-T230 PolarHBondContact O-OG1 2.78Å; V126-N231 HydrophobicContact CB-CB 4.22Å; V126-N231 HydrophobicContact CG2-CB 4.46Å; V126-N231 PolarHBondContact N-O 2.82Å; V126-N231 PolarHBondContact O-N 2.86Å |
| 127 | T | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.6 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | V125 I193 V194 A203 S207 Y227 R228 V229 | V125-T127 HydrophobicContact CG1-CG2 4.23Å; T127-I193 CarbonylContact O-C 3.59Å; T127-I193 VanDerWaalsContact O-CA 3.29Å; T127-I193 WeakPolarHBondContact O-CA 3.33Å; T127-V194 PolarHBondContact N-O 3.05Å; T127-V194 PolarHBondContact O-N 3.42Å; T127-A203 HydrophobicContact CG2-CB 3.53Å; T127-S207 PolarHBondContact OG1-OG 3.05Å; T127-Y227 HydrophobicContact CG2-CE2 3.7Å; T127-Y227 WeakPolarHBondContact CG2-OH 3.36Å; T127-R228 CarbonylContact C-O 3.54Å; T127-R228 WeakPolarHBondContact CA-O 3.37Å; T127-V229 HydrophobicContact CG2-CG2 4.21Å |
| 128 | M | 93.9 | Very high | 87.4 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.2 | 174 | -176 | -151 | 90.2 | 0 | 0 | 108.8 | K191 V192 I193 Y227 R228 T230 | M128-K191 HydrophobicContact CG-CG 4.04Å; M128-K191 HydrophobicContact SD-CD 4.33Å; M128-K191 WeakPolarHBondContact SD-CE 3.49Å; M128-K191 HydrophobicContact SD-CG 4.25Å; M128-V192 CarbonylContact C-O 3.38Å; M128-V192 WeakPolarHBondContact CA-O 3.35Å; M128-I193 HydrophobicContact CB-CG1 4.12Å; M128-I193 HydrophobicContact CG-CG1 3.91Å; M128-Y227 CarbonylContact O-C 3.56Å; M128-Y227 WeakPolarHBondContact O-CA 3.19Å; M128-R228 HydrophobicContact CB-CG 4.36Å; M128-R228 HydrophobicContact CE-CG 3.98Å; M128-R228 VanDerWaalsContact CE-NH2 3.27Å; M128-R228 PolarHBondContact N-O 3.42Å; M128-R228 PolarHBondContact O-N 2.93Å; M128-R228 PolarHBondContact SD-NE 2.85Å; M128-R228 PolarHBondContact SD-NH2 2.87Å; M128-T230 HydrophobicContact CB-CG2 3.36Å; M128-T230 HydrophobicContact CG-CG2 4.36Å; M128-T230 HydrophobicContact SD-CG2 4.38Å |
| 129 | F | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.5 | 169.3 | 67.9 | -89.8 | 0 | 0 | 0 | 109.4 | T131 V192 V194 V210 A211 F224 A225 Y227 | F129-T131 HydrophobicContact CE2-CG2 4.03Å; F129-V192 HydrophobicContact CD1-CB 4.06Å; F129-V192 HydrophobicContact CD1-CG1 4.25Å; F129-V192 HydrophobicContact CD2-CB 4.21Å; F129-V192 HydrophobicContact CD2-CG2 4.49Å; F129-V192 HydrophobicContact CE1-CB 3.64Å; F129-V192 HydrophobicContact CE1-CG1 3.45Å; F129-V192 VanDerWaalsContact CE1-CG1 3.45Å; F129-V192 HydrophobicContact CE1-CG2 4.49Å; F129-V192 HydrophobicContact CE2-CB 3.8Å; F129-V192 HydrophobicContact CE2-CG1 4.26Å; F129-V192 HydrophobicContact CE2-CG2 3.85Å; F129-V192 HydrophobicContact CG-CB 4.34Å; F129-V192 HydrophobicContact CZ-CB 3.5Å; F129-V192 HydrophobicContact CZ-CG1 3.46Å; F129-V192 VanDerWaalsContact CZ-CG1 3.46Å; F129-V192 HydrophobicContact CZ-CG2 3.86Å; F129-V192 PolarHBondContact N-O 2.84Å; F129-V192 PolarHBondContact O-N 3Å; F129-V194 HydrophobicContact CD1-CG2 4.46Å; F129-V194 HydrophobicContact CE1-CG2 3.88Å; F129-V210 HydrophobicContact CE1-CB 4.49Å; F129-V210 HydrophobicContact CE1-CG1 4.36Å; F129-V210 HydrophobicContact CZ-CB 4.3Å; F129-V210 HydrophobicContact CZ-CG1 3.96Å; F129-A211 HydrophobicContact CE2-CB 3.91Å; F129-A211 HydrophobicContact CZ-CB 4.13Å; F129-F224 HydrophobicContact CB-CD2 4.09Å; F129-F224 HydrophobicContact CB-CE2 3.74Å; F129-F224 HydrophobicContact CB-CZ 4.43Å; F129-F224 HydrophobicContact CD1-CD2 4.36Å; F129-F224 AromaticContact CD1-CE2 3.83Å; F129-F224 HydrophobicContact CD1-CE2 3.83Å; F129-F224 AromaticContact CD2-CD2 3.62Å; F129-F224 HydrophobicContact CD2-CD2 3.62Å; F129-F224 AromaticContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CE1-CE2 4.37Å; F129-F224 HydrophobicContact CE2-CD2 4.06Å; F129-F224 HydrophobicContact CE2-CE2 4.46Å; F129-F224 AromaticContact CG-CD2 3.78Å; F129-F224 HydrophobicContact CG-CD2 3.78Å; F129-F224 AromaticContact CG-CE2 3.57Å; F129-F224 HydrophobicContact CG-CE2 3.57Å; F129-A225 WeakPolarHBondContact CB-O 3.37Å; F129-Y227 HydrophobicContact CB-CD2 4.42Å |
| 130 | N | 95.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.3 | 178.4 | -167.7 | -1.3 | 0 | 0 | 0 | 110 | C132 G190 A225 D226 | N130-C132 PolarHBondContact OD1-N 2.87Å; N130-C132 VanDerWaalsContact OD1-N 3.12Å; N130-G190 PolarHBondContact OD1-O 3.21Å; N130-A225 PolarHBondContact N-O 3.16Å; N130-A225 PolarHBondContact O-N 2.6Å; N130-D226 HydrophobicContact CB-CB 4.13Å |
| 131 | T | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -88.6 | -8.8 | 175 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | F129 C133 L135 G190 V192 L214 V222 H223 | F129-T131 HydrophobicContact CE2-CG2 4.03Å; T131-C133 PolarHBondContact O-N 2.83Å; T131-C133 VanDerWaalsContact O-N 3.13Å; T131-C133 PolarHBondContact O-SG 3.47Å; T131-C133 VanDerWaalsContact O-SG 3.35Å; T131-C133 PolarHBondContact OG1-O 2.87Å; T131-L135 HydrophobicContact CG2-CD1 4.23Å; T131-G190 PolarHBondContact N-O 3.29Å; T131-G190 WeakPolarHBondContact OG1-CA 3.31Å; T131-G190 PolarHBondContact OG1-O 2.88Å; T131-G190 VanDerWaalsContact OG1-O 3.05Å; T131-V192 HydrophobicContact CG2-CG2 3.89Å; T131-L214 HydrophobicContact CG2-CD1 4.05Å; T131-V222 HydrophobicContact CG2-CG1 3.83Å; T131-H223 VanDerWaalsContact CA-O 3.25Å; T131-H223 WeakPolarHBondContact CA-O 3.38Å; T131-H223 PolarHBondContact O-N 3.21Å | ||
| 132 | C | 91.6 | Very high | 88.1 | Confident | 76 Ų | 76 | 43 Ų | 43 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 58.3 | 17.3 | -177.5 | -58.1 | 0 | 0 | 0 | 0 | 114.9 | N130 H223 A225 | N130-C132 PolarHBondContact OD1-N 2.87Å; N130-C132 VanDerWaalsContact OD1-N 3.12Å; C132-H223 HydrophobicContact CB-CB 4.43Å; C132-A225 WeakPolarHBondContact SG-CB 2.99Å |
| 133 | C | 91.5 | Very high | 87.8 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -146.4 | 149 | 178.2 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | T131 G190 Q221 | T131-C133 PolarHBondContact O-N 2.83Å; T131-C133 VanDerWaalsContact O-N 3.13Å; T131-C133 PolarHBondContact O-SG 3.47Å; T131-C133 VanDerWaalsContact O-SG 3.35Å; T131-C133 PolarHBondContact OG1-O 2.87Å; C133-G190 WeakPolarHBondContact O-CA 3.25Å; C133-Q221 HydrophobicContact CB-CG 4.3Å; C133-Q221 PolarHBondContact SG-O 3.39Å; C133-Q221 VanDerWaalsContact SG-O 3.38Å |
| 134 | H | 90.3 | Very high | 87.2 | Confident | 161 Ų | 161 | 43 Ų | 43 | 75% | 0.745 | 22% | 0.222 | S | C | * | . | trans | -68.7 | 132.1 | 171.3 | -80.9 | -81.4 | 0 | 0 | 0 | 110.4 | S188 | H134-S188 WeakPolarHBondContact CA-O 3.2Å; H134-S188 PolarHBondContact ND1-O 3.38Å | ||
| 135 | L | 86.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | trans | -107.4 | 124.7 | -176.3 | -58.7 | -174.7 | 0 | 0 | 0 | 110.2 | T131 L137 I186 S188 I218 V222 | T131-L135 HydrophobicContact CG2-CD1 4.23Å; L135-L137 HydrophobicContact CB-CD2 4.49Å; L135-L137 PolarHBondContact O-N 3.42Å; L135-I186 HydrophobicContact CD1-CG2 3.56Å; L135-S188 PolarHBondContact N-O 2.95Å; L135-I218 HydrophobicContact CD1-CD1 4.32Å; L135-I218 HydrophobicContact CD2-CD1 3.54Å; L135-I218 HydrophobicContact CD2-CG1 4.47Å; L135-I218 HydrophobicContact CD2-CG2 4.35Å; L135-I218 HydrophobicContact CG-CD1 4.4Å; L135-V222 HydrophobicContact CD2-CG2 4.36Å | ||
| 136 | N | 85.7 | Confident | 85.3 | Confident | 97 Ų | 97 | 49.5 Ų | 49.5 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | trans | -75.2 | 98.1 | 166.1 | -169.1 | -20.7 | 0 | 0 | 0 | 109.1 | H138 T139 V140 | N136-H138 PolarHBondContact O-N 3.4Å; N136-H138 VanDerWaalsContact OD1-CB 3.22Å; N136-H138 WeakPolarHBondContact OD1-CB 3.41Å; N136-H138 PolarHBondContact OD1-N 3.49Å; N136-H138 VanDerWaalsContact OD1-N 3.1Å; N136-T139 WeakPolarHBondContact O-CB 3.35Å; N136-T139 PolarHBondContact O-N 3Å; N136-T139 VanDerWaalsContact O-N 3.07Å; N136-V140 PolarHBondContact O-N 3.27Å; N136-V140 VanDerWaalsContact O-N 3.08Å | ||
| 137 | L | 83.6 | Confident | 84.1 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -30.9 | -178.6 | -65.1 | -174.2 | 0 | 0 | 0 | 112.9 | L135 V140 A141 Q171 V173 I186 | L135-L137 HydrophobicContact CB-CD2 4.49Å; L135-L137 PolarHBondContact O-N 3.42Å; L137-V140 PolarHBondContact O-N 2.8Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.91Å; L137-Q171 WeakPolarHBondContact CD1-O 3.23Å; L137-V173 HydrophobicContact CB-CG2 3.63Å; L137-V173 HydrophobicContact CD1-CG2 4.23Å; L137-V173 HydrophobicContact CD2-CB 4.38Å; L137-V173 HydrophobicContact CD2-CG2 3.81Å; L137-V173 HydrophobicContact CG-CG2 4.08Å; L137-I186 HydrophobicContact CD2-CG2 3.97Å |
| 138 | H | 80.2 | Confident | 82.7 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 175.2 | -179.8 | 44.6 | 0 | 0 | 0 | 111.1 | N136 V140 A141 M142 L164 L167 | N136-H138 PolarHBondContact O-N 3.4Å; N136-H138 VanDerWaalsContact OD1-CB 3.22Å; N136-H138 WeakPolarHBondContact OD1-CB 3.41Å; N136-H138 PolarHBondContact OD1-N 3.49Å; N136-H138 VanDerWaalsContact OD1-N 3.1Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 2.79Å; H138-A141 PolarHBondContact O-N 3.19Å; H138-M142 VanDerWaalsContact CE1-CG 3.42Å; H138-M142 WeakPolarHBondContact CE1-CG 2.92Å; H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.2Å; H138-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H138-L164 WeakPolarHBondContact CE1-CD2 3.45Å; H138-L164 WeakPolarHBondContact ND1-CD2 3.02Å; H138-L167 HydrophobicContact CB-CD2 3.6Å |
| 139 | T | 82.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.6 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | N136 M142 R143 | N136-T139 WeakPolarHBondContact O-CB 3.35Å; N136-T139 PolarHBondContact O-N 3Å; N136-T139 VanDerWaalsContact O-N 3.07Å; T139-M142 PolarHBondContact O-N 2.87Å; T139-R143 HydrophobicContact CG2-CG 4.39Å; T139-R143 WeakPolarHBondContact O-CB 3.42Å; T139-R143 WeakPolarHBondContact O-CG 3.4Å; T139-R143 PolarHBondContact O-N 2.85Å |
| 140 | V | 83.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | N136 L137 H138 M142 R143 T144 I186 L214 I218 | N136-V140 PolarHBondContact O-N 3.27Å; N136-V140 VanDerWaalsContact O-N 3.08Å; L137-V140 PolarHBondContact O-N 2.8Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 2.79Å; V140-M142 VanDerWaalsContact C-N 3.32Å; V140-M142 PolarHBondContact O-N 3.47Å; V140-R143 PolarHBondContact O-N 3.2Å; V140-T144 HydrophobicContact CG1-CG2 4.24Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.84Å; V140-I186 HydrophobicContact CG1-CD1 4.09Å; V140-L214 HydrophobicContact CG1-CD2 4.07Å; V140-I218 HydrophobicContact CG2-CD1 3.61Å; V140-I218 HydrophobicContact CG2-CG1 3.82Å |
| 141 | A | 79.1 | Confident | 77 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L137 H138 V147 | L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.91Å; H138-A141 PolarHBondContact O-N 3.19Å; A141-V147 HydrophobicContact CB-CG1 4.06Å |
| 142 | M | 81 | Confident | 75.1 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 51% | 0.507 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -76.1 | -32.6 | 178.6 | -65.7 | -61 | -77.3 | 0 | 0 | 113 | H138 T139 V140 V162 L164 | H138-M142 VanDerWaalsContact CE1-CG 3.42Å; H138-M142 WeakPolarHBondContact CE1-CG 2.92Å; H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.2Å; T139-M142 PolarHBondContact O-N 2.87Å; V140-M142 VanDerWaalsContact C-N 3.32Å; V140-M142 PolarHBondContact O-N 3.47Å; M142-V162 HydrophobicContact CE-CG1 4.23Å; M142-V162 HydrophobicContact SD-CG1 4.31Å; M142-L164 HydrophobicContact CE-CD1 3.97Å; M142-L164 HydrophobicContact SD-CD1 4.01Å; M142-L164 HydrophobicContact SD-CD2 4.49Å; M142-L164 HydrophobicContact SD-CG 4.41Å |
| 143 | R | 81.3 | Confident | 73.1 | Confident | 159 Ų | 159 | 81.7 Ų | 81.7 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -90.9 | -16.3 | -176.7 | -69 | -176.6 | 178.1 | -174.3 | -1.8 | 114.3 | T139 V140 C217 | T139-R143 HydrophobicContact CG2-CG 4.39Å; T139-R143 WeakPolarHBondContact O-CB 3.42Å; T139-R143 WeakPolarHBondContact O-CG 3.4Å; T139-R143 PolarHBondContact O-N 2.85Å; V140-R143 PolarHBondContact O-N 3.2Å; R143-C217 HydrophobicContact CB-CB 4.17Å; R143-C217 WeakPolarHBondContact CD-O 3.36Å; R143-C217 PolarHBondContact NH1-O 2.85Å |
| 144 | T | 74.8 | Confident | 70.5 | Confident | 18 Ų | 18 | 83.7 Ų | 83.7 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -104.4 | 147.1 | -179.6 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | V140 V147 L175 M213 C217 | V140-T144 HydrophobicContact CG1-CG2 4.24Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.84Å; T144-V147 WeakPolarHBondContact O-CG2 3.31Å; T144-V147 WeakPolarHBondContact OG1-CG2 3.18Å; T144-L175 WeakPolarHBondContact OG1-CD2 3.45Å; T144-M213 HydrophobicContact CG2-CE 4.47Å; T144-M213 HydrophobicContact CG2-SD 4.43Å; T144-C217 HydrophobicContact CG2-CB 4.32Å; T144-C217 WeakPolarHBondContact CG2-SG 2.94Å |
| 145 | C | 67.5 | Low | 68.1 | Low | 105 Ų | 105 | 82.1 Ų | 82.1 | 71% | 0.709 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -92.6 | 154.5 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 146 | N | 70.4 | Confident | 65.6 | Low | 69 Ų | 69 | 89.1 Ų | 89.1 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 61.3 | 39.5 | -178.7 | -43.7 | -67.3 | 0 | 0 | 0 | 114 | Q176 | N146-Q176 WeakPolarHBondContact CB-O 3.41Å; N146-Q176 PolarHBondContact O-N 3Å; N146-Q176 VanDerWaalsContact O-N 3.11Å |
| 147 | V | 65.9 | Low | 63.5 | Low | 33 Ų | 33 | 91.1 Ų | 91.1 | 20% | 0.2 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.4 | 171.8 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | A141 T144 V173 L175 | A141-V147 HydrophobicContact CB-CG1 4.06Å; T144-V147 WeakPolarHBondContact O-CG2 3.31Å; T144-V147 WeakPolarHBondContact OG1-CG2 3.18Å; V147-V173 HydrophobicContact CG1-CG1 3.47Å; V147-V173 VanDerWaalsContact CG1-CG1 3.47Å; V147-L175 HydrophobicContact CB-CD2 3.85Å; V147-L175 HydrophobicContact CG1-CD2 3.98Å; V147-L175 HydrophobicContact CG2-CD2 3.18Å |
| 148 | I | 64.7 | Low | 61.2 | Low | 85 Ų | 85 | 96 Ų | 96 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 109.7 | 162.4 | -58 | 175.3 | 0 | 0 | 0 | 106.4 | E150 V174 | I148-E150 HydrophobicContact CG2-CG 4.23Å; I148-V174 PolarHBondContact N-O 3.11Å; I148-V174 WeakPolarHBondContact O-CB 3.25Å; I148-V174 PolarHBondContact O-N 2.99Å; I148-V174 VanDerWaalsContact O-O 3.06Å |
| 149 | Y | 55.9 | Low | 59.2 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 25% | 0.251 | 52% | 0.516 | S | S | . | . | trans | -90.8 | 104 | 170.3 | -171.6 | -103.9 | 0 | 0 | 0 | 108.3 | R151 L170 V173 | Y149-R151 PolarHBondContact O-N 2.85Å; Y149-R151 VanDerWaalsContact O-N 3.14Å; Y149-L170 HydrophobicContact CE1-CB 4.4Å; Y149-L170 HydrophobicContact CE1-CD1 3.78Å; Y149-L170 HydrophobicContact CE2-CB 4.35Å; Y149-L170 WeakPolarHBondContact OH-CB 3.44Å; Y149-V173 HydrophobicContact CD2-CG2 4.24Å; Y149-V173 HydrophobicContact CE2-CG2 4.48Å | ||
| 150 | E | 53.6 | Low | 57.2 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | trans | -75.8 | 102.3 | 175 | -76 | -178.2 | -177.4 | 0 | 0 | 109.1 | I148 N152 L170 | I148-E150 HydrophobicContact CG2-CG 4.23Å; E150-N152 PolarHBondContact O-N 2.96Å; E150-L170 WeakPolarHBondContact O-CD2 3.4Å | ||
| 151 | R | 54.2 | Low | 55.3 | Low | 168 Ų | 168 | 112.9 Ų | 112.9 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | trans | -63 | 123.3 | 163.8 | -160.3 | -178.8 | -137.2 | 162.2 | 4.5 | 107.4 | Y149 R153 L170 | Y149-R151 PolarHBondContact O-N 2.85Å; Y149-R151 VanDerWaalsContact O-N 3.14Å; R151-R153 PolarHBondContact O-N 3.35Å; R151-L170 VanDerWaalsContact CA-CD1 3.43Å; R151-L170 HydrophobicContact CB-CD1 4.32Å; R151-L170 HydrophobicContact CG-CD1 4.15Å | ||
| 152 | N | 52.8 | Low | 53.3 | Low | 113 Ų | 113 | 117 Ų | 117 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | trans | -36.2 | 119.7 | 179.9 | -100.2 | -34.4 | 0 | 0 | 0 | 109.5 | E150 G154 L170 | E150-N152 PolarHBondContact O-N 2.96Å; N152-G154 PolarHBondContact O-N 2.78Å; N152-L170 HydrophobicContact CB-CD2 3.89Å; N152-L170 HydrophobicContact CB-CG 4.42Å; N152-L170 WeakPolarHBondContact ND2-CD2 3.33Å | ||
| 153 | R | 50.7 | Low | 51.3 | Low | 248 Ų | 248 | 115.9 Ų | 115.9 | 94% | 0.936 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -34.3 | 106.9 | -175 | -69.5 | 176.2 | 174.6 | -179 | -4.7 | 110.8 | R151 | R151-R153 PolarHBondContact O-N 3.35Š|
| 154 | G | 37 | Very low | 49.5 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 174.1 | -1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 119 | N152 | N152-G154 PolarHBondContact O-N 2.78Š|
| 155 | V | 40.3 | Very low | 47.9 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -158.5 | 128.5 | 162 | -157.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 156 | N | 33.8 | Very low | 46.5 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -53.2 | 128.6 | 173.6 | -82.9 | -70.6 | 0 | 0 | 0 | 112.6 | ||||
| 157 | L | 40.5 | Very low | 45.1 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | -140.4 | 115.2 | 143.8 | -102.6 | 108.7 | 0 | 0 | 0 | 109.9 | ||||
| 158 | P | 35.2 | Very low | 44 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -69.3 | 136.9 | 162.8 | 32.4 | -28.1 | 0 | 0 | 0 | 106.4 | ||
| 159 | Y | 40 | Very low | 43.1 | Very low | 177 Ų | 177 | 129 Ų | 129 | 69% | 0.694 | 67% | 0.666 | S | S | * | * | trans | 82.9 | 51.3 | 171.6 | -133.6 | -93.1 | 0 | 0 | 0 | 117.9 | R161 | Y159-R161 HydrophobicContact CD1-CG 4.42Å; Y159-R161 HydrophobicContact CE1-CG 4.12Å; Y159-R161 PolarHBondContact O-N 2.94Å; Y159-R161 PolarHBondContact OH-NH2 3.34Å | ||
| 160 | C | 40.2 | Very low | 42.7 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | trans | -76.2 | 87.1 | 167.5 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 161 | R | 42.3 | Very low | 42.9 | Very low | 190 Ų | 190 | 128 Ų | 128 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -92.5 | 95.1 | 149.5 | -76.5 | -174.7 | -162.3 | -173.3 | 4.9 | 106.6 | Y159 | Y159-R161 HydrophobicContact CD1-CG 4.42Å; Y159-R161 HydrophobicContact CE1-CG 4.12Å; Y159-R161 PolarHBondContact O-N 2.94Å; Y159-R161 PolarHBondContact OH-NH2 3.34Å |
| 162 | V | 37.5 | Very low | 43.4 | Very low | 114 Ų | 114 | 122 Ų | 122 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | 64.4 | 99.2 | 170.2 | -159.5 | 0 | 0 | 0 | 0 | 114.7 | M142 | M142-V162 HydrophobicContact CE-CG1 4.23Å; M142-V162 HydrophobicContact SD-CG1 4.31Å | ||
| 163 | A | 39.9 | Very low | 44.2 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | trans | -140.6 | 112.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 164 | L | 42.3 | Very low | 45.3 | Very low | 82 Ų | 82 | 105.5 Ų | 105.5 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | trans | -104.1 | 172.1 | 165 | -57.8 | 168.8 | 0 | 0 | 0 | 107.7 | H138 M142 L167 | H138-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H138-L164 WeakPolarHBondContact CE1-CD2 3.45Å; H138-L164 WeakPolarHBondContact ND1-CD2 3.02Å; M142-L164 HydrophobicContact CE-CD1 3.97Å; M142-L164 HydrophobicContact SD-CD1 4.01Å; M142-L164 HydrophobicContact SD-CD2 4.49Å; M142-L164 HydrophobicContact SD-CG 4.41Å; L164-L167 HydrophobicContact CD2-CD1 3.9Å | ||
| 165 | P | 41.7 | Very low | 46.8 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | cis | -127.6 | 136.9 | -14.9 | 32.3 | -13.8 | 0 | 0 | 0 | 112.5 | ||||
| 166 | R | 37.8 | Very low | 48.4 | Very low | 236 Ų | 236 | 100.3 Ų | 100.3 | 89% | 0.891 | 53% | 0.527 | S | S | * | . | trans | -177.2 | 80.8 | 150.5 | -105.6 | 177.5 | -175.6 | 153.5 | 2.1 | 105.3 | ||||
| 167 | L | 40.5 | Very low | 50 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | trans | -118.4 | 39.4 | -146.9 | -136.9 | 104.3 | 0 | 0 | 0 | 112.7 | H138 L164 | H138-L167 HydrophobicContact CB-CD2 3.6Å; L164-L167 HydrophobicContact CD2-CD1 3.9Å | ||
| 168 | S | 42.7 | Very low | 51.4 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -105.5 | -13.7 | -172.6 | 74.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 169 | L | 46.7 | Very low | 52.8 | Low | 144 Ų | 144 | 102.9 Ų | 102.9 | 75% | 0.754 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -111.3 | 3.3 | -169.6 | -63.8 | 179.2 | 0 | 0 | 0 | 115.6 | ||
| 170 | L | 47 | Very low | 54 | Low | 34 Ų | 34 | 96.5 Ų | 96.5 | 18% | 0.178 | 49% | 0.485 | C | S | . | . | trans | -121.9 | 105.9 | -175.6 | -76.8 | 158.8 | 0 | 0 | 0 | 110.6 | Y149 E150 R151 N152 V172 | Y149-L170 HydrophobicContact CE1-CB 4.4Å; Y149-L170 HydrophobicContact CE1-CD1 3.78Å; Y149-L170 HydrophobicContact CE2-CB 4.35Å; Y149-L170 WeakPolarHBondContact OH-CB 3.44Å; E150-L170 WeakPolarHBondContact O-CD2 3.4Å; R151-L170 VanDerWaalsContact CA-CD1 3.43Å; R151-L170 HydrophobicContact CB-CD1 4.32Å; R151-L170 HydrophobicContact CG-CD1 4.15Å; N152-L170 HydrophobicContact CB-CD2 3.89Å; N152-L170 HydrophobicContact CB-CG 4.42Å; N152-L170 WeakPolarHBondContact ND2-CD2 3.33Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 2.89Å | ||
| 171 | Q | 57.8 | Low | 55.8 | Low | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | trans | -92.7 | 17.8 | -174.4 | -60.9 | -178 | -12.5 | 0 | 0 | 112.7 | L137 W187 S188 | L137-Q171 WeakPolarHBondContact CD1-O 3.23Å; Q171-W187 WeakPolarHBondContact O-CA 3.34Å; Q171-S188 PolarHBondContact O-N 3.06Å | ||
| 172 | V | 64.8 | Low | 57.9 | Low | 42 Ų | 42 | 93 Ų | 93 | 26% | 0.255 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.1 | -178 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | L170 V174 K185 I186 W187 | L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 2.89Å; V172-V174 HydrophobicContact CG1-CG2 4.49Å; V172-K185 HydrophobicContact CG1-CB 4.03Å; V172-I186 CarbonylContact C-O 3.25Å; V172-I186 VanDerWaalsContact CA-O 3.23Å; V172-I186 WeakPolarHBondContact CA-O 3.42Å; V172-W187 HydrophobicContact CG2-CD2 4.39Å; V172-W187 HydrophobicContact CG2-CG 4.2Å |
| 173 | V | 69.2 | Low | 60.3 | Low | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.8 | 168.9 | 173.7 | 0 | 0 | 0 | 0 | 109 | L137 V147 Y149 L175 K185 I186 | L137-V173 HydrophobicContact CB-CG2 3.63Å; L137-V173 HydrophobicContact CD1-CG2 4.23Å; L137-V173 HydrophobicContact CD2-CB 4.38Å; L137-V173 HydrophobicContact CD2-CG2 3.81Å; L137-V173 HydrophobicContact CG-CG2 4.08Å; V147-V173 HydrophobicContact CG1-CG1 3.47Å; V147-V173 VanDerWaalsContact CG1-CG1 3.47Å; Y149-V173 HydrophobicContact CD2-CG2 4.24Å; Y149-V173 HydrophobicContact CE2-CG2 4.48Å; V173-L175 HydrophobicContact CG1-CD2 3.88Å; V173-L175 HydrophobicContact CG1-CG 4.28Å; V173-K185 CarbonylContact O-C 3.54Å; V173-K185 WeakPolarHBondContact O-CA 3.5Å; V173-I186 HydrophobicContact CB-CB 4.37Å; V173-I186 PolarHBondContact N-O 3.06Å; V173-I186 PolarHBondContact O-N 3.11Å |
| 174 | V | 73.2 | Confident | 62.6 | Low | 14 Ų | 14 | 88.4 Ų | 88.4 | 9% | 0.085 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.1 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | I148 V172 V184 K185 | I148-V174 PolarHBondContact N-O 3.11Å; I148-V174 WeakPolarHBondContact O-CB 3.25Å; I148-V174 PolarHBondContact O-N 2.99Å; I148-V174 VanDerWaalsContact O-O 3.06Å; V172-V174 HydrophobicContact CG1-CG2 4.49Å; V174-V184 CarbonylContact C-O 3.53Å; V174-V184 VanDerWaalsContact CA-O 3.25Å; V174-V184 WeakPolarHBondContact CA-O 3.22Å; V174-K185 HydrophobicContact CG2-CG 4.29Å |
| 175 | L | 70.4 | Confident | 64.9 | Low | 3 Ų | 3 | 89 Ų | 89 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137 | 174.1 | -51.9 | 174.8 | 0 | 0 | 0 | 109.6 | T144 V147 V173 F183 V184 I186 M213 | T144-L175 WeakPolarHBondContact OG1-CD2 3.45Å; V147-L175 HydrophobicContact CB-CD2 3.85Å; V147-L175 HydrophobicContact CG1-CD2 3.98Å; V147-L175 HydrophobicContact CG2-CD2 3.18Å; V173-L175 HydrophobicContact CG1-CD2 3.88Å; V173-L175 HydrophobicContact CG1-CG 4.28Å; L175-F183 WeakPolarHBondContact O-CA 3.41Å; L175-V184 HydrophobicContact CB-CB 4.13Å; L175-V184 PolarHBondContact N-O 3.07Å; L175-V184 PolarHBondContact O-N 2.8Å; L175-I186 HydrophobicContact CD1-CD1 3.41Å; L175-I186 VanDerWaalsContact CD1-CD1 3.41Å; L175-I186 HydrophobicContact CG-CD1 3.95Å; L175-M213 HydrophobicContact CD1-CE 3.3Å; L175-M213 HydrophobicContact CD1-SD 4.41Å |
| 176 | Q | 72.6 | Confident | 67.1 | Low | 82 Ų | 82 | 83.8 Ų | 83.8 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 101.6 | 166.9 | -168.1 | 177.7 | 8.7 | 0 | 0 | 109.3 | N146 F183 | N146-Q176 WeakPolarHBondContact CB-O 3.41Å; N146-Q176 PolarHBondContact O-N 3Å; N146-Q176 VanDerWaalsContact O-N 3.11Å; Q176-F183 HydrophobicContact CB-CD1 4.49Å; Q176-F183 HydrophobicContact CB-CE1 4.38Å; Q176-F183 HydrophobicContact CG-CD1 4.34Å; Q176-F183 HydrophobicContact CG-CE1 3.97Å; Q176-F183 HydrophobicContact CG-CZ 4.44Å |
| 177 | T | 68.7 | Low | 69.6 | Low | 36 Ų | 36 | 75.2 Ų | 75.2 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136 | 174.9 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | P180 R181 C182 | T177-P180 CarbonylContact C-O 3.59Å; T177-P180 VanDerWaalsContact C-O 3.3Å; T177-P180 WeakPolarHBondContact CB-O 2.93Å; T177-P180 CarbonylContact O-C 3.58Å; T177-R181 VanDerWaalsContact O-CA 3.28Å; T177-R181 WeakPolarHBondContact O-CA 3.27Å; T177-C182 PolarHBondContact N-O 3.38Å; T177-C182 VanDerWaalsContact N-O 3.07Å |
| 178 | R | 69.2 | Low | 71.9 | Confident | 190 Ų | 190 | 73.7 Ų | 73.7 | 72% | 0.717 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | -36.4 | -179.7 | -69.2 | -170.7 | 179.6 | -163.8 | -0.2 | 113.1 | R181 | R178-R181 WeakPolarHBondContact O-CG 3.37Å |
| 179 | R | 64.2 | Low | 74.1 | Confident | 235 Ų | 235 | 71.8 Ų | 71.8 | 89% | 0.887 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.6 | 98.5 | -178.6 | -73.9 | -168.2 | 176.9 | 126.9 | -1.6 | 109 | ||
| 180 | P | 65.3 | Low | 76.2 | Confident | 44 Ų | 44 | 65 Ų | 65 | 29% | 0.286 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -80.1 | 156.5 | -0.3 | 20.8 | -10.7 | 0 | 0 | 0 | 112.4 | T177 C182 N206 | T177-P180 CarbonylContact C-O 3.59Å; T177-P180 VanDerWaalsContact C-O 3.3Å; T177-P180 WeakPolarHBondContact CB-O 2.93Å; T177-P180 CarbonylContact O-C 3.58Å; P180-C182 PolarHBondContact O-N 3.41Å; P180-N206 HydrophobicContact CG-CB 3.93Å; P180-N206 WeakPolarHBondContact CG-ND2 3.32Å; P180-N206 WeakPolarHBondContact CG-OD1 3.08Å |
| 181 | R | 78.1 | Confident | 78.4 | Confident | 207 Ų | 207 | 67 Ų | 67 | 78% | 0.781 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 80.6 | 173.5 | -68.9 | -174.9 | -179.2 | 178.8 | 0.1 | 110.1 | T177 R178 | T177-R181 VanDerWaalsContact O-CA 3.28Å; T177-R181 WeakPolarHBondContact O-CA 3.27Å; R178-R181 WeakPolarHBondContact O-CG 3.37Å |
| 182 | C | 85.8 | Confident | 80 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.5 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 110 | T177 P180 V194 S195 N197 | T177-C182 PolarHBondContact N-O 3.38Å; T177-C182 VanDerWaalsContact N-O 3.07Å; P180-C182 PolarHBondContact O-N 3.41Å; C182-V194 HydrophobicContact CB-CG1 4.06Å; C182-S195 CarbonylContact C-O 3.48Å; C182-S195 VanDerWaalsContact CA-O 3.29Å; C182-S195 WeakPolarHBondContact CA-O 3.37Å; C182-S195 WeakPolarHBondContact CB-O 3.37Å; C182-N197 PolarHBondContact SG-OD1 2.91Å |
| 183 | F | 87.5 | Confident | 81.4 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 43% | 0.425 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.1 | 171.5 | -66.2 | -81.8 | 0 | 0 | 0 | 108.6 | L175 Q176 V194 S195 | L175-F183 WeakPolarHBondContact O-CA 3.41Å; Q176-F183 HydrophobicContact CB-CD1 4.49Å; Q176-F183 HydrophobicContact CB-CE1 4.38Å; Q176-F183 HydrophobicContact CG-CD1 4.34Å; Q176-F183 HydrophobicContact CG-CE1 3.97Å; Q176-F183 HydrophobicContact CG-CZ 4.44Å; F183-V194 WeakPolarHBondContact O-CA 3.36Å; F183-S195 PolarHBondContact N-O 3.38Å; F183-S195 PolarHBondContact O-N 2.86Å |
| 184 | V | 89.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.9 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | V174 L175 I186 V192 I193 V194 V210 | V174-V184 CarbonylContact C-O 3.53Å; V174-V184 VanDerWaalsContact CA-O 3.25Å; V174-V184 WeakPolarHBondContact CA-O 3.22Å; L175-V184 HydrophobicContact CB-CB 4.13Å; L175-V184 PolarHBondContact N-O 3.07Å; L175-V184 PolarHBondContact O-N 2.8Å; V184-I186 HydrophobicContact CG1-CD1 4.32Å; V184-I186 HydrophobicContact CG1-CG1 3.87Å; V184-V192 HydrophobicContact CG1-CG1 3.47Å; V184-V192 VanDerWaalsContact CG1-CG1 3.47Å; V184-I193 CarbonylContact C-O 3.57Å; V184-I193 WeakPolarHBondContact CA-O 3.48Å; V184-V194 HydrophobicContact CG1-CG2 4.33Å; V184-V194 HydrophobicContact CG2-CG1 4.37Å; V184-V194 HydrophobicContact CG2-CG2 4.36Å; V184-V210 HydrophobicContact CG1-CG1 3.64Å; V184-V210 HydrophobicContact CG2-CG1 4.21Å; V184-V210 HydrophobicContact CG2-CG2 3.59Å |
| 185 | K | 89.5 | Confident | 83.3 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.7 | 169.2 | -61.6 | -169.6 | 175.4 | -170.3 | 0 | 108.2 | V172 V173 V174 W187 V192 I193 | V172-K185 HydrophobicContact CG1-CB 4.03Å; V173-K185 CarbonylContact O-C 3.54Å; V173-K185 WeakPolarHBondContact O-CA 3.5Å; V174-K185 HydrophobicContact CG2-CG 4.29Å; K185-W187 HydrophobicContact CB-CE3 4.43Å; K185-W187 HydrophobicContact CB-CH2 3.48Å; K185-W187 VanDerWaalsContact CB-CH2 3.48Å; K185-W187 HydrophobicContact CB-CZ2 4.32Å; K185-W187 HydrophobicContact CB-CZ3 3.57Å; K185-W187 HydrophobicContact CD-CH2 4.22Å; K185-W187 HydrophobicContact CG-CH2 4.46Å; K185-W187 WeakPolarHBondContact O-CZ3 3.29Å; K185-V192 CarbonylContact O-C 3.54Å; K185-V192 WeakPolarHBondContact O-CA 3.44Å; K185-I193 HydrophobicContact CB-CB 4.45Å; K185-I193 PolarHBondContact N-O 3.26Å; K185-I193 PolarHBondContact O-N 2.99Å |
| 186 | I | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | -178.3 | -59.1 | 161.5 | 0 | 0 | 0 | 108 | L135 L137 V140 V172 V173 L175 V184 V192 L214 | L135-I186 HydrophobicContact CD1-CG2 3.56Å; L137-I186 HydrophobicContact CD2-CG2 3.97Å; V140-I186 HydrophobicContact CG1-CD1 4.09Å; V172-I186 CarbonylContact C-O 3.25Å; V172-I186 VanDerWaalsContact CA-O 3.23Å; V172-I186 WeakPolarHBondContact CA-O 3.42Å; V173-I186 HydrophobicContact CB-CB 4.37Å; V173-I186 PolarHBondContact N-O 3.06Å; V173-I186 PolarHBondContact O-N 3.11Å; L175-I186 HydrophobicContact CD1-CD1 3.41Å; L175-I186 VanDerWaalsContact CD1-CD1 3.41Å; L175-I186 HydrophobicContact CG-CD1 3.95Å; V184-I186 HydrophobicContact CG1-CD1 4.32Å; V184-I186 HydrophobicContact CG1-CG1 3.87Å; I186-V192 HydrophobicContact CG1-CG1 4.17Å; I186-V192 HydrophobicContact CG1-CG2 4.27Å; I186-V192 HydrophobicContact CG2-CG2 4.31Å; I186-L214 HydrophobicContact CD1-CD1 4.42Å; I186-L214 HydrophobicContact CD1-CD2 3.77Å |
| 187 | W | 90.1 | Very high | 85 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 152.6 | 175.1 | -69.5 | -101.8 | 0 | 0 | 0 | 111.5 | Q171 V172 K185 S189 G190 K191 I193 | Q171-W187 WeakPolarHBondContact O-CA 3.34Å; V172-W187 HydrophobicContact CG2-CD2 4.39Å; V172-W187 HydrophobicContact CG2-CG 4.2Å; K185-W187 HydrophobicContact CB-CE3 4.43Å; K185-W187 HydrophobicContact CB-CH2 3.48Å; K185-W187 VanDerWaalsContact CB-CH2 3.48Å; K185-W187 HydrophobicContact CB-CZ2 4.32Å; K185-W187 HydrophobicContact CB-CZ3 3.57Å; K185-W187 HydrophobicContact CD-CH2 4.22Å; K185-W187 HydrophobicContact CG-CH2 4.46Å; K185-W187 WeakPolarHBondContact O-CZ3 3.29Å; W187-S189 PolarHBondContact O-N 3.3Å; W187-G190 PolarHBondContact O-N 2.79Å; W187-K191 HydrophobicContact CB-CB 4.14Å; W187-K191 HydrophobicContact CD2-CB 4.36Å; W187-K191 HydrophobicContact CD2-CD 4.42Å; W187-K191 HydrophobicContact CE3-CB 4.07Å; W187-K191 HydrophobicContact CE3-CD 4.32Å; W187-K191 HydrophobicContact CE3-CG 4.05Å; W187-K191 VanDerWaalsContact CE3-O 3.3Å; W187-K191 HydrophobicContact CG-CB 4.42Å; W187-K191 PolarHBondContact N-O 3.38Å; W187-I193 HydrophobicContact CE3-CG1 4.47Å; W187-I193 HydrophobicContact CH2-CB 3.74Å; W187-I193 HydrophobicContact CH2-CD1 3.33Å; W187-I193 HydrophobicContact CH2-CG1 3.52Å; W187-I193 HydrophobicContact CZ2-CD1 4.18Å; W187-I193 HydrophobicContact CZ3-CB 3.58Å; W187-I193 HydrophobicContact CZ3-CD1 3.73Å; W187-I193 HydrophobicContact CZ3-CG1 3.37Å |
| 188 | S | 87.1 | Confident | 85.9 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.9 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | H134 L135 Q171 G190 | H134-S188 WeakPolarHBondContact CA-O 3.2Å; H134-S188 PolarHBondContact ND1-O 3.38Å; L135-S188 PolarHBondContact N-O 2.95Å; Q171-S188 PolarHBondContact O-N 3.06Å; S188-G190 PolarHBondContact O-N 2.83Å |
| 189 | S | 89.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.6 | 174 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | W187 | W187-S189 PolarHBondContact O-N 3.3Š|
| 190 | G | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 88.8 | -0.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N130 T131 C133 W187 S188 | N130-G190 PolarHBondContact OD1-O 3.21Å; T131-G190 PolarHBondContact N-O 3.29Å; T131-G190 WeakPolarHBondContact OG1-CA 3.31Å; T131-G190 PolarHBondContact OG1-O 2.88Å; T131-G190 VanDerWaalsContact OG1-O 3.05Å; C133-G190 WeakPolarHBondContact O-CA 3.25Å; W187-G190 PolarHBondContact O-N 2.79Å; S188-G190 PolarHBondContact O-N 2.83Å |
| 191 | K | 93.4 | Very high | 89 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 139.3 | 168.5 | -170.4 | 179.9 | -173.5 | 178.2 | 0 | 109.4 | M128 W187 | M128-K191 HydrophobicContact CG-CG 4.04Å; M128-K191 HydrophobicContact SD-CD 4.33Å; M128-K191 WeakPolarHBondContact SD-CE 3.49Å; M128-K191 HydrophobicContact SD-CG 4.25Å; W187-K191 HydrophobicContact CB-CB 4.14Å; W187-K191 HydrophobicContact CD2-CB 4.36Å; W187-K191 HydrophobicContact CD2-CD 4.42Å; W187-K191 HydrophobicContact CE3-CB 4.07Å; W187-K191 HydrophobicContact CE3-CD 4.32Å; W187-K191 HydrophobicContact CE3-CG 4.05Å; W187-K191 VanDerWaalsContact CE3-O 3.3Å; W187-K191 HydrophobicContact CG-CB 4.42Å; W187-K191 PolarHBondContact N-O 3.38Å |
| 192 | V | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.8 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | M128 F129 T131 V184 K185 I186 V194 V210 L214 | M128-V192 CarbonylContact C-O 3.38Å; M128-V192 WeakPolarHBondContact CA-O 3.35Å; F129-V192 HydrophobicContact CD1-CB 4.06Å; F129-V192 HydrophobicContact CD1-CG1 4.25Å; F129-V192 HydrophobicContact CD2-CB 4.21Å; F129-V192 HydrophobicContact CD2-CG2 4.49Å; F129-V192 HydrophobicContact CE1-CB 3.64Å; F129-V192 HydrophobicContact CE1-CG1 3.45Å; F129-V192 VanDerWaalsContact CE1-CG1 3.45Å; F129-V192 HydrophobicContact CE1-CG2 4.49Å; F129-V192 HydrophobicContact CE2-CB 3.8Å; F129-V192 HydrophobicContact CE2-CG1 4.26Å; F129-V192 HydrophobicContact CE2-CG2 3.85Å; F129-V192 HydrophobicContact CG-CB 4.34Å; F129-V192 HydrophobicContact CZ-CB 3.5Å; F129-V192 HydrophobicContact CZ-CG1 3.46Å; F129-V192 VanDerWaalsContact CZ-CG1 3.46Å; F129-V192 HydrophobicContact CZ-CG2 3.86Å; F129-V192 PolarHBondContact N-O 2.84Å; F129-V192 PolarHBondContact O-N 3Å; T131-V192 HydrophobicContact CG2-CG2 3.89Å; V184-V192 HydrophobicContact CG1-CG1 3.47Å; V184-V192 VanDerWaalsContact CG1-CG1 3.47Å; K185-V192 CarbonylContact O-C 3.54Å; K185-V192 WeakPolarHBondContact O-CA 3.44Å; I186-V192 HydrophobicContact CG1-CG1 4.17Å; I186-V192 HydrophobicContact CG1-CG2 4.27Å; I186-V192 HydrophobicContact CG2-CG2 4.31Å; V192-V194 HydrophobicContact CG1-CG2 4.33Å; V192-V210 HydrophobicContact CG1-CG1 4.16Å; V192-L214 HydrophobicContact CG2-CD1 3.91Å |
| 193 | I | 93.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.6 | 175.6 | -66.5 | -175.5 | 0 | 0 | 0 | 108.8 | V126 T127 M128 V184 K185 W187 | V126-I193 HydrophobicContact CG1-CG2 3.51Å; T127-I193 CarbonylContact O-C 3.59Å; T127-I193 VanDerWaalsContact O-CA 3.29Å; T127-I193 WeakPolarHBondContact O-CA 3.33Å; M128-I193 HydrophobicContact CB-CG1 4.12Å; M128-I193 HydrophobicContact CG-CG1 3.91Å; V184-I193 CarbonylContact C-O 3.57Å; V184-I193 WeakPolarHBondContact CA-O 3.48Å; K185-I193 HydrophobicContact CB-CB 4.45Å; K185-I193 PolarHBondContact N-O 3.26Å; K185-I193 PolarHBondContact O-N 2.99Å; W187-I193 HydrophobicContact CE3-CG1 4.47Å; W187-I193 HydrophobicContact CH2-CB 3.74Å; W187-I193 HydrophobicContact CH2-CD1 3.33Å; W187-I193 HydrophobicContact CH2-CG1 3.52Å; W187-I193 HydrophobicContact CZ2-CD1 4.18Å; W187-I193 HydrophobicContact CZ3-CB 3.58Å; W187-I193 HydrophobicContact CZ3-CD1 3.73Å; W187-I193 HydrophobicContact CZ3-CG1 3.37Å |
| 194 | V | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.8 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | V126 T127 F129 C182 F183 V184 V192 V210 | V126-V194 WeakPolarHBondContact CA-O 3.33Å; T127-V194 PolarHBondContact N-O 3.05Å; T127-V194 PolarHBondContact O-N 3.42Å; F129-V194 HydrophobicContact CD1-CG2 4.46Å; F129-V194 HydrophobicContact CE1-CG2 3.88Å; C182-V194 HydrophobicContact CB-CG1 4.06Å; F183-V194 WeakPolarHBondContact O-CA 3.36Å; V184-V194 HydrophobicContact CG1-CG2 4.33Å; V184-V194 HydrophobicContact CG2-CG1 4.37Å; V184-V194 HydrophobicContact CG2-CG2 4.36Å; V192-V194 HydrophobicContact CG1-CG2 4.33Å; V194-V210 HydrophobicContact CG2-CG2 4.39Å |
| 195 | S | 91 | Very high | 90.3 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 158.4 | 180 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | V126 C182 F183 | V126-S195 WeakPolarHBondContact CG1-OG 3.34Å; C182-S195 CarbonylContact C-O 3.48Å; C182-S195 VanDerWaalsContact CA-O 3.29Å; C182-S195 WeakPolarHBondContact CA-O 3.37Å; C182-S195 WeakPolarHBondContact CB-O 3.37Å; F183-S195 PolarHBondContact N-O 3.38Å; F183-S195 PolarHBondContact O-N 2.86Å |
| 196 | G | 88.3 | Confident | 90.5 | Very high | 32 Ų | 32 | 49 Ų | 49 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 98 | 16.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N124 | N124-G196 WeakPolarHBondContact OD1-CA 3.22Å; N124-G196 PolarHBondContact OD1-N 3.14Å |
| 197 | N | 89.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.6 | 178.8 | -53.2 | -75.3 | 0 | 0 | 0 | 110.5 | N124 V125 C182 A203 N206 | N124-N197 CarbonylContact C-O 3.54Å; N124-N197 VanDerWaalsContact CA-O 3.28Å; N124-N197 WeakPolarHBondContact CA-O 3.21Å; N124-N197 PolarHBondContact OD1-N 2.95Å; V125-N197 HydrophobicContact CB-CB 4.24Å; V125-N197 PolarHBondContact N-O 3.27Å; V125-N197 PolarHBondContact O-ND2 3.12Å; V125-N197 VanDerWaalsContact O-ND2 3.12Å; C182-N197 PolarHBondContact SG-OD1 2.91Å; N197-A203 HydrophobicContact CB-CB 3.56Å; N197-A203 VanDerWaalsContact CG-CA 3.45Å; N197-N206 PolarHBondContact OD1-ND2 2.88Å |
| 198 | L | 87.6 | Confident | 90.9 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -86.4 | -17.1 | 179.1 | -61.2 | 177 | 0 | 0 | 0 | 113.7 | I122 | I122-L198 WeakPolarHBondContact CG2-O 3.32Š|
| 199 | S | 87.6 | Confident | 91.1 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -142.8 | 153 | -178.3 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | L202 A203 | S199-L202 PolarHBondContact O-N 2.67Å; S199-A203 WeakPolarHBondContact O-CB 3.44Å; S199-A203 PolarHBondContact O-N 2.93Å |
| 200 | E | 87.1 | Confident | 91.1 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.6 | -178.3 | -135 | 172.7 | 0 | 0 | 112 | Y6 L202 A203 R204 V229 | Y6-E200 HydrophobicContact CD2-CG 4.47Å; Y6-E200 HydrophobicContact CE2-CG 3.92Å; Y6-E200 VanDerWaalsContact CE2-OE1 3.3Å; Y6-E200 WeakPolarHBondContact CE2-OE1 3.39Å; Y6-E200 WeakPolarHBondContact CE2-OE2 3.28Å; Y6-E200 VanDerWaalsContact CZ-CD 3.47Å; Y6-E200 VanDerWaalsContact OH-CD 3.28Å; Y6-E200 PolarHBondContact OH-OE1 3.11Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.73Å; E200-A203 WeakPolarHBondContact O-CA 3.46Å; E200-A203 WeakPolarHBondContact O-CB 3.18Å; E200-A203 PolarHBondContact O-N 3.24Å; E200-A203 VanDerWaalsContact O-N 3.08Å; E200-R204 PolarHBondContact O-N 2.82Å; E200-V229 HydrophobicContact CG-CG2 4.03Å |
| 201 | E | 90 | Very high | 91.3 | Very high | 125 Ų | 125 | 50.2 Ų | 50.2 | 58% | 0.584 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 176.9 | -165.6 | -159.5 | 145.5 | 0 | 0 | 111 | A203 R204 R205 | E201-A203 VanDerWaalsContact C-N 3.34Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.16Å; E201-R205 IonicContact OE1-NH2 2.76Å; E201-R205 PolarHBondContact OE1-NH2 2.88Å |
| 202 | L | 90.3 | Very high | 91.2 | Very high | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.7 | -175.6 | 60 | 0 | 0 | 0 | 110.4 | S199 E200 R204 R205 N206 | S199-L202 PolarHBondContact O-N 2.67Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.73Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.46Å; L202-R205 PolarHBondContact O-N 3.16Å; L202-N206 WeakPolarHBondContact CG-ND2 3.42Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 2.88Å; L202-N206 PolarHBondContact O-ND2 3.49Å; L202-N206 PolarHBondContact O-OD1 2.88Å; L202-N206 VanDerWaalsContact O-OD1 3.11Å |
| 203 | A | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V125 T127 N197 S199 E200 E201 S207 | V125-A203 HydrophobicContact CB-CB 4.27Å; V125-A203 HydrophobicContact CG1-CB 3.93Å; T127-A203 HydrophobicContact CG2-CB 3.53Å; N197-A203 HydrophobicContact CB-CB 3.56Å; N197-A203 VanDerWaalsContact CG-CA 3.45Å; S199-A203 WeakPolarHBondContact O-CB 3.44Å; S199-A203 PolarHBondContact O-N 2.93Å; E200-A203 WeakPolarHBondContact O-CA 3.46Å; E200-A203 WeakPolarHBondContact O-CB 3.18Å; E200-A203 PolarHBondContact O-N 3.24Å; E200-A203 VanDerWaalsContact O-N 3.08Å; E201-A203 VanDerWaalsContact C-N 3.34Å; A203-S207 VanDerWaalsContact O-CB 3.31Å; A203-S207 WeakPolarHBondContact O-CB 3.37Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.93Å |
| 204 | R | 93.1 | Very high | 90.8 | Very high | 129 Ų | 129 | 55 Ų | 55 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.5 | -168.4 | 178.1 | -179.5 | 106 | -1.2 | 111.5 | E200 E201 L202 N206 S207 R208 Y227 | E200-R204 PolarHBondContact O-N 2.82Å; E201-R204 PolarHBondContact O-N 2.85Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.46Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.81Å; R204-S207 PolarHBondContact O-N 3.14Å; R204-R208 WeakPolarHBondContact O-CG 3.37Å; R204-R208 PolarHBondContact O-N 3.47Å; R204-Y227 VanDerWaalsContact CA-OH 3.28Å; R204-Y227 WeakPolarHBondContact CA-OH 3.47Å; R204-Y227 HydrophobicContact CB-CE1 4.2Å; R204-Y227 HydrophobicContact CB-CE2 4.41Å; R204-Y227 WeakPolarHBondContact CB-OH 3.48Å; R204-Y227 HydrophobicContact CG-CE1 3.98Å; R204-Y227 HydrophobicContact CG-CE2 4.43Å; R204-Y227 PolarHBondContact N-OH 3.31Å |
| 205 | R | 93.3 | Very high | 90.8 | Very high | 156 Ų | 156 | 59 Ų | 59 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | 176.9 | -169.2 | 178.9 | -60.6 | 178.3 | 3.2 | 111.4 | E201 L202 R208 G209 | E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.16Å; E201-R205 IonicContact OE1-NH2 2.76Å; E201-R205 PolarHBondContact OE1-NH2 2.88Å; L202-R205 PolarHBondContact O-N 3.16Å; R205-R208 PolarHBondContact O-N 2.55Å; R205-G209 PolarHBondContact O-N 2.94Å |
| 206 | N | 92.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | -178 | -61 | -8.9 | 0 | 0 | 0 | 111.4 | P180 N197 L202 R204 R208 G209 V210 | P180-N206 HydrophobicContact CG-CB 3.93Å; P180-N206 WeakPolarHBondContact CG-ND2 3.32Å; P180-N206 WeakPolarHBondContact CG-OD1 3.08Å; N197-N206 PolarHBondContact OD1-ND2 2.88Å; L202-N206 WeakPolarHBondContact CG-ND2 3.42Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 2.88Å; L202-N206 PolarHBondContact O-ND2 3.49Å; L202-N206 PolarHBondContact O-OD1 2.88Å; L202-N206 VanDerWaalsContact O-OD1 3.11Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.81Å; N206-R208 VanDerWaalsContact C-N 3.31Å; N206-R208 PolarHBondContact O-N 2.77Å; N206-G209 WeakPolarHBondContact O-CA 2.99Å; N206-G209 PolarHBondContact O-N 2.79Å; N206-G209 VanDerWaalsContact O-N 3.11Å; N206-V210 WeakPolarHBondContact O-CG2 3.4Å; N206-V210 PolarHBondContact O-N 2.82Å |
| 207 | S | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | T127 A203 R204 V210 A211 | T127-S207 PolarHBondContact OG1-OG 3.05Å; A203-S207 VanDerWaalsContact O-CB 3.31Å; A203-S207 WeakPolarHBondContact O-CB 3.37Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.93Å; R204-S207 PolarHBondContact O-N 3.14Å; S207-V210 PolarHBondContact O-N 3.09Å; S207-A211 PolarHBondContact O-N 3.29Å |
| 208 | R | 93.7 | Very high | 90.5 | Very high | 126 Ų | 126 | 67.3 Ų | 67.3 | 48% | 0.475 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 172.9 | -69.6 | 176.2 | 69.6 | -178 | 4.7 | 112.5 | R204 R205 N206 V210 A211 R212 F224 | R204-R208 WeakPolarHBondContact O-CG 3.37Å; R204-R208 PolarHBondContact O-N 3.47Å; R205-R208 PolarHBondContact O-N 2.55Å; N206-R208 VanDerWaalsContact C-N 3.31Å; N206-R208 PolarHBondContact O-N 2.77Å; R208-V210 VanDerWaalsContact C-N 3.34Å; R208-A211 PolarHBondContact O-N 3.06Å; R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 2.84Å; R208-F224 HydrophobicContact CG-CD1 4.27Å; R208-F224 HydrophobicContact CG-CE1 3.89Å; R208-F224 HydrophobicContact CG-CE2 4.34Å; R208-F224 HydrophobicContact CG-CZ 3.9Å |
| 209 | G | 91.8 | Very high | 90.5 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R205 N206 R212 M213 | R205-G209 PolarHBondContact O-N 2.94Å; N206-G209 WeakPolarHBondContact O-CA 2.99Å; N206-G209 PolarHBondContact O-N 2.79Å; N206-G209 VanDerWaalsContact O-N 3.11Å; G209-R212 PolarHBondContact O-N 2.85Å; G209-M213 PolarHBondContact O-N 2.81Å |
| 210 | V | 90.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | F129 V184 V192 V194 N206 S207 R208 R212 M213 L214 | F129-V210 HydrophobicContact CE1-CB 4.49Å; F129-V210 HydrophobicContact CE1-CG1 4.36Å; F129-V210 HydrophobicContact CZ-CB 4.3Å; F129-V210 HydrophobicContact CZ-CG1 3.96Å; V184-V210 HydrophobicContact CG1-CG1 3.64Å; V184-V210 HydrophobicContact CG2-CG1 4.21Å; V184-V210 HydrophobicContact CG2-CG2 3.59Å; V192-V210 HydrophobicContact CG1-CG1 4.16Å; V194-V210 HydrophobicContact CG2-CG2 4.39Å; N206-V210 WeakPolarHBondContact O-CG2 3.4Å; N206-V210 PolarHBondContact O-N 2.82Å; S207-V210 PolarHBondContact O-N 3.09Å; R208-V210 VanDerWaalsContact C-N 3.34Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 2.94Å; V210-M213 HydrophobicContact CG1-CE 4.19Å; V210-M213 WeakPolarHBondContact O-CB 3.28Å; V210-M213 PolarHBondContact O-N 2.86Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.11Å; V210-L214 PolarHBondContact O-N 3.01Å |
| 211 | A | 92.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 5% | 0.05 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F129 S207 R208 M213 L214 Q215 F224 | F129-A211 HydrophobicContact CE2-CB 3.91Å; F129-A211 HydrophobicContact CZ-CB 4.13Å; S207-A211 PolarHBondContact O-N 3.29Å; R208-A211 PolarHBondContact O-N 3.06Å; A211-M213 PolarHBondContact O-N 3.08Å; A211-L214 PolarHBondContact O-N 3.39Å; A211-Q215 WeakPolarHBondContact O-CB 3.41Å; A211-Q215 PolarHBondContact O-N 3.48Å; A211-F224 HydrophobicContact CB-CB 4.06Å; A211-F224 HydrophobicContact CB-CD2 3.67Å; A211-F224 HydrophobicContact CB-CG 4.26Å |
| 212 | R | 91.2 | Very high | 90.8 | Very high | 157 Ų | 157 | 61 Ų | 61 | 59% | 0.592 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 174.5 | -73.7 | 178.2 | 175 | -178.9 | -3.3 | 112.8 | R208 G209 V210 Q215 K216 | R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 2.84Å; G209-R212 PolarHBondContact O-N 2.85Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 2.94Å; R212-Q215 PolarHBondContact O-N 3.19Å; R212-K216 WeakPolarHBondContact O-CG 3.36Å; R212-K216 PolarHBondContact O-N 2.98Å |
| 213 | M | 88.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.4 | 174.8 | -164.4 | 74 | 0 | 0 | 110.6 | T144 L175 G209 V210 A211 Q215 K216 C217 | T144-M213 HydrophobicContact CG2-CE 4.47Å; T144-M213 HydrophobicContact CG2-SD 4.43Å; L175-M213 HydrophobicContact CD1-CE 3.3Å; L175-M213 HydrophobicContact CD1-SD 4.41Å; G209-M213 PolarHBondContact O-N 2.81Å; V210-M213 HydrophobicContact CG1-CE 4.19Å; V210-M213 WeakPolarHBondContact O-CB 3.28Å; V210-M213 PolarHBondContact O-N 2.86Å; A211-M213 PolarHBondContact O-N 3.08Å; M213-Q215 VanDerWaalsContact C-N 3.34Å; M213-Q215 PolarHBondContact O-N 3.19Å; M213-K216 PolarHBondContact O-N 2.86Å; M213-C217 PolarHBondContact O-N 2.78Å; M213-C217 PolarHBondContact O-SG 3.2Å |
| 214 | L | 89.9 | Confident | 91.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.8 | -69.6 | 176 | 0 | 0 | 0 | 111.9 | T131 V140 I186 V192 V210 A211 K216 C217 I218 V222 | T131-L214 HydrophobicContact CG2-CD1 4.05Å; V140-L214 HydrophobicContact CG1-CD2 4.07Å; I186-L214 HydrophobicContact CD1-CD1 4.42Å; I186-L214 HydrophobicContact CD1-CD2 3.77Å; V192-L214 HydrophobicContact CG2-CD1 3.91Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.11Å; V210-L214 PolarHBondContact O-N 3.01Å; A211-L214 PolarHBondContact O-N 3.39Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 2.8Å; L214-C217 PolarHBondContact O-N 2.76Å; L214-I218 HydrophobicContact CB-CD1 4.06Å; L214-I218 HydrophobicContact CD2-CD1 3.96Å; L214-I218 WeakPolarHBondContact O-CB 3.3Å; L214-I218 PolarHBondContact O-N 2.89Å; L214-V222 HydrophobicContact CB-CG1 3.9Å; L214-V222 HydrophobicContact CB-CG2 4.43Å |
| 215 | Q | 92.2 | Very high | 91.1 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 175.8 | -162.7 | 179.3 | 17.1 | 0 | 0 | 112.3 | A211 R212 M213 G219 V222 | A211-Q215 WeakPolarHBondContact O-CB 3.41Å; A211-Q215 PolarHBondContact O-N 3.48Å; R212-Q215 PolarHBondContact O-N 3.19Å; M213-Q215 VanDerWaalsContact C-N 3.34Å; M213-Q215 PolarHBondContact O-N 3.19Å; Q215-G219 WeakPolarHBondContact CA-O 3.4Å; Q215-G219 WeakPolarHBondContact CG-O 3.39Å; Q215-G219 CarbonylContact O-C 3.53Å; Q215-G219 VanDerWaalsContact O-C 3.25Å; Q215-G219 VanDerWaalsContact O-CA 3.25Å; Q215-G219 WeakPolarHBondContact O-CA 3.37Å; Q215-G219 PolarHBondContact O-N 2.99Å; Q215-G219 VanDerWaalsContact O-O 3.04Å; Q215-V222 HydrophobicContact CB-CB 4.12Å; Q215-V222 HydrophobicContact CB-CG1 4.45Å; Q215-V222 HydrophobicContact CG-CB 4.38Å |
| 216 | K | 89.2 | Confident | 91.1 | Very high | 183 Ų | 183 | 59.2 Ų | 59.2 | 80% | 0.796 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.1 | -37.6 | 174.1 | -71.7 | -179.6 | 179.2 | -169.2 | 0 | 113 | R212 M213 L214 | R212-K216 WeakPolarHBondContact O-CG 3.36Å; R212-K216 PolarHBondContact O-N 2.98Å; M213-K216 PolarHBondContact O-N 2.86Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 2.8Å |
| 217 | C | 86 | Confident | 91.2 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -80.8 | -34.3 | -176.5 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | R143 T144 M213 L214 | R143-C217 HydrophobicContact CB-CB 4.17Å; R143-C217 WeakPolarHBondContact CD-O 3.36Å; R143-C217 PolarHBondContact NH1-O 2.85Å; T144-C217 HydrophobicContact CG2-CB 4.32Å; T144-C217 WeakPolarHBondContact CG2-SG 2.94Å; M213-C217 PolarHBondContact O-N 2.78Å; M213-C217 PolarHBondContact O-SG 3.2Å; L214-C217 PolarHBondContact O-N 2.76Å |
| 218 | I | 87.2 | Confident | 91.2 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -103.8 | -44.1 | -172.7 | -67.1 | 148.2 | 0 | 0 | 0 | 110.9 | L135 V140 L214 Q221 V222 | L135-I218 HydrophobicContact CD1-CD1 4.32Å; L135-I218 HydrophobicContact CD2-CD1 3.54Å; L135-I218 HydrophobicContact CD2-CG1 4.47Å; L135-I218 HydrophobicContact CD2-CG2 4.35Å; L135-I218 HydrophobicContact CG-CD1 4.4Å; V140-I218 HydrophobicContact CG2-CD1 3.61Å; V140-I218 HydrophobicContact CG2-CG1 3.82Å; L214-I218 HydrophobicContact CB-CD1 4.06Å; L214-I218 HydrophobicContact CD2-CD1 3.96Å; L214-I218 WeakPolarHBondContact O-CB 3.3Å; L214-I218 PolarHBondContact O-N 2.89Å; I218-Q221 HydrophobicContact CG2-CG 4.32Å; I218-Q221 PolarHBondContact O-NE2 3.48Å; I218-V222 HydrophobicContact CB-CG2 3.96Å; I218-V222 HydrophobicContact CD1-CG2 3.99Å; I218-V222 HydrophobicContact CG2-CG2 4Å |
| 219 | G | 88.5 | Confident | 91 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | trans | 136.5 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q215 Q221 V222 | Q215-G219 WeakPolarHBondContact CA-O 3.4Å; Q215-G219 WeakPolarHBondContact CG-O 3.39Å; Q215-G219 CarbonylContact O-C 3.53Å; Q215-G219 VanDerWaalsContact O-C 3.25Å; Q215-G219 VanDerWaalsContact O-CA 3.25Å; Q215-G219 WeakPolarHBondContact O-CA 3.37Å; Q215-G219 PolarHBondContact O-N 2.99Å; Q215-G219 VanDerWaalsContact O-O 3.04Å; G219-Q221 PolarHBondContact O-N 2.84Å; G219-Q221 VanDerWaalsContact O-N 3.16Å; G219-V222 PolarHBondContact O-N 3.17Å | ||
| 220 | P | 88.8 | Confident | 90.8 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 66% | 0.662 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.6 | -174 | 28.1 | -35.5 | 0 | 0 | 0 | 114.6 | V222 | P220-V222 PolarHBondContact O-N 2.87Š|
| 221 | Q | 90.1 | Very high | 90.6 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12 | 179 | 66.4 | -88.1 | 29.7 | 0 | 0 | 114.6 | C133 I218 G219 H223 | C133-Q221 HydrophobicContact CB-CG 4.3Å; C133-Q221 PolarHBondContact SG-O 3.39Å; C133-Q221 VanDerWaalsContact SG-O 3.38Å; I218-Q221 HydrophobicContact CG2-CG 4.32Å; I218-Q221 PolarHBondContact O-NE2 3.48Å; G219-Q221 PolarHBondContact O-N 2.84Å; G219-Q221 VanDerWaalsContact O-N 3.16Å; Q221-H223 PolarHBondContact O-CD2 3.06Å; Q221-H223 PolarHBondContact O-N 3.25Å |
| 222 | V | 92.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | trans | -80.5 | 113.5 | 178 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | T131 L135 L214 Q215 I218 G219 P220 | T131-V222 HydrophobicContact CG2-CG1 3.83Å; L135-V222 HydrophobicContact CD2-CG2 4.36Å; L214-V222 HydrophobicContact CB-CG1 3.9Å; L214-V222 HydrophobicContact CB-CG2 4.43Å; Q215-V222 HydrophobicContact CB-CB 4.12Å; Q215-V222 HydrophobicContact CB-CG1 4.45Å; Q215-V222 HydrophobicContact CG-CB 4.38Å; I218-V222 HydrophobicContact CB-CG2 3.96Å; I218-V222 HydrophobicContact CD1-CG2 3.99Å; I218-V222 HydrophobicContact CG2-CG2 4Å; G219-V222 PolarHBondContact O-N 3.17Å; P220-V222 PolarHBondContact O-N 2.87Å | ||
| 223 | H | 93 | Very high | 90.1 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | trans | -102.2 | 161.3 | 174.2 | -66.9 | -74.9 | 0 | 0 | 0 | 111.7 | T131 C132 Q221 | T131-H223 VanDerWaalsContact CA-O 3.25Å; T131-H223 WeakPolarHBondContact CA-O 3.38Å; T131-H223 PolarHBondContact O-N 3.21Å; C132-H223 HydrophobicContact CB-CB 4.43Å; Q221-H223 PolarHBondContact O-CD2 3.06Å; Q221-H223 PolarHBondContact O-N 3.25Å | ||
| 224 | F | 94.7 | Very high | 90 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -107.4 | 92.4 | 172.1 | -179.5 | -102.6 | 0 | 0 | 0 | 108.6 | F129 R208 A211 Y227 | F129-F224 HydrophobicContact CB-CD2 4.09Å; F129-F224 HydrophobicContact CB-CE2 3.74Å; F129-F224 HydrophobicContact CB-CZ 4.43Å; F129-F224 HydrophobicContact CD1-CD2 4.36Å; F129-F224 AromaticContact CD1-CE2 3.83Å; F129-F224 HydrophobicContact CD1-CE2 3.83Å; F129-F224 AromaticContact CD2-CD2 3.62Å; F129-F224 HydrophobicContact CD2-CD2 3.62Å; F129-F224 AromaticContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CE1-CE2 4.37Å; F129-F224 HydrophobicContact CE2-CD2 4.06Å; F129-F224 HydrophobicContact CE2-CE2 4.46Å; F129-F224 AromaticContact CG-CD2 3.78Å; F129-F224 HydrophobicContact CG-CD2 3.78Å; F129-F224 AromaticContact CG-CE2 3.57Å; F129-F224 HydrophobicContact CG-CE2 3.57Å; R208-F224 HydrophobicContact CG-CD1 4.27Å; R208-F224 HydrophobicContact CG-CE1 3.89Å; R208-F224 HydrophobicContact CG-CE2 4.34Å; R208-F224 HydrophobicContact CG-CZ 3.9Å; A211-F224 HydrophobicContact CB-CB 4.06Å; A211-F224 HydrophobicContact CB-CD2 3.67Å; A211-F224 HydrophobicContact CB-CG 4.26Å; F224-Y227 HydrophobicContact CE1-CD2 4.35Å; F224-Y227 HydrophobicContact CE1-CG 4.19Å; F224-Y227 HydrophobicContact CE2-CD2 4.11Å; F224-Y227 AromaticContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CD2 3.45Å; F224-Y227 VanDerWaalsContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CE2 4.32Å; F224-Y227 AromaticContact CZ-CG 3.73Å; F224-Y227 HydrophobicContact CZ-CG 3.73Å | ||
| 225 | A | 94.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 166.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F129 N130 C132 Y227 | F129-A225 WeakPolarHBondContact CB-O 3.37Å; N130-A225 PolarHBondContact N-O 3.16Å; N130-A225 PolarHBondContact O-N 2.6Å; C132-A225 WeakPolarHBondContact SG-CB 2.99Å; A225-Y227 PolarHBondContact O-N 2.87Å |
| 226 | D | 93.1 | Very high | 89.6 | Confident | 105 Ų | 105 | 55 Ų | 55 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 36.1 | 173.3 | -55.9 | -31.4 | 0 | 0 | 0 | 115.3 | N130 R228 | N130-D226 HydrophobicContact CB-CB 4.13Å; D226-R228 PolarHBondContact O-N 3.22Å |
| 227 | Y | 94.3 | Very high | 89.4 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120.7 | 178 | 174.2 | -93.8 | 0 | 0 | 0 | 110.4 | T127 M128 F129 R204 F224 A225 | T127-Y227 HydrophobicContact CG2-CE2 3.7Å; T127-Y227 WeakPolarHBondContact CG2-OH 3.36Å; M128-Y227 CarbonylContact O-C 3.56Å; M128-Y227 WeakPolarHBondContact O-CA 3.19Å; F129-Y227 HydrophobicContact CB-CD2 4.42Å; R204-Y227 VanDerWaalsContact CA-OH 3.28Å; R204-Y227 WeakPolarHBondContact CA-OH 3.47Å; R204-Y227 HydrophobicContact CB-CE1 4.2Å; R204-Y227 HydrophobicContact CB-CE2 4.41Å; R204-Y227 WeakPolarHBondContact CB-OH 3.48Å; R204-Y227 HydrophobicContact CG-CE1 3.98Å; R204-Y227 HydrophobicContact CG-CE2 4.43Å; R204-Y227 PolarHBondContact N-OH 3.31Å; F224-Y227 HydrophobicContact CE1-CD2 4.35Å; F224-Y227 HydrophobicContact CE1-CG 4.19Å; F224-Y227 HydrophobicContact CE2-CD2 4.11Å; F224-Y227 AromaticContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CD2 3.45Å; F224-Y227 VanDerWaalsContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CE2 4.32Å; F224-Y227 AromaticContact CZ-CG 3.73Å; F224-Y227 HydrophobicContact CZ-CG 3.73Å; A225-Y227 PolarHBondContact O-N 2.87Å |
| 228 | R | 92.3 | Very high | 89.2 | Confident | 139 Ų | 139 | 53 Ų | 53 | 53% | 0.525 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.2 | 176 | 63.9 | -175.1 | -179.1 | -160.3 | -4.3 | 112.1 | T127 M128 D226 T230 | T127-R228 CarbonylContact C-O 3.54Å; T127-R228 WeakPolarHBondContact CA-O 3.37Å; M128-R228 HydrophobicContact CB-CG 4.36Å; M128-R228 HydrophobicContact CE-CG 3.98Å; M128-R228 VanDerWaalsContact CE-NH2 3.27Å; M128-R228 PolarHBondContact N-O 3.42Å; M128-R228 PolarHBondContact O-N 2.93Å; M128-R228 PolarHBondContact SD-NE 2.85Å; M128-R228 PolarHBondContact SD-NH2 2.87Å; D226-R228 PolarHBondContact O-N 3.22Å; R228-T230 HydrophobicContact CG-CG2 4.44Å |
| 229 | V | 89.9 | Confident | 89 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.9 | 168.3 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V125 T127 E200 I232 | V125-V229 HydrophobicContact CG1-CG1 3.9Å; T127-V229 HydrophobicContact CG2-CG2 4.21Å; E200-V229 HydrophobicContact CG-CG2 4.03Å; V229-I232 HydrophobicContact CG1-CD1 3.92Å; V229-I232 HydrophobicContact CG1-CG1 3.52Å |
| 230 | T | 88.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -38.6 | -177.6 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | V126 M128 R228 K290 | V126-T230 VanDerWaalsContact CG1-OG1 3.27Å; V126-T230 WeakPolarHBondContact CG1-OG1 3.32Å; V126-T230 PolarHBondContact O-N 2.75Å; V126-T230 PolarHBondContact O-OG1 2.78Å; M128-T230 HydrophobicContact CB-CG2 3.36Å; M128-T230 HydrophobicContact CG-CG2 4.36Å; M128-T230 HydrophobicContact SD-CG2 4.38Å; R228-T230 HydrophobicContact CG-CG2 4.44Å; T230-K290 WeakPolarHBondContact O-CE 3.44Å; T230-K290 WeakPolarHBondContact O-CG 3.48Å |
| 231 | N | 86.5 | Confident | 88.5 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 146.2 | -178.9 | -167.1 | 11.5 | 0 | 0 | 0 | 109 | V126 G288 | V126-N231 HydrophobicContact CB-CB 4.22Å; V126-N231 HydrophobicContact CG2-CB 4.46Å; V126-N231 PolarHBondContact N-O 2.82Å; V126-N231 PolarHBondContact O-N 2.86Å; N231-G288 WeakPolarHBondContact OD1-CA 3.28Å; N231-G288 PolarHBondContact OD1-N 2.83Å |
| 232 | I | 86.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.2 | 169.4 | -51.5 | 170.5 | 0 | 0 | 0 | 107 | Y6 Y7 I122 N124 V125 V229 G288 | Y6-I232 VanDerWaalsContact CB-CD1 3.47Å; Y6-I232 HydrophobicContact CD1-CD1 4.33Å; Y6-I232 HydrophobicContact CG-CD1 3.84Å; Y7-I232 HydrophobicContact CE2-CB 3.9Å; Y7-I232 HydrophobicContact CE2-CD1 4.31Å; Y7-I232 HydrophobicContact CE2-CG2 3.39Å; Y7-I232 VanDerWaalsContact OH-C 3.29Å; Y7-I232 WeakPolarHBondContact OH-CB 3.22Å; Y7-I232 WeakPolarHBondContact OH-CG2 3.04Å; Y7-I232 PolarHBondContact OH-O 3.22Å; Y7-I232 VanDerWaalsContact OH-O 3.06Å; I122-I232 HydrophobicContact CD1-CG2 4.45Å; I122-I232 HydrophobicContact CG2-CG2 3.99Å; N124-I232 WeakPolarHBondContact O-CA 3.46Å; V125-I232 HydrophobicContact CG1-CG1 4.32Å; V125-I232 HydrophobicContact CG2-CG2 4.08Å; V229-I232 HydrophobicContact CG1-CD1 3.92Å; V229-I232 HydrophobicContact CG1-CG1 3.52Å; I232-G288 PolarHBondContact O-N 3.45Å |
| 233 | M | 86.2 | Confident | 87.7 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.4 | 176.1 | -176.1 | -178.2 | -69.8 | 0 | 0 | 108.6 | R123 N124 T285 I286 T287 | R123-M233 PolarHBondContact N-O 2.87Å; N124-M233 HydrophobicContact CB-CB 4.11Å; N124-M233 PolarHBondContact N-O 3.38Å; N124-M233 PolarHBondContact O-N 3.48Å; M233-T285 HydrophobicContact CG-CG2 4.03Å; M233-T285 HydrophobicContact SD-CG2 4.37Å; M233-I286 WeakPolarHBondContact CA-O 3.41Å; M233-T287 HydrophobicContact CE-CG2 3.92Å; M233-T287 HydrophobicContact CG-CG2 4.13Å |
| 234 | A | 86.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y7 L120 R121 I286 | Y7-A234 HydrophobicContact CE2-CB 4.24Å; L120-A234 HydrophobicContact CD2-CB 4.04Å; L120-A234 HydrophobicContact CG-CB 4.28Å; R121-A234 CarbonylContact O-C 3.57Å; R121-A234 VanDerWaalsContact O-CA 3.32Å; R121-A234 WeakPolarHBondContact O-CA 3.47Å; A234-I286 HydrophobicContact CB-CB 4.43Å; A234-I286 PolarHBondContact N-O 2.79Å; A234-I286 PolarHBondContact O-N 2.73Å |
| 235 | T | 87.4 | Confident | 86.9 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.3 | 173.9 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | R121 R123 I284 T285 | R121-T235 PolarHBondContact N-O 2.9Å; R121-T235 PolarHBondContact O-N 2.9Å; R123-T235 HydrophobicContact CG-CG2 3.54Å; R123-T235 WeakPolarHBondContact CG-OG1 3.36Å; R123-T235 PolarHBondContact NE-OG1 3.25Å; T235-I284 CarbonylContact C-O 3.3Å; T235-I284 WeakPolarHBondContact CA-O 3.3Å; T235-T285 HydrophobicContact CG2-CG2 4.41Å |
| 236 | C | 85.6 | Confident | 86.3 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.6 | 177.7 | 157.3 | 0 | 0 | 0 | 0 | 108.1 | I118 I284 | I118-C236 HydrophobicContact CG2-CB 4.37Å; I118-C236 WeakPolarHBondContact CG2-SG 3.22Å; C236-I284 HydrophobicContact CB-CB 4.37Å; C236-I284 PolarHBondContact N-O 3.06Å; C236-I284 PolarHBondContact O-N 3.21Å |
| 237 | K | 84.5 | Confident | 85.7 | Confident | 151 Ų | 151 | 65.1 Ų | 65.1 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.8 | 172.4 | -172.4 | 177.4 | -179.4 | -177.6 | 0 | 109.2 | ||
| 238 | L | 81.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | trans | -85 | 151.2 | 174.1 | -57.2 | 180 | 0 | 0 | 0 | 110.4 | I16 I118 F240 I242 G282 I284 | I16-L238 HydrophobicContact CG2-CD1 4.32Å; I16-L238 HydrophobicContact CG2-CD2 3.66Å; I118-L238 HydrophobicContact CD1-CD2 4.04Å; I118-L238 HydrophobicContact CG1-CD2 4.18Å; I118-L238 HydrophobicContact CG2-CD2 4.27Å; L238-F240 HydrophobicContact CB-CE1 4.46Å; L238-F240 HydrophobicContact CB-CE2 4.42Å; L238-F240 HydrophobicContact CB-CZ 4.32Å; L238-F240 HydrophobicContact CD1-CE2 3.86Å; L238-F240 HydrophobicContact CD1-CZ 3.9Å; L238-F240 PolarHBondContact O-N 3.46Å; L238-I242 HydrophobicContact CD1-CD1 3.61Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; L238-G282 WeakPolarHBondContact CB-O 3.44Å; L238-G282 PolarHBondContact N-O 3.38Å; L238-I284 HydrophobicContact CD1-CD1 3.79Å; L238-I284 HydrophobicContact CG-CD1 4.08Å | ||
| 239 | P | 84.2 | Confident | 84.8 | Confident | 126 Ų | 126 | 62.5 Ų | 62.5 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -77.6 | 0.7 | 178.2 | 31.2 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 240 | F | 83 | Confident | 84.5 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 39% | 0.386 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -135.3 | 158.7 | -178.5 | 54.5 | -99 | 0 | 0 | 0 | 111.8 | V20 L238 I242 G282 | V20-F240 HydrophobicContact CG2-CZ 3.81Å; L238-F240 HydrophobicContact CB-CE1 4.46Å; L238-F240 HydrophobicContact CB-CE2 4.42Å; L238-F240 HydrophobicContact CB-CZ 4.32Å; L238-F240 HydrophobicContact CD1-CE2 3.86Å; L238-F240 HydrophobicContact CD1-CZ 3.9Å; L238-F240 PolarHBondContact O-N 3.46Å; F240-I242 HydrophobicContact CE2-CG1 4.31Å; F240-G282 WeakPolarHBondContact O-CA 3.37Å |
| 241 | A | 83 | Confident | 84.4 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | trans | -78.9 | 148.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A280 | A241-A280 CarbonylContact C-O 3.38Å; A241-A280 VanDerWaalsContact CA-O 3.3Å; A241-A280 WeakPolarHBondContact CA-O 3.4Å; A241-A280 WeakPolarHBondContact CB-O 3.1Å | ||
| 242 | I | 81.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.087 | 35% | 0.354 | C | S | . | . | trans | -108.4 | 129.1 | 179.5 | -62.5 | 170.2 | 0 | 0 | 0 | 109.6 | L238 F240 I244 L247 I278 A280 | L238-I242 HydrophobicContact CD1-CD1 3.61Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; F240-I242 HydrophobicContact CE2-CG1 4.31Å; I242-I244 VanDerWaalsContact C-N 3.31Å; I242-I244 HydrophobicContact CG2-CG1 4.27Å; I242-I244 PolarHBondContact O-N 3.01Å; I242-L247 HydrophobicContact CG2-CD2 4.4Å; I242-I278 HydrophobicContact CB-CG2 4.49Å; I242-I278 HydrophobicContact CD1-CG2 3.47Å; I242-I278 VanDerWaalsContact CD1-CG2 3.47Å; I242-I278 HydrophobicContact CG2-CG2 4.32Å; I242-A280 PolarHBondContact N-O 3.23Å | ||
| 243 | R | 84.8 | Confident | 84.3 | Confident | 178 Ų | 178 | 78.2 Ų | 78.2 | 67% | 0.672 | 39% | 0.393 | S | S | * | . | trans | -76.7 | 81.4 | 170.5 | -65.9 | -177.3 | -177.8 | 179.5 | -0.6 | 110 | N36 R245 Q246 L247 | N36-R243 PolarHBondContact O-NH2 3.19Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.15Å; R243-Q246 HydrophobicContact CB-CB 4.25Å; R243-Q246 PolarHBondContact O-N 2.92Å; R243-L247 PolarHBondContact O-N 3.43Å | ||
| 244 | I | 85.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57 | -40.9 | -174.4 | -70.4 | -177.8 | 0 | 0 | 0 | 113.4 | I242 Q246 L247 A248 Y257 L265 I278 H279 A280 | I242-I244 VanDerWaalsContact C-N 3.31Å; I242-I244 HydrophobicContact CG2-CG1 4.27Å; I242-I244 PolarHBondContact O-N 3.01Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.96Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; I244-A248 PolarHBondContact O-N 3.26Å; I244-Y257 HydrophobicContact CG2-CD1 4.15Å; I244-Y257 HydrophobicContact CG2-CD2 3.43Å; I244-Y257 VanDerWaalsContact CG2-CD2 3.43Å; I244-Y257 HydrophobicContact CG2-CE1 4.22Å; I244-Y257 HydrophobicContact CG2-CE2 3.51Å; I244-Y257 HydrophobicContact CG2-CG 3.76Å; I244-L265 HydrophobicContact CG2-CB 3.45Å; I244-L265 VanDerWaalsContact CG2-CB 3.45Å; I244-L265 HydrophobicContact CG2-CD1 3.75Å; I244-L265 HydrophobicContact CG2-CG 4.27Å; I244-I278 VanDerWaalsContact CD1-O 3.3Å; I244-I278 WeakPolarHBondContact CD1-O 3.49Å; I244-H279 VanDerWaalsContact CD1-C 3.45Å; I244-A280 HydrophobicContact CD1-CB 3.94Å; I244-A280 HydrophobicContact CG1-CB 4.32Å |
| 245 | R | 84.8 | Confident | 84 | Confident | 197 Ų | 197 | 79.1 Ų | 79.1 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | -179 | -68.4 | -176.3 | -173.9 | -176.1 | 0.7 | 111.7 | R243 A248 V249 Y257 | R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.15Å; R245-A248 WeakPolarHBondContact O-CB 3.47Å; R245-A248 PolarHBondContact O-N 3.39Å; R245-V249 WeakPolarHBondContact O-CG2 3.39Å; R245-V249 PolarHBondContact O-N 3.41Å; R245-Y257 HydrophobicContact CG-CE1 3.87Å |
| 246 | Q | 83.2 | Confident | 84.1 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.9 | -169.8 | 61.4 | 44.5 | 0 | 0 | 110.6 | R243 I244 A248 V249 D250 | R243-Q246 HydrophobicContact CB-CB 4.25Å; R243-Q246 PolarHBondContact O-N 2.92Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.96Å; Q246-A248 PolarHBondContact O-N 3.46Å; Q246-V249 PolarHBondContact O-N 2.84Å; Q246-D250 PolarHBondContact NE2-OD1 3.31Å; Q246-D250 PolarHBondContact O-N 3.01Å |
| 247 | L | 80.1 | Confident | 84.3 | Confident | 12 Ų | 12 | 82.1 Ų | 82.1 | 6% | 0.063 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.5 | -35.4 | 177.6 | -172.5 | 71 | 0 | 0 | 0 | 112.7 | L19 I242 R243 I244 F251 L265 W267 I278 | L19-L247 HydrophobicContact CD2-CD1 3.49Å; L19-L247 VanDerWaalsContact CD2-CD1 3.49Å; L19-L247 HydrophobicContact CD2-CD2 3.69Å; L19-L247 HydrophobicContact CD2-CG 4.18Å; I242-L247 HydrophobicContact CG2-CD2 4.4Å; R243-L247 PolarHBondContact O-N 3.43Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; L247-F251 HydrophobicContact CD1-CD2 3.65Å; L247-F251 HydrophobicContact CD1-CE2 3.84Å; L247-F251 HydrophobicContact CG-CD2 4.43Å; L247-F251 PolarHBondContact O-N 3.45Å; L247-F251 VanDerWaalsContact O-N 3.16Å; L247-L265 HydrophobicContact CB-CD1 4.27Å; L247-L265 HydrophobicContact CD2-CD1 4.04Å; L247-L265 HydrophobicContact CD2-CD2 4.15Å; L247-L265 HydrophobicContact CG-CD1 4.23Å; L247-W267 HydrophobicContact CD1-CZ3 4.14Å; L247-W267 HydrophobicContact CD2-CE3 4.44Å; L247-W267 HydrophobicContact CG-CZ3 4.27Å; L247-I278 HydrophobicContact CD2-CD1 4.08Å |
| 248 | A | 82.2 | Confident | 84.5 | Confident | 21 Ų | 21 | 80 Ų | 80 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I244 R245 Q246 S255 Y257 L265 | I244-A248 PolarHBondContact O-N 3.26Å; R245-A248 WeakPolarHBondContact O-CB 3.47Å; R245-A248 PolarHBondContact O-N 3.39Å; Q246-A248 PolarHBondContact O-N 3.46Å; A248-S255 WeakPolarHBondContact CA-OG 3.35Å; A248-Y257 HydrophobicContact CB-CD1 4.47Å; A248-Y257 HydrophobicContact CB-CG 4.46Å; A248-L265 HydrophobicContact CB-CD1 3.95Å |
| 249 | V | 85.4 | Confident | 84.9 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.4 | -40.1 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 111 | R245 Q246 | R245-V249 WeakPolarHBondContact O-CG2 3.39Å; R245-V249 PolarHBondContact O-N 3.41Å; Q246-V249 PolarHBondContact O-N 2.84Å |
| 250 | D | 84.1 | Confident | 85.2 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.3 | -32.2 | -177.4 | -61.9 | -15.7 | 0 | 0 | 0 | 112.3 | Q246 | Q246-D250 PolarHBondContact NE2-OD1 3.31Å; Q246-D250 PolarHBondContact O-N 3.01Å |
| 251 | F | 84.9 | Confident | 85.4 | Confident | 68 Ų | 68 | 88.2 Ų | 88.2 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | trans | -128.7 | 64 | -175.2 | -59.4 | -81.1 | 0 | 0 | 0 | 113 | L247 K253 E254 S255 W267 | L247-F251 HydrophobicContact CD1-CD2 3.65Å; L247-F251 HydrophobicContact CD1-CE2 3.84Å; L247-F251 HydrophobicContact CG-CD2 4.43Å; L247-F251 PolarHBondContact O-N 3.45Å; L247-F251 VanDerWaalsContact O-N 3.16Å; F251-K253 PolarHBondContact O-N 2.81Å; F251-E254 PolarHBondContact O-N 2.7Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 2.81Å; F251-S255 PolarHBondContact O-OG 2.93Å; F251-W267 HydrophobicContact CB-CH2 3.75Å; F251-W267 HydrophobicContact CB-CZ3 3.64Å; F251-W267 AromaticContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CZ3 4.48Å; F251-W267 AromaticContact CD2-CH2 3.92Å; F251-W267 HydrophobicContact CD2-CH2 3.92Å; F251-W267 AromaticContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CE1-CH2 4.42Å; F251-W267 HydrophobicContact CE2-CH2 4.49Å; F251-W267 AromaticContact CG-CH2 3.55Å; F251-W267 HydrophobicContact CG-CH2 3.55Å; F251-W267 AromaticContact CG-CZ3 3.74Å; F251-W267 HydrophobicContact CG-CZ3 3.74Å | ||
| 252 | P | 86.3 | Confident | 85.6 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.7 | -174.8 | 28 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 253 | K | 86.4 | Confident | 85.9 | Confident | 193 Ų | 193 | 90.2 Ų | 90.2 | 84% | 0.839 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -44.6 | -179.9 | -65.8 | -177.8 | -179.8 | 179.4 | 0 | 111.9 | F251 | F251-K253 PolarHBondContact O-N 2.81Š|
| 254 | E | 81.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -23.8 | -176.6 | -59.6 | 85.2 | 172 | 0 | 0 | 112.5 | F251 W267 R268 | F251-E254 PolarHBondContact O-N 2.7Å; E254-W267 HydrophobicContact CB-CD2 4.21Å; E254-W267 HydrophobicContact CB-CH2 4.08Å; E254-W267 HydrophobicContact CB-CZ2 3.74Å; E254-W267 HydrophobicContact CB-CZ3 4.45Å; E254-W267 HydrophobicContact CG-CZ2 4.17Å; E254-W267 CarbonylContact O-C 3.57Å; E254-W267 WeakPolarHBondContact O-CA 3.14Å; E254-R268 PolarHBondContact O-N 3.42Å |
| 255 | S | 85 | Confident | 86.2 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 145.7 | -175.1 | 79.8 | 0 | 0 | 0 | 0 | 113.5 | A248 F251 L266 | A248-S255 WeakPolarHBondContact CA-OG 3.35Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 2.81Å; F251-S255 PolarHBondContact O-OG 2.93Å; S255-L266 CarbonylContact C-O 3.59Å; S255-L266 WeakPolarHBondContact CA-O 3.34Å |
| 256 | S | 88.6 | Confident | 86.4 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 118.1 | 174.1 | 173 | 0 | 0 | 0 | 0 | 107.9 | L266 | S256-L266 PolarHBondContact N-O 2.8Å; S256-L266 PolarHBondContact O-N 3.07Å |
| 257 | Y | 89.3 | Confident | 86.6 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | trans | -125.8 | 99.4 | -177.1 | -179.1 | -119.1 | 0 | 0 | 0 | 110.3 | I244 R245 A248 P259 L265 | I244-Y257 HydrophobicContact CG2-CD1 4.15Å; I244-Y257 HydrophobicContact CG2-CD2 3.43Å; I244-Y257 VanDerWaalsContact CG2-CD2 3.43Å; I244-Y257 HydrophobicContact CG2-CE1 4.22Å; I244-Y257 HydrophobicContact CG2-CE2 3.51Å; I244-Y257 HydrophobicContact CG2-CG 3.76Å; R245-Y257 HydrophobicContact CG-CE1 3.87Å; A248-Y257 HydrophobicContact CB-CD1 4.47Å; A248-Y257 HydrophobicContact CB-CG 4.46Å; Y257-P259 HydrophobicContact CE1-CB 4.36Å; Y257-P259 HydrophobicContact CE1-CG 4.19Å; Y257-P259 HydrophobicContact CE2-CB 4.39Å; Y257-P259 WeakPolarHBondContact O-CD 3.32Å; Y257-L265 HydrophobicContact CD2-CB 3.95Å; Y257-L265 HydrophobicContact CG-CB 4.44Å | ||
| 258 | E | 90.4 | Very high | 86.8 | Confident | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | trans | -116.6 | 87.9 | 177.6 | -65.5 | -61.3 | 156.3 | 0 | 0 | 108 | E260 L261 S262 | E258-E260 PolarHBondContact O-N 3.23Å; E258-L261 HydrophobicContact CB-CB 4.01Å; E258-L261 HydrophobicContact CB-CD1 3.99Å; E258-L261 HydrophobicContact CB-CG 4.12Å; E258-L261 HydrophobicContact CG-CD1 4.28Å; E258-L261 PolarHBondContact O-N 3.17Å; E258-S262 PolarHBondContact O-N 3.23Å | ||
| 259 | P | 89.2 | Confident | 86.5 | Confident | 67 Ų | 67 | 75.7 Ų | 75.7 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.8 | -174.8 | 22.5 | -32.5 | 0 | 0 | 0 | 113.1 | Y257 L261 | Y257-P259 HydrophobicContact CE1-CB 4.36Å; Y257-P259 HydrophobicContact CE1-CG 4.19Å; Y257-P259 HydrophobicContact CE2-CB 4.39Å; Y257-P259 WeakPolarHBondContact O-CD 3.32Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 3.3Å |
| 260 | E | 89.9 | Confident | 86.1 | Confident | 176 Ų | 176 | 79 Ų | 79 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.6 | 175.8 | -57.6 | -56.7 | 155.9 | 0 | 0 | 113 | E258 | E258-E260 PolarHBondContact O-N 3.23Š|
| 261 | L | 88.7 | Confident | 85.5 | Confident | 151 Ų | 151 | 83.2 Ų | 83.2 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -32.9 | 179.3 | -61.5 | 179.5 | 0 | 0 | 0 | 112.6 | E258 P259 | E258-L261 HydrophobicContact CB-CB 4.01Å; E258-L261 HydrophobicContact CB-CD1 3.99Å; E258-L261 HydrophobicContact CB-CG 4.12Å; E258-L261 HydrophobicContact CG-CD1 4.28Å; E258-L261 PolarHBondContact O-N 3.17Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 3.3Å |
| 262 | S | 86.7 | Confident | 85 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -152.6 | 129.2 | -173.3 | 164 | 0 | 0 | 0 | 0 | 111.9 | E258 G264 R277 | E258-S262 PolarHBondContact O-N 3.23Å; S262-G264 PolarHBondContact O-N 2.92Å; S262-G264 PolarHBondContact OG-N 3.19Å; S262-G264 PolarHBondContact OG-O 2.85Å; S262-R277 PolarHBondContact OG-NE 2.93Å; S262-R277 PolarHBondContact OG-NH2 2.98Å | ||
| 263 | V | 88.4 | Confident | 84.5 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 67% | 0.667 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -61.4 | -10.4 | 174 | -62 | 0 | 0 | 0 | 0 | 115.5 | ||
| 264 | G | 87.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -130.4 | 151.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S262 I278 | S262-G264 PolarHBondContact O-N 2.92Å; S262-G264 PolarHBondContact OG-N 3.19Å; S262-G264 PolarHBondContact OG-O 2.85Å; G264-I278 CarbonylContact C-O 3.56Å; G264-I278 WeakPolarHBondContact CA-O 3.34Å |
| 265 | L | 87.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.4 | 175.7 | 172 | 157 | 0 | 0 | 0 | 110.3 | I244 L247 A248 Y257 W267 R277 I278 | I244-L265 HydrophobicContact CG2-CB 3.45Å; I244-L265 VanDerWaalsContact CG2-CB 3.45Å; I244-L265 HydrophobicContact CG2-CD1 3.75Å; I244-L265 HydrophobicContact CG2-CG 4.27Å; L247-L265 HydrophobicContact CB-CD1 4.27Å; L247-L265 HydrophobicContact CD2-CD1 4.04Å; L247-L265 HydrophobicContact CD2-CD2 4.15Å; L247-L265 HydrophobicContact CG-CD1 4.23Å; A248-L265 HydrophobicContact CB-CD1 3.95Å; Y257-L265 HydrophobicContact CD2-CB 3.95Å; Y257-L265 HydrophobicContact CG-CB 4.44Å; L265-W267 HydrophobicContact CD2-CB 3.99Å; L265-W267 HydrophobicContact CD2-CE3 4.3Å; L265-R277 CarbonylContact O-C 3.53Å; L265-R277 WeakPolarHBondContact O-CA 3.47Å; L265-I278 HydrophobicContact CD2-CB 4.46Å; L265-I278 HydrophobicContact CD2-CD1 4.01Å; L265-I278 PolarHBondContact N-O 2.73Å; L265-I278 PolarHBondContact O-N 2.92Å |
| 266 | L | 89.3 | Confident | 84.5 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.5 | 175.9 | -166.3 | 72.7 | 0 | 0 | 0 | 108.9 | S255 S256 T275 | S255-L266 CarbonylContact C-O 3.59Å; S255-L266 WeakPolarHBondContact CA-O 3.34Å; S256-L266 PolarHBondContact N-O 2.8Å; S256-L266 PolarHBondContact O-N 3.07Å; L266-T275 HydrophobicContact CD1-CG2 3.23Å; L266-T275 HydrophobicContact CD2-CG2 4.36Å; L266-T275 HydrophobicContact CG-CG2 3.77Å |
| 267 | W | 86.6 | Confident | 84.6 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.5 | 174.8 | -177.1 | -72.9 | 0 | 0 | 0 | 109.7 | L19 L247 F251 E254 L265 T275 L276 I278 | L19-W267 HydrophobicContact CD2-CE3 4.09Å; L19-W267 HydrophobicContact CD2-CH2 4.27Å; L19-W267 HydrophobicContact CD2-CZ3 3.89Å; L247-W267 HydrophobicContact CD1-CZ3 4.14Å; L247-W267 HydrophobicContact CD2-CE3 4.44Å; L247-W267 HydrophobicContact CG-CZ3 4.27Å; F251-W267 HydrophobicContact CB-CH2 3.75Å; F251-W267 HydrophobicContact CB-CZ3 3.64Å; F251-W267 AromaticContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CZ3 4.48Å; F251-W267 AromaticContact CD2-CH2 3.92Å; F251-W267 HydrophobicContact CD2-CH2 3.92Å; F251-W267 AromaticContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CE1-CH2 4.42Å; F251-W267 HydrophobicContact CE2-CH2 4.49Å; F251-W267 AromaticContact CG-CH2 3.55Å; F251-W267 HydrophobicContact CG-CH2 3.55Å; F251-W267 AromaticContact CG-CZ3 3.74Å; F251-W267 HydrophobicContact CG-CZ3 3.74Å; E254-W267 HydrophobicContact CB-CD2 4.21Å; E254-W267 HydrophobicContact CB-CH2 4.08Å; E254-W267 HydrophobicContact CB-CZ2 3.74Å; E254-W267 HydrophobicContact CB-CZ3 4.45Å; E254-W267 HydrophobicContact CG-CZ2 4.17Å; E254-W267 CarbonylContact O-C 3.57Å; E254-W267 WeakPolarHBondContact O-CA 3.14Å; L265-W267 HydrophobicContact CD2-CB 3.99Å; L265-W267 HydrophobicContact CD2-CE3 4.3Å; W267-T275 CarbonylContact O-C 3.51Å; W267-T275 WeakPolarHBondContact O-CA 3.43Å; W267-L276 HydrophobicContact CB-CB 4.14Å; W267-L276 PolarHBondContact N-O 3.37Å; W267-L276 PolarHBondContact O-N 3.3Å; W267-I278 HydrophobicContact CB-CD1 4.05Å |
| 268 | R | 84.2 | Confident | 84.5 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.7 | 177.1 | -64.7 | -174.8 | -179.3 | 97.2 | -4.9 | 109 | E254 | E254-R268 PolarHBondContact O-N 3.42Å |
| 269 | S | 77.4 | Confident | 84.5 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.8 | 170.7 | 169 | 0 | 0 | 0 | 0 | 109 | P272 K273 A274 | S269-P272 CarbonylContact C-O 3.53Å; S269-P272 VanDerWaalsContact O-O 3.08Å; S269-P272 PolarHBondContact OG-O 2.85Å; S269-K273 WeakPolarHBondContact O-CA 3.3Å; S269-A274 PolarHBondContact N-O 3.31Å; S269-A274 PolarHBondContact O-N 3.34Å; S269-A274 VanDerWaalsContact O-N 3.16Å |
| 270 | E | 76 | Confident | 84.3 | Confident | 174 Ų | 174 | 70.8 Ų | 70.8 | 81% | 0.813 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -38.6 | 176.5 | -63 | -170.6 | 162.7 | 0 | 0 | 112.2 | P272 K273 | E270-P272 CarbonylContact O-C 3.59Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.14Å |
| 271 | Q | 72.2 | Confident | 84.3 | Confident | 177 Ų | 177 | 67 Ų | 67 | 83% | 0.827 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 103.1 | -176.6 | -64.8 | -173.2 | 6.7 | 0 | 0 | 111.7 | ||
| 272 | P | 73.2 | Confident | 83.9 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -69.7 | 154.6 | -5.5 | 31.2 | -35.2 | 0 | 0 | 0 | 111.8 | S269 E270 A274 F291 | S269-P272 CarbonylContact C-O 3.53Å; S269-P272 VanDerWaalsContact O-O 3.08Å; S269-P272 PolarHBondContact OG-O 2.85Å; E270-P272 CarbonylContact O-C 3.59Å; P272-A274 PolarHBondContact O-N 3.35Å; P272-F291 HydrophobicContact CB-CZ 4.42Å |
| 273 | K | 76.3 | Confident | 84 | Confident | 175 Ų | 175 | 60.4 Ų | 60.4 | 76% | 0.761 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 96.5 | 174.2 | -171.8 | 171.1 | -176.4 | 168 | 0 | 109.9 | S269 E270 G289 | S269-K273 WeakPolarHBondContact O-CA 3.3Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.14Å; K273-G289 PolarHBondContact O-N 3.04Å |
| 274 | A | 81.5 | Confident | 84 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 148.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S269 P272 L276 | S269-A274 PolarHBondContact N-O 3.31Å; S269-A274 PolarHBondContact O-N 3.34Å; S269-A274 VanDerWaalsContact O-N 3.16Å; P272-A274 PolarHBondContact O-N 3.35Å; A274-L276 HydrophobicContact CB-CD1 4.35Å |
| 275 | T | 83.7 | Confident | 84.1 | Confident | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.8 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 108.3 | L266 W267 T287 | L266-T275 HydrophobicContact CD1-CG2 3.23Å; L266-T275 HydrophobicContact CD2-CG2 4.36Å; L266-T275 HydrophobicContact CG-CG2 3.77Å; W267-T275 CarbonylContact O-C 3.51Å; W267-T275 WeakPolarHBondContact O-CA 3.43Å; T275-T287 PolarHBondContact N-O 2.92Å; T275-T287 PolarHBondContact O-N 3.06Å; T275-T287 PolarHBondContact O-OG1 3.26Å; T275-T287 VanDerWaalsContact O-OG1 3.09Å |
| 276 | L | 87.4 | Confident | 84 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.9 | 177.4 | -66.6 | 76 | 0 | 0 | 0 | 108.3 | W267 A274 I284 T285 I286 | W267-L276 HydrophobicContact CB-CB 4.14Å; W267-L276 PolarHBondContact N-O 3.37Å; W267-L276 PolarHBondContact O-N 3.3Å; A274-L276 HydrophobicContact CB-CD1 4.35Å; L276-I284 HydrophobicContact CB-CG2 4.28Å; L276-I284 HydrophobicContact CD2-CG2 4.22Å; L276-T285 CarbonylContact C-O 3.42Å; L276-T285 WeakPolarHBondContact CA-O 3.37Å; L276-I286 HydrophobicContact CD2-CG1 4.35Å; L276-I286 HydrophobicContact CG-CG1 4.1Å; L276-I286 HydrophobicContact CG-CG2 4.29Å |
| 277 | R | 89.9 | Confident | 83.8 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113.1 | 170.5 | -170.5 | 178.8 | -168.5 | 174.7 | 2 | 108.3 | S262 L265 I284 T285 | S262-R277 PolarHBondContact OG-NE 2.93Å; S262-R277 PolarHBondContact OG-NH2 2.98Å; L265-R277 CarbonylContact O-C 3.53Å; L265-R277 WeakPolarHBondContact O-CA 3.47Å; R277-I284 CarbonylContact O-C 3.55Å; R277-I284 WeakPolarHBondContact O-CA 3.45Å; R277-T285 PolarHBondContact N-O 3.31Å; R277-T285 PolarHBondContact O-N 2.76Å |
| 278 | I | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.2 | -174.4 | -60.9 | 166.5 | 0 | 0 | 0 | 108.7 | L19 I242 I244 L247 G264 L265 W267 I284 | L19-I278 HydrophobicContact CD1-CD1 3.61Å; L19-I278 HydrophobicContact CD2-CD1 4.33Å; I242-I278 HydrophobicContact CB-CG2 4.49Å; I242-I278 HydrophobicContact CD1-CG2 3.47Å; I242-I278 VanDerWaalsContact CD1-CG2 3.47Å; I242-I278 HydrophobicContact CG2-CG2 4.32Å; I244-I278 VanDerWaalsContact CD1-O 3.3Å; I244-I278 WeakPolarHBondContact CD1-O 3.49Å; L247-I278 HydrophobicContact CD2-CD1 4.08Å; G264-I278 CarbonylContact C-O 3.56Å; G264-I278 WeakPolarHBondContact CA-O 3.34Å; L265-I278 HydrophobicContact CD2-CB 4.46Å; L265-I278 HydrophobicContact CD2-CD1 4.01Å; L265-I278 PolarHBondContact N-O 2.73Å; L265-I278 PolarHBondContact O-N 2.92Å; W267-I278 HydrophobicContact CB-CD1 4.05Å; I278-I284 HydrophobicContact CG1-CD1 4.47Å; I278-I284 HydrophobicContact CG1-CG1 4.27Å; I278-I284 HydrophobicContact CG1-CG2 4.3Å; I278-I284 HydrophobicContact CG2-CG1 4.49Å |
| 279 | H | 89.5 | Confident | 82.1 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 18% | 0.181 | 27% | 0.273 | C | S | . | . | trans | -106.9 | 149.4 | 176.1 | -63.3 | -89.4 | 0 | 0 | 0 | 111 | I244 T281 G282 S283 | I244-H279 VanDerWaalsContact CD1-C 3.45Å; H279-T281 PolarHBondContact O-N 2.77Å; H279-T281 VanDerWaalsContact O-N 3.07Å; H279-G282 PolarHBondContact O-N 3.26Å; H279-S283 WeakPolarHBondContact CB-O 3.29Å; H279-S283 PolarHBondContact CD2-O 3.38Å; H279-S283 PolarHBondContact N-O 3.09Å | ||
| 280 | A | 86.3 | Confident | 81 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A241 I242 I244 G282 | A241-A280 CarbonylContact C-O 3.38Å; A241-A280 VanDerWaalsContact CA-O 3.3Å; A241-A280 WeakPolarHBondContact CA-O 3.4Å; A241-A280 WeakPolarHBondContact CB-O 3.1Å; I242-A280 PolarHBondContact N-O 3.23Å; I244-A280 HydrophobicContact CD1-CB 3.94Å; I244-A280 HydrophobicContact CG1-CB 4.32Å; A280-G282 PolarHBondContact O-N 3.27Å |
| 281 | T | 88.5 | Confident | 79.9 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -3.9 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | H279 S283 | H279-T281 PolarHBondContact O-N 2.77Å; H279-T281 VanDerWaalsContact O-N 3.07Å; T281-S283 VanDerWaalsContact C-N 3.33Å; T281-S283 PolarHBondContact OG1-OG 3.46Å |
| 282 | G | 82.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 84.2 | 4.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L238 F240 H279 A280 | L238-G282 WeakPolarHBondContact CB-O 3.44Å; L238-G282 PolarHBondContact N-O 3.38Å; F240-G282 WeakPolarHBondContact O-CA 3.37Å; H279-G282 PolarHBondContact O-N 3.26Å; A280-G282 PolarHBondContact O-N 3.27Å |
| 283 | S | 87.9 | Confident | 76.6 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.4 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | H279 T281 | H279-S283 WeakPolarHBondContact CB-O 3.29Å; H279-S283 PolarHBondContact CD2-O 3.38Å; H279-S283 PolarHBondContact N-O 3.09Å; T281-S283 VanDerWaalsContact C-N 3.33Å; T281-S283 PolarHBondContact OG1-OG 3.46Å |
| 284 | I | 88.6 | Confident | 76.6 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.5 | -178.2 | -56.5 | 178.2 | 0 | 0 | 0 | 109.1 | I16 T235 C236 L238 L276 R277 I278 I286 | I16-I284 HydrophobicContact CG1-CD1 4.41Å; T235-I284 CarbonylContact C-O 3.3Å; T235-I284 WeakPolarHBondContact CA-O 3.3Å; C236-I284 HydrophobicContact CB-CB 4.37Å; C236-I284 PolarHBondContact N-O 3.06Å; C236-I284 PolarHBondContact O-N 3.21Å; L238-I284 HydrophobicContact CD1-CD1 3.79Å; L238-I284 HydrophobicContact CG-CD1 4.08Å; L276-I284 HydrophobicContact CB-CG2 4.28Å; L276-I284 HydrophobicContact CD2-CG2 4.22Å; R277-I284 CarbonylContact O-C 3.55Å; R277-I284 WeakPolarHBondContact O-CA 3.45Å; I278-I284 HydrophobicContact CG1-CD1 4.47Å; I278-I284 HydrophobicContact CG1-CG1 4.27Å; I278-I284 HydrophobicContact CG1-CG2 4.3Å; I278-I284 HydrophobicContact CG2-CG1 4.49Å; I284-I286 HydrophobicContact CG2-CG1 4.05Å |
| 285 | T | 89.3 | Confident | 76.3 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.7 | 170.4 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | M233 T235 L276 R277 T287 | M233-T285 HydrophobicContact CG-CG2 4.03Å; M233-T285 HydrophobicContact SD-CG2 4.37Å; T235-T285 HydrophobicContact CG2-CG2 4.41Å; L276-T285 CarbonylContact C-O 3.42Å; L276-T285 WeakPolarHBondContact CA-O 3.37Å; R277-T285 PolarHBondContact N-O 3.31Å; R277-T285 PolarHBondContact O-N 2.76Å; T285-T287 HydrophobicContact CG2-CG2 4.25Å |
| 286 | I | 85.4 | Confident | 75.9 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125 | -179.7 | -49.5 | 179.9 | 0 | 0 | 0 | 107.2 | I12 L120 M233 A234 L276 I284 | I12-I286 HydrophobicContact CD1-CD1 4Å; I12-I286 HydrophobicContact CG1-CD1 4.49Å; I12-I286 HydrophobicContact CG2-CD1 3.57Å; L120-I286 HydrophobicContact CD1-CD1 4.2Å; M233-I286 WeakPolarHBondContact CA-O 3.41Å; A234-I286 HydrophobicContact CB-CB 4.43Å; A234-I286 PolarHBondContact N-O 2.79Å; A234-I286 PolarHBondContact O-N 2.73Å; L276-I286 HydrophobicContact CD2-CG1 4.35Å; L276-I286 HydrophobicContact CG-CG1 4.1Å; L276-I286 HydrophobicContact CG-CG2 4.29Å; I284-I286 HydrophobicContact CG2-CG1 4.05Å |
| 287 | T | 84.9 | Confident | 75.2 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.7 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | M233 T275 T285 | M233-T287 HydrophobicContact CE-CG2 3.92Å; M233-T287 HydrophobicContact CG-CG2 4.13Å; T275-T287 PolarHBondContact N-O 2.92Å; T275-T287 PolarHBondContact O-N 3.06Å; T275-T287 PolarHBondContact O-OG1 3.26Å; T275-T287 VanDerWaalsContact O-OG1 3.09Å; T285-T287 HydrophobicContact CG2-CG2 4.25Å |
| 288 | G | 74.8 | Confident | 74.3 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.4 | -166.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y7 N231 I232 | Y7-G288 PolarHBondContact OH-O 2.86Å; N231-G288 WeakPolarHBondContact OD1-CA 3.28Å; N231-G288 PolarHBondContact OD1-N 2.83Å; I232-G288 PolarHBondContact O-N 3.45Å |
| 289 | G | 60.4 | Low | 73.4 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | trans | 102.5 | 32.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K273 F291 | K273-G289 PolarHBondContact O-N 3.04Å; G289-F291 WeakPolarHBondContact O-CD2 3.4Å; G289-F291 PolarHBondContact O-N 3.47Å | ||
| 290 | K | 55.5 | Low | 72.3 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | trans | -65.5 | 107.1 | 159.1 | -75.9 | -171.1 | -179.7 | 180 | 0 | 107.1 | T230 | T230-K290 WeakPolarHBondContact O-CE 3.44Å; T230-K290 WeakPolarHBondContact O-CG 3.48Å | ||
| 291 | F | 52 | Low | 71.2 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 40% | 0.395 | 37% | 0.365 | S | S | . | . | trans | -77.9 | 125.9 | 159.9 | -70.6 | -92.9 | 0 | 0 | 0 | 106.4 | Y6 P272 G289 T293 | Y6-F291 WeakPolarHBondContact O-CE2 2.77Å; P272-F291 HydrophobicContact CB-CZ 4.42Å; G289-F291 WeakPolarHBondContact O-CD2 3.4Å; G289-F291 PolarHBondContact O-N 3.47Å; F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 3.29Å | ||
| 292 | H | 43.7 | Very low | 69.7 | Low | 195 Ų | 195 | 64.1 Ų | 64.1 | 90% | 0.903 | 35% | 0.346 | S | S | * | . | trans | -62.8 | 102.9 | 152.5 | -102.8 | -83.6 | 0 | 0 | 0 | 105 | ||||
| 293 | T | 32 | Very low | 68.6 | Low | 191 Ų | 191 | 69.9 Ų | 69.9 | 100% | 1.172 | 38% | 0.377 | S | S | * | . | trans | -74.1 | 0 | 145.8 | -47.8 | 0 | 0 | 0 | 0 | 106.3 | F291 | F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 3.29Å |
Retrieved 293 of 293 residues in 769.9 ms
(Link to these results)