| 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 | I | 24.4 | Very low | 27.5 | Very low | 216 Ų | 216 | 114.4 Ų | 114.4 | 100% | 1.108 | 68% | 0.675 | S | S | * | * | 0 | 101.8 | 0 | -54.7 | 169.2 | 0 | 0 | 0 | 106.2 | |||||
| 2 | P | 25.5 | Very low | 28.5 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 135.4 | 173.7 | -3.9 | 21.6 | 0 | 0 | 0 | 108.3 | ||
| 3 | A | 22.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 109.2 Ų | 109.2 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V5 | A3-V5 PolarHBondContact O-N 3.44Š|
| 4 | L | 22.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 108.1 Ų | 108.1 | 83% | 0.827 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 117 | 168.9 | -91.9 | 132.4 | 0 | 0 | 0 | 109.3 | ||
| 5 | V | 25.9 | Very low | 32.1 | Very low | 102 Ų | 102 | 103.7 Ų | 103.7 | 62% | 0.618 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 134.4 | 168.2 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | A3 Q31 | A3-V5 PolarHBondContact O-N 3.44Å; V5-Q31 WeakPolarHBondContact O-CG 3.43Å; V5-Q31 PolarHBondContact O-OE1 3Å |
| 6 | Q | 25.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 102.9 Ų | 102.9 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | trans | -109 | 116.7 | -173.4 | -66 | -89.1 | -49.7 | 0 | 0 | 112.2 | Q31 | Q6-Q31 PolarHBondContact O-OE1 3.37Š| ||
| 7 | V | 28.8 | Very low | 33.6 | Very low | 55 Ų | 55 | 100.8 Ų | 100.8 | 33% | 0.333 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -97.6 | 121 | -171.7 | -67 | 0 | 0 | 0 | 0 | 111.7 | S11 Q31 | V7-S11 WeakPolarHBondContact CB-OG 3.39Å; V7-S11 WeakPolarHBondContact CG1-OG 3.24Å; V7-Q31 HydrophobicContact CB-CB 3.8Å; V7-Q31 VanDerWaalsContact CB-CD 3.49Å; V7-Q31 HydrophobicContact CB-CG 4.05Å; V7-Q31 VanDerWaalsContact CG1-OE1 3.24Å; V7-Q31 HydrophobicContact CG2-CB 3.61Å; V7-Q31 HydrophobicContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact N-CD 3.34Å |
| 8 | Q | 28.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 102.9 Ų | 102.9 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 144.3 | 160.6 | -121.4 | 167.7 | -46.7 | 0 | 0 | 111.9 | G10 S11 | Q8-G10 PolarHBondContact O-N 2.97Å; Q8-S11 PolarHBondContact O-N 3.46Å; Q8-S11 PolarHBondContact O-OG 3.39Å |
| 9 | T | 28.9 | Very low | 34.5 | Very low | 87 Ų | 87 | 102.5 Ų | 102.5 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.8 | 127.7 | 168.1 | -28.8 | 0 | 0 | 0 | 0 | 110 | K90 | T9-K90 HydrophobicContact CG2-CD 4.15Š|
| 10 | G | 36 | Very low | 35.4 | Very low | 69 Ų | 69 | 102.6 Ų | 102.6 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104 | 4.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q8 | Q8-G10 PolarHBondContact O-N 2.97Š|
| 11 | S | 34.2 | Very low | 36.2 | Very low | 31 Ų | 31 | 102.9 Ų | 102.9 | 22% | 0.217 | 60% | 0.597 | C | S | . | * | trans | -76.2 | 149.7 | 177.7 | -60 | 0 | 0 | 0 | 0 | 113.4 | V7 Q8 N91 | V7-S11 WeakPolarHBondContact CB-OG 3.39Å; V7-S11 WeakPolarHBondContact CG1-OG 3.24Å; Q8-S11 PolarHBondContact O-N 3.46Å; Q8-S11 PolarHBondContact O-OG 3.39Å; S11-N91 PolarHBondContact O-ND2 2.83Å | ||
| 12 | E | 39.2 | Very low | 37.7 | Very low | 154 Ų | 154 | 95.5 Ų | 95.5 | 72% | 0.72 | 57% | 0.568 | S | S | * | * | trans | -65.6 | 133.3 | 176.9 | -172.1 | 176.1 | -168.8 | 0 | 0 | 111.5 | V14 | E12-V14 PolarHBondContact O-N 3.29Š| ||
| 13 | I | 44.3 | Very low | 39.1 | Very low | 7 Ų | 7 | 92.1 Ų | 92.1 | 4% | 0.036 | 55% | 0.545 | C | S | . | . | trans | -81.9 | 107.8 | 172.5 | -58.8 | 174.7 | 0 | 0 | 0 | 107.4 | F15 W28 V80 N91 Q93 | I13-F15 HydrophobicContact CG2-CD1 4.29Å; I13-F15 HydrophobicContact CG2-CE1 3.84Å; I13-F15 HydrophobicContact CG2-CZ 4.27Å; I13-W28 HydrophobicContact CG2-CB 3.89Å; I13-V80 HydrophobicContact CD1-CG2 3.87Å; I13-N91 HydrophobicContact CD1-CB 4.39Å; I13-Q93 HydrophobicContact CB-CB 4.07Å; I13-Q93 HydrophobicContact CD1-CB 4.13Å; I13-Q93 HydrophobicContact CG2-CB 4.42Å | ||
| 14 | V | 44.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 88 Ų | 88 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | trans | -90.2 | 122.4 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | E12 | E12-V14 PolarHBondContact O-N 3.29Š| ||
| 15 | F | 49.8 | Very low | 42.4 | Very low | 42 Ų | 42 | 81.5 Ų | 81.5 | 18% | 0.184 | 48% | 0.479 | C | S | . | . | trans | -92.1 | 139.5 | 173.2 | -58.2 | -60.5 | 0 | 0 | 0 | 111.7 | I13 M26 S27 W28 V78 Q93 V95 | I13-F15 HydrophobicContact CG2-CD1 4.29Å; I13-F15 HydrophobicContact CG2-CE1 3.84Å; I13-F15 HydrophobicContact CG2-CZ 4.27Å; F15-M26 HydrophobicContact CD1-CG 3.89Å; F15-M26 HydrophobicContact CD1-SD 3.83Å; F15-M26 HydrophobicContact CE1-CG 4.37Å; F15-M26 HydrophobicContact CE1-SD 3.78Å; F15-M26 HydrophobicContact CZ-SD 4.37Å; F15-S27 WeakPolarHBondContact CA-O 3.48Å; F15-W28 HydrophobicContact CD1-CB 4.44Å; F15-V78 HydrophobicContact CE1-CB 4.39Å; F15-V78 HydrophobicContact CE1-CG2 3.83Å; F15-V78 HydrophobicContact CZ-CG2 4.36Å; F15-Q93 HydrophobicContact CD2-CG 4.05Å; F15-Q93 HydrophobicContact CE2-CB 3.91Å; F15-Q93 HydrophobicContact CE2-CG 3.09Å; F15-Q93 HydrophobicContact CZ-CB 3.61Å; F15-Q93 HydrophobicContact CZ-CG 3.37Å; F15-V95 HydrophobicContact CD2-CB 4.27Å; F15-V95 HydrophobicContact CE2-CB 4.08Å | ||
| 16 | T | 44.9 | Very low | 44.1 | Very low | 90 Ų | 90 | 76.7 Ų | 76.7 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.8 | 157.8 | -54.5 | 0 | 0 | 0 | 0 | 108.1 | S27 | T16-S27 PolarHBondContact N-O 3.34Å; T16-S27 PolarHBondContact O-N 2.86Å; T16-S27 PolarHBondContact O-OG 2.9Å |
| 17 | V | 45.1 | Very low | 45.8 | Very low | 67 Ų | 67 | 71.1 Ų | 71.1 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.1 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | V19 F24 S25 V95 | V17-V19 HydrophobicContact CG1-CG2 3.86Å; V17-F24 HydrophobicContact CG1-CD2 4.27Å; V17-F24 HydrophobicContact CG1-CE2 3.59Å; V17-F24 HydrophobicContact CG1-CZ 4.45Å; V17-S25 WeakPolarHBondContact CA-O 3.4Å; V17-V95 HydrophobicContact CG2-CG2 4.12Å |
| 18 | K | 42.2 | Very low | 47.5 | Very low | 139 Ų | 139 | 69.1 Ų | 69.1 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.8 | 167.7 | -171.6 | -179.4 | 178.6 | -173.9 | 0 | 108.1 | S25 | K18-S25 PolarHBondContact N-O 3.3Å; K18-S25 VanDerWaalsContact N-O 3.16Å; K18-S25 PolarHBondContact O-N 3.45Å; K18-S25 VanDerWaalsContact O-N 3.17Å; K18-S25 PolarHBondContact O-OG 2.93Å |
| 19 | V | 42.7 | Very low | 49 | Very low | 96 Ų | 96 | 64.3 Ų | 64.3 | 58% | 0.582 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.5 | 172 | -169.8 | 0 | 0 | 0 | 0 | 107 | V17 F24 | V17-V19 HydrophobicContact CG1-CG2 3.86Å; V19-F24 HydrophobicContact CG2-CD2 4.14Å |
| 20 | D | 51.5 | Low | 50.5 | Low | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 158.6 | 164.4 | -162.7 | -15.2 | 0 | 0 | 0 | 107.4 | A22 V23 | D20-A22 PolarHBondContact O-N 3.28Å; D20-V23 PolarHBondContact N-O 2.88Å; D20-V23 PolarHBondContact O-N 3.33Å; D20-V23 VanDerWaalsContact O-N 3.15Å |
| 21 | A | 52.3 | Low | 51.4 | Low | 109 Ų | 109 | 60.9 Ų | 60.9 | 90% | 0.901 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -12.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 22 | A | 56.4 | Low | 52.5 | Low | 60 Ų | 60 | 61.7 Ų | 61.7 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -18.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D20 A67 | D20-A22 PolarHBondContact O-N 3.28Å; A22-A67 PolarHBondContact O-N 2.84Å |
| 23 | V | 54.3 | Low | 53.1 | Low | 58 Ų | 58 | 57.7 Ų | 57.7 | 35% | 0.352 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 125.6 | -171.7 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | D20 Q64 | D20-V23 PolarHBondContact N-O 2.88Å; D20-V23 PolarHBondContact O-N 3.33Å; D20-V23 VanDerWaalsContact O-N 3.15Å; V23-Q64 HydrophobicContact CG1-CB 4.48Å |
| 24 | F | 60.6 | Low | 53.8 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.1 | 162.2 | 173.1 | -105.9 | 0 | 0 | 0 | 109.1 | V17 V19 M26 L63 Q64 I65 L97 | V17-F24 HydrophobicContact CG1-CD2 4.27Å; V17-F24 HydrophobicContact CG1-CE2 3.59Å; V17-F24 HydrophobicContact CG1-CZ 4.45Å; V19-F24 HydrophobicContact CG2-CD2 4.14Å; F24-M26 HydrophobicContact CE1-CB 4.1Å; F24-M26 HydrophobicContact CZ-CB 4.11Å; F24-L63 HydrophobicContact CD1-CD2 3.83Å; F24-L63 HydrophobicContact CE1-CD2 3.66Å; F24-Q64 VanDerWaalsContact O-CA 3.29Å; F24-Q64 WeakPolarHBondContact O-CA 3.25Å; F24-I65 HydrophobicContact CB-CB 4.38Å; F24-I65 HydrophobicContact CD1-CD1 4.11Å; F24-I65 HydrophobicContact CD1-CG1 4.43Å; F24-I65 PolarHBondContact N-O 3.37Å; F24-I65 PolarHBondContact O-N 2.98Å; F24-L97 HydrophobicContact CB-CD2 4.5Å; F24-L97 HydrophobicContact CD1-CD2 3.92Å; F24-L97 HydrophobicContact CD2-CD1 3.42Å; F24-L97 VanDerWaalsContact CD2-CD1 3.42Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CD2-CG 4.38Å; F24-L97 HydrophobicContact CE1-CD2 4.13Å; F24-L97 HydrophobicContact CE2-CB 4.45Å; F24-L97 HydrophobicContact CE2-CD1 3.58Å; F24-L97 HydrophobicContact CE2-CD2 4.44Å; F24-L97 HydrophobicContact CE2-CG 4.37Å; F24-L97 HydrophobicContact CG-CD1 3.95Å; F24-L97 HydrophobicContact CG-CD2 3.96Å; F24-L97 HydrophobicContact CZ-CB 4.35Å; F24-L97 HydrophobicContact CZ-CD1 4.23Å; F24-L97 HydrophobicContact CZ-CD2 4.39Å |
| 25 | S | 55.2 | Low | 54.2 | Low | 22 Ų | 22 | 58.1 Ų | 58.1 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.9 | 174.1 | 64 | 0 | 0 | 0 | 0 | 111.4 | V17 K18 L63 | V17-S25 WeakPolarHBondContact CA-O 3.4Å; K18-S25 PolarHBondContact N-O 3.3Å; K18-S25 VanDerWaalsContact N-O 3.16Å; K18-S25 PolarHBondContact O-N 3.45Å; K18-S25 VanDerWaalsContact O-N 3.17Å; K18-S25 PolarHBondContact O-OG 2.93Å; S25-L63 WeakPolarHBondContact CA-O 3.46Å |
| 26 | M | 61.8 | Low | 54.6 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.5 | 172 | 176.8 | 175.3 | 65.4 | 0 | 0 | 107.8 | F15 F24 W28 L38 Q62 L63 V78 V95 | F15-M26 HydrophobicContact CD1-CG 3.89Å; F15-M26 HydrophobicContact CD1-SD 3.83Å; F15-M26 HydrophobicContact CE1-CG 4.37Å; F15-M26 HydrophobicContact CE1-SD 3.78Å; F15-M26 HydrophobicContact CZ-SD 4.37Å; F24-M26 HydrophobicContact CE1-CB 4.1Å; F24-M26 HydrophobicContact CZ-CB 4.11Å; M26-W28 HydrophobicContact CE-CE3 4.24Å; M26-W28 HydrophobicContact CE-CZ3 3.86Å; M26-W28 HydrophobicContact CG-CE3 4.18Å; M26-W28 HydrophobicContact CG-CZ3 4.38Å; M26-L38 HydrophobicContact CE-CD1 4.16Å; M26-Q62 CarbonylContact O-C 3.58Å; M26-Q62 VanDerWaalsContact O-CA 3.26Å; M26-Q62 WeakPolarHBondContact O-CA 3.27Å; M26-Q62 WeakPolarHBondContact O-CG 3.19Å; M26-L63 HydrophobicContact CE-CB 4.19Å; M26-L63 PolarHBondContact N-O 3.15Å; M26-L63 PolarHBondContact O-N 3.5Å; M26-V78 HydrophobicContact CE-CG2 3.67Å; M26-V78 HydrophobicContact SD-CG2 4.34Å; M26-V95 HydrophobicContact SD-CB 4.49Å; M26-V95 HydrophobicContact SD-CG1 3.38Å; M26-V95 WeakPolarHBondContact SD-CG1 3.3Å |
| 27 | S | 60.8 | Low | 55.1 | Low | 41 Ų | 41 | 55.5 Ų | 55.5 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | F15 T16 T61 | F15-S27 WeakPolarHBondContact CA-O 3.48Å; T16-S27 PolarHBondContact N-O 3.34Å; T16-S27 PolarHBondContact O-N 2.86Å; T16-S27 PolarHBondContact O-OG 2.9Å; S27-T61 VanDerWaalsContact CA-O 3.25Å; S27-T61 WeakPolarHBondContact CA-O 3.44Å |
| 28 | W | 63.9 | Low | 55.8 | Low | 13 Ų | 13 | 53.1 Ų | 53.1 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | trans | -143 | 158 | 179 | 59.4 | 88.8 | 0 | 0 | 0 | 110.7 | I13 F15 M26 L38 A60 T61 L63 V78 | I13-W28 HydrophobicContact CG2-CB 3.89Å; F15-W28 HydrophobicContact CD1-CB 4.44Å; M26-W28 HydrophobicContact CE-CE3 4.24Å; M26-W28 HydrophobicContact CE-CZ3 3.86Å; M26-W28 HydrophobicContact CG-CE3 4.18Å; M26-W28 HydrophobicContact CG-CZ3 4.38Å; W28-L38 HydrophobicContact CH2-CD1 4.18Å; W28-L38 HydrophobicContact CH2-CD2 4.18Å; W28-A60 VanDerWaalsContact CE2-O 3.3Å; W28-A60 WeakPolarHBondContact CZ2-O 3.27Å; W28-A60 PolarHBondContact NE1-O 3.5Å; W28-T61 PolarHBondContact N-O 3.49Å; W28-L63 HydrophobicContact CH2-CB 4.17Å; W28-L63 HydrophobicContact CZ3-CB 3.98Å; W28-L63 VanDerWaalsContact CZ3-N 3.31Å; W28-V78 HydrophobicContact CD2-CG1 4.25Å; W28-V78 HydrophobicContact CD2-CG2 4.19Å; W28-V78 HydrophobicContact CE3-CG2 3.98Å; W28-V78 HydrophobicContact CG-CG1 4.39Å; W28-V78 HydrophobicContact CZ3-CG2 4.22Å | ||
| 29 | A | 59.7 | Low | 56.7 | Low | 62 Ų | 62 | 50.8 Ų | 50.8 | 51% | 0.512 | 33% | 0.328 | S | S | . | . | trans | -126.4 | 134 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 30 | Y | 61.1 | Low | 57.6 | Low | 32 Ų | 32 | 46.5 Ų | 46.5 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | trans | -140.3 | 146.9 | 169.8 | -164.1 | -107.9 | 0 | 0 | 0 | 107.2 | T32 D34 V80 | Y30-T32 WeakPolarHBondContact CD1-OG1 3.3Å; Y30-T32 HydrophobicContact CE1-CG2 4.28Å; Y30-T32 WeakPolarHBondContact CE1-OG1 3.2Å; Y30-D34 HydrophobicContact CE1-CB 4.43Å; Y30-V80 HydrophobicContact CD1-CG1 3.86Å; Y30-V80 HydrophobicContact CD2-CG2 4.21Å; Y30-V80 HydrophobicContact CE1-CG1 3.45Å; Y30-V80 VanDerWaalsContact CE1-CG1 3.45Å; Y30-V80 HydrophobicContact CE2-CG1 4.37Å; Y30-V80 HydrophobicContact CE2-CG2 4.31Å; Y30-V80 HydrophobicContact CG-CG1 4.46Å; Y30-V80 HydrophobicContact CG-CG2 4.31Å | ||
| 31 | Q | 55.2 | Low | 57.8 | Low | 52 Ų | 52 | 45.1 Ų | 45.1 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | trans | -125.2 | 43.1 | -161.7 | -62.9 | 165.6 | 12.3 | 0 | 0 | 112.4 | V5 Q6 V7 | V5-Q31 WeakPolarHBondContact O-CG 3.43Å; V5-Q31 PolarHBondContact O-OE1 3Å; Q6-Q31 PolarHBondContact O-OE1 3.37Å; V7-Q31 HydrophobicContact CB-CB 3.8Å; V7-Q31 VanDerWaalsContact CB-CD 3.49Å; V7-Q31 HydrophobicContact CB-CG 4.05Å; V7-Q31 VanDerWaalsContact CG1-OE1 3.24Å; V7-Q31 HydrophobicContact CG2-CB 3.61Å; V7-Q31 HydrophobicContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact N-CD 3.34Å | ||
| 32 | T | 56.4 | Low | 57.8 | Low | 48 Ų | 48 | 44.3 Ų | 44.3 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -136.8 | 162.2 | 169.4 | 63.5 | 0 | 0 | 0 | 0 | 111 | Y30 D34 | Y30-T32 WeakPolarHBondContact CD1-OG1 3.3Å; Y30-T32 HydrophobicContact CE1-CG2 4.28Å; Y30-T32 WeakPolarHBondContact CE1-OG1 3.2Å; T32-D34 PolarHBondContact O-N 2.9Å; T32-D34 VanDerWaalsContact OG1-CG 3.3Å; T32-D34 PolarHBondContact OG1-OD2 3.36Å |
| 33 | G | 52 | Low | 57.7 | Low | 70 Ų | 70 | 43.5 Ų | 43.5 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73.7 | 33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T83 | G33-T83 WeakPolarHBondContact O-CG2 3.24Å; G33-T83 PolarHBondContact O-OG1 2.94Å |
| 34 | D | 58.8 | Low | 57.7 | Low | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 156.1 | 174.6 | -69 | -45.8 | 0 | 0 | 0 | 110.6 | Y30 T32 V80 P82 K90 | Y30-D34 HydrophobicContact CE1-CB 4.43Å; T32-D34 PolarHBondContact O-N 2.9Å; T32-D34 VanDerWaalsContact OG1-CG 3.3Å; T32-D34 PolarHBondContact OG1-OD2 3.36Å; D34-V80 HydrophobicContact CB-CG1 4.24Å; D34-P82 WeakPolarHBondContact OD1-CA 3.34Å; D34-K90 IonicContact OD1-NZ 2.78Å; D34-K90 PolarHBondContact OD1-NZ 3.45Å; D34-K90 IonicContact OD2-NZ 3.84Å; D34-K90 PolarHBondContact OD2-NZ 2.93Å |
| 35 | T | 54.4 | Low | 57.3 | Low | 86 Ų | 86 | 47 Ų | 47 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.9 | 177.6 | -45 | 0 | 0 | 0 | 0 | 109.3 | V81 T83 | T35-V81 PolarHBondContact N-O 3.3Å; T35-V81 VanDerWaalsContact N-O 3.08Å; T35-V81 PolarHBondContact O-N 2.77Å; T35-V81 VanDerWaalsContact O-N 3.11Å; T35-T83 VanDerWaalsContact OG1-CG2 3.26Å; T35-T83 WeakPolarHBondContact OG1-CG2 3.44Å |
| 36 | L | 56.8 | Low | 57.2 | Low | 48 Ų | 48 | 50.2 Ų | 50.2 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.9 | 177.2 | -72.7 | 148.7 | 0 | 0 | 0 | 108.9 | A60 V78 V80 | L36-A60 HydrophobicContact CD1-CB 4.43Å; L36-A60 WeakPolarHBondContact CD1-O 3.41Å; L36-V78 HydrophobicContact CD2-CG1 4.43Å; L36-V80 HydrophobicContact CD2-CG2 3.97Å |
| 37 | A | 56.1 | Low | 56.8 | Low | 30 Ų | 30 | 55.1 Ų | 55.1 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 109.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | E79 V81 | A37-E79 CarbonylContact C-O 3.57Å; A37-E79 PolarHBondContact N-O 2.88Å; A37-E79 CarbonylContact O-C 3.48Å; A37-E79 WeakPolarHBondContact O-CA 3.3Å; A37-E79 WeakPolarHBondContact O-CB 3.44Å; A37-E79 PolarHBondContact O-N 3.4Å; A37-V81 HydrophobicContact CB-CG2 3.6Å |
| 38 | L | 59.7 | Low | 56.4 | Low | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.7 | 178.3 | -179.2 | 67.6 | 0 | 0 | 0 | 110.1 | M26 W28 S45 I58 L63 V78 | M26-L38 HydrophobicContact CE-CD1 4.16Å; W28-L38 HydrophobicContact CH2-CD1 4.18Å; W28-L38 HydrophobicContact CH2-CD2 4.18Å; L38-S45 VanDerWaalsContact O-CB 3.23Å; L38-S45 WeakPolarHBondContact O-CB 3.33Å; L38-I58 HydrophobicContact CB-CG2 4.44Å; L38-I58 HydrophobicContact CD2-CB 4.14Å; L38-I58 HydrophobicContact CD2-CD1 3.72Å; L38-I58 HydrophobicContact CD2-CG1 3.61Å; L38-I58 HydrophobicContact CD2-CG2 3.41Å; L38-I58 VanDerWaalsContact CD2-CG2 3.41Å; L38-L63 HydrophobicContact CD1-CD1 4.37Å; L38-L63 HydrophobicContact CD2-CB 3.94Å; L38-L63 HydrophobicContact CD2-CD1 3.58Å; L38-L63 HydrophobicContact CD2-CG 4.28Å; L38-L63 HydrophobicContact CG-CD1 4.31Å; L38-V78 HydrophobicContact CD1-CG2 3.78Å |
| 39 | W | 60.7 | Low | 56.3 | Low | 90 Ų | 90 | 57.4 Ų | 57.4 | 34% | 0.341 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.9 | 176.3 | -61.8 | 85.8 | 0 | 0 | 0 | 110.5 | G43 T77 E79 | W39-G43 VanDerWaalsContact CE3-C 3.5Å; W39-G43 WeakPolarHBondContact CZ3-O 3.44Å; W39-T77 PolarHBondContact N-O 2.64Å; W39-T77 PolarHBondContact O-N 3.23Å; W39-E79 VanDerWaalsContact CD1-CD 3.48Å; W39-E79 PolarHBondContact NE1-OE2 3.38Å |
| 40 | T | 62.8 | Low | 56.6 | Low | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 155 | 174.5 | 71.4 | 0 | 0 | 0 | 0 | 110.7 | S42 G43 T44 F52 Y76 | T40-S42 PolarHBondContact O-N 3.3Å; T40-G43 PolarHBondContact O-N 2.91Å; T40-T44 PolarHBondContact OG1-O 3.37Å; T40-F52 HydrophobicContact CG2-CE2 4.08Å; T40-Y76 HydrophobicContact CG2-CD1 4.48Å; T40-Y76 HydrophobicContact CG2-CE1 4.42Å |
| 41 | Q | 56 | Low | 57 | Low | 74 Ų | 74 | 60.6 Ų | 60.6 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 3.4 | -26.8 | 176 | -157.4 | 178.5 | -0.3 | 0 | 0 | 121.9 | N71 A73 F75 | Q41-N71 PolarHBondContact OE1-O 2.88Å; Q41-A73 PolarHBondContact NE2-O 2.75Å; Q41-F75 VanDerWaalsContact CA-O 3.32Å; Q41-F75 WeakPolarHBondContact CA-O 3.47Å; Q41-F75 PolarHBondContact N-O 3Å |
| 42 | S | 51.7 | Low | 57.6 | Low | 93 Ų | 93 | 58.2 Ų | 58.2 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.8 | 14 | -172.2 | 45 | 0 | 0 | 0 | 0 | 114.7 | T40 | T40-S42 PolarHBondContact O-N 3.3Š|
| 43 | G | 54.6 | Low | 58.4 | Low | 42 Ų | 42 | 65.9 Ų | 65.9 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 26.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W39 T40 | W39-G43 VanDerWaalsContact CE3-C 3.5Å; W39-G43 WeakPolarHBondContact CZ3-O 3.44Å; T40-G43 PolarHBondContact O-N 2.91Å |
| 44 | T | 53.6 | Low | 59.4 | Low | 63 Ų | 63 | 66.8 Ų | 66.8 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -118.3 | 119.9 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | T40 V49 | T40-T44 PolarHBondContact OG1-O 3.37Å; T44-V49 WeakPolarHBondContact OG1-CG2 3.31Å |
| 45 | S | 51.6 | Low | 60.1 | Low | 74 Ų | 74 | 67.6 Ų | 67.6 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | trans | -104.4 | 65.2 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | L38 | L38-S45 VanDerWaalsContact O-CB 3.23Å; L38-S45 WeakPolarHBondContact O-CB 3.33Å | ||
| 46 | D | 54.7 | Low | 61 | Low | 88 Ų | 88 | 64.6 Ų | 64.6 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -153.8 | 141.2 | 178 | -165.4 | 3.3 | 0 | 0 | 0 | 113.1 | S48 V49 | D46-S48 WeakPolarHBondContact CB-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.96Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 WeakPolarHBondContact OD2-CB 3.27Å; D46-S48 PolarHBondContact OD2-OG 3.34Å; D46-V49 WeakPolarHBondContact O-CG2 3.33Å; D46-V49 PolarHBondContact O-N 3.28Å; D46-V49 VanDerWaalsContact O-N 3.14Å |
| 47 | N | 51.5 | Low | 61.8 | Low | 104 Ų | 104 | 65.4 Ų | 65.4 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -4.4 | 166.6 | -77 | -22.7 | 0 | 0 | 0 | 112.7 | V49 | N47-V49 VanDerWaalsContact C-N 3.32Š|
| 48 | S | 52.9 | Low | 62.7 | Low | 80 Ų | 80 | 67.6 Ų | 67.6 | 56% | 0.559 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.1 | 172.1 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | D46 P50 | D46-S48 WeakPolarHBondContact CB-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.96Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 WeakPolarHBondContact OD2-CB 3.27Å; D46-S48 PolarHBondContact OD2-OG 3.34Å; S48-P50 WeakPolarHBondContact O-CD 3.38Å |
| 49 | V | 63.2 | Low | 63.3 | Low | 21 Ų | 21 | 69.3 Ų | 69.3 | 13% | 0.127 | 41% | 0.409 | C | S | . | . | trans | -65.6 | 115.1 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | T44 D46 N47 Q51 F52 | T44-V49 WeakPolarHBondContact OG1-CG2 3.31Å; D46-V49 WeakPolarHBondContact O-CG2 3.33Å; D46-V49 PolarHBondContact O-N 3.28Å; D46-V49 VanDerWaalsContact O-N 3.14Å; N47-V49 VanDerWaalsContact C-N 3.32Å; V49-Q51 HydrophobicContact CG1-CB 4.21Å; V49-Q51 HydrophobicContact CG1-CG 3.72Å; V49-Q51 PolarHBondContact O-N 3.48Å; V49-F52 HydrophobicContact CB-CD2 3.98Å; V49-F52 HydrophobicContact CG1-CD2 4.05Å; V49-F52 HydrophobicContact CG1-CE2 4.37Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-F52 VanDerWaalsContact O-N 3.09Å | ||
| 50 | P | 66.1 | Low | 63.7 | Low | 113 Ų | 113 | 68.2 Ų | 68.2 | 73% | 0.734 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -57 | -29.4 | -173.7 | -27.4 | 36.1 | 0 | 0 | 0 | 113.7 | S48 F52 R53 | S48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-F52 PolarHBondContact O-N 3.47Å; P50-R53 PolarHBondContact O-N 3Å |
| 51 | Q | 67.4 | Low | 64.1 | Low | 48 Ų | 48 | 71.7 Ų | 71.7 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -59.9 | -34.4 | -178.8 | 92.1 | -169.5 | 36.9 | 0 | 0 | 112.5 | V49 R55 | V49-Q51 HydrophobicContact CG1-CB 4.21Å; V49-Q51 HydrophobicContact CG1-CG 3.72Å; V49-Q51 PolarHBondContact O-N 3.48Å; Q51-R55 PolarHBondContact O-NH2 3.34Å |
| 52 | F | 69.6 | Low | 64.7 | Low | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.013 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -100.2 | 1.9 | -171.3 | -66.4 | -47.3 | 0 | 0 | 0 | 114.7 | T40 V49 P50 G54 R55 L56 I65 D72 Y76 | T40-F52 HydrophobicContact CG2-CE2 4.08Å; V49-F52 HydrophobicContact CB-CD2 3.98Å; V49-F52 HydrophobicContact CG1-CD2 4.05Å; V49-F52 HydrophobicContact CG1-CE2 4.37Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-F52 VanDerWaalsContact O-N 3.09Å; P50-F52 PolarHBondContact O-N 3.47Å; F52-G54 PolarHBondContact O-N 3.38Å; F52-G54 VanDerWaalsContact O-N 3.11Å; F52-R55 PolarHBondContact O-N 2.98Å; F52-L56 HydrophobicContact CB-CB 3.76Å; F52-L56 HydrophobicContact CB-CD2 3.9Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 HydrophobicContact CD2-CD2 4.01Å; F52-L56 HydrophobicContact CG-CB 4.34Å; F52-L56 HydrophobicContact CG-CD2 4.03Å; F52-L56 PolarHBondContact O-N 3.4Å; F52-I65 HydrophobicContact CD1-CD1 4.43Å; F52-I65 HydrophobicContact CE1-CD1 3.85Å; F52-I65 HydrophobicContact CE1-CG1 4.48Å; F52-D72 HydrophobicContact CE1-CB 4.43Å; F52-D72 WeakPolarHBondContact CE1-OD1 3.33Å; F52-Y76 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y76 AromaticContact CZ-CE1 3.96Å; F52-Y76 HydrophobicContact CZ-CE1 3.96Å; F52-Y76 WeakPolarHBondContact CZ-OH 3.43Å |
| 53 | R | 72.4 | Confident | 65.8 | Low | 209 Ų | 209 | 66.6 Ų | 66.6 | 79% | 0.789 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 116.7 | -169.3 | -171.3 | 175.3 | -176.7 | 165.1 | 1.7 | 112 | P50 R55 | P50-R53 PolarHBondContact O-N 3Å; R53-R55 PolarHBondContact O-N 3.5Å |
| 54 | G | 72 | Confident | 66.6 | Low | 88 Ų | 88 | 67.9 Ų | 67.9 | 91% | 0.907 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F52 | F52-G54 PolarHBondContact O-N 3.38Å; F52-G54 VanDerWaalsContact O-N 3.11Å |
| 55 | R | 73.6 | Confident | 67.5 | Low | 43 Ų | 43 | 64.9 Ų | 64.9 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -20.8 | -178.9 | -62.9 | -170.6 | -55.1 | 110.9 | -4.4 | 113.3 | Q51 F52 R53 I65 G66 A67 D72 | Q51-R55 PolarHBondContact O-NH2 3.34Å; F52-R55 PolarHBondContact O-N 2.98Å; R53-R55 PolarHBondContact O-N 3.5Å; R55-I65 CarbonylContact O-C 3.57Å; R55-I65 WeakPolarHBondContact O-CA 3.47Å; R55-G66 WeakPolarHBondContact CB-O 3.26Å; R55-G66 WeakPolarHBondContact CD-O 3.4Å; R55-G66 PolarHBondContact NH1-O 2.95Å; R55-G66 PolarHBondContact O-N 2.74Å; R55-A67 PolarHBondContact NH1-O 3.22Å; R55-D72 IonicContact CZ-OD1 3.26Å; R55-D72 IonicContact CZ-OD2 3.9Å; R55-D72 IonicContact NH1-OD1 3.84Å; R55-D72 IonicContact NH1-OD2 3.45Å; R55-D72 PolarHBondContact NH1-OD2 3.42Å; R55-D72 IonicContact NH2-OD1 2.67Å; R55-D72 PolarHBondContact NH2-OD1 3.03Å; R55-D72 IonicContact NH2-OD2 2.76Å; R55-D72 PolarHBondContact NH2-OD2 2.96Å; R55-D72 VanDerWaalsContact NH2-OD2 3.15Å |
| 56 | L | 74.3 | Confident | 68.2 | Low | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.6 | -177.9 | 177.8 | 67.5 | 0 | 0 | 0 | 111.6 | F52 I58 L63 Q64 I65 | F52-L56 HydrophobicContact CB-CB 3.76Å; F52-L56 HydrophobicContact CB-CD2 3.9Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 HydrophobicContact CD2-CD2 4.01Å; F52-L56 HydrophobicContact CG-CB 4.34Å; F52-L56 HydrophobicContact CG-CD2 4.03Å; F52-L56 PolarHBondContact O-N 3.4Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 3.86Å; L56-I58 HydrophobicContact CD2-CD1 3.7Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CD1 3.87Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; L56-L63 HydrophobicContact CD1-CD1 3.85Å; L56-L63 HydrophobicContact CD1-CG 3.93Å; L56-Q64 CarbonylContact C-O 3.52Å; L56-Q64 WeakPolarHBondContact CA-O 3.42Å; L56-I65 HydrophobicContact CD1-CG1 3.88Å |
| 57 | S | 74.3 | Confident | 68.9 | Low | 66 Ų | 66 | 61.3 Ų | 61.3 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.3 | 169.7 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | L63 Q64 | S57-L63 CarbonylContact O-C 3.6Å; S57-L63 WeakPolarHBondContact O-CA 3.31Å; S57-Q64 PolarHBondContact N-O 3.13Å; S57-Q64 PolarHBondContact O-N 3.11Å |
| 58 | I | 73.8 | Confident | 69.8 | Low | 75 Ų | 75 | 58.5 Ų | 58.5 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.2 | -178.7 | -62.6 | 164.5 | 0 | 0 | 0 | 108.2 | L38 L56 L63 | L38-I58 HydrophobicContact CB-CG2 4.44Å; L38-I58 HydrophobicContact CD2-CB 4.14Å; L38-I58 HydrophobicContact CD2-CD1 3.72Å; L38-I58 HydrophobicContact CD2-CG1 3.61Å; L38-I58 HydrophobicContact CD2-CG2 3.41Å; L38-I58 VanDerWaalsContact CD2-CG2 3.41Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 3.86Å; L56-I58 HydrophobicContact CD2-CD1 3.7Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CD1 3.87Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; I58-L63 HydrophobicContact CG1-CD1 4.44Å |
| 59 | S | 72.8 | Confident | 70.7 | Confident | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | trans | -127.3 | 177.1 | 171.5 | 70.9 | 0 | 0 | 0 | 0 | 109.8 | T61 Q62 | S59-T61 PolarHBondContact O-N 3.37Å; S59-T61 VanDerWaalsContact O-N 3.14Å; S59-T61 PolarHBondContact OG-N 3Å; S59-Q62 PolarHBondContact N-O 3.02Å; S59-Q62 WeakPolarHBondContact OG-CB 3.35Å; S59-Q62 PolarHBondContact OG-N 2.98Å; S59-Q62 PolarHBondContact OG-O 3.26Å | ||
| 60 | A | 68.5 | Low | 71.2 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 55% | 0.554 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -57.5 | -27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W28 L36 | W28-A60 VanDerWaalsContact CE2-O 3.3Å; W28-A60 WeakPolarHBondContact CZ2-O 3.27Å; W28-A60 PolarHBondContact NE1-O 3.5Å; L36-A60 HydrophobicContact CD1-CB 4.43Å; L36-A60 WeakPolarHBondContact CD1-O 3.41Å |
| 61 | T | 70.7 | Confident | 71.7 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -123.2 | 0.2 | -172.3 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | S27 W28 S59 | S27-T61 VanDerWaalsContact CA-O 3.25Å; S27-T61 WeakPolarHBondContact CA-O 3.44Å; W28-T61 PolarHBondContact N-O 3.49Å; S59-T61 PolarHBondContact O-N 3.37Å; S59-T61 VanDerWaalsContact O-N 3.14Å; S59-T61 PolarHBondContact OG-N 3Å |
| 62 | Q | 70.5 | Confident | 72 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 137.8 | -170.8 | -163.6 | 175.1 | 17.8 | 0 | 0 | 112.7 | M26 S59 Q64 | M26-Q62 CarbonylContact O-C 3.58Å; M26-Q62 VanDerWaalsContact O-CA 3.26Å; M26-Q62 WeakPolarHBondContact O-CA 3.27Å; M26-Q62 WeakPolarHBondContact O-CG 3.19Å; S59-Q62 PolarHBondContact N-O 3.02Å; S59-Q62 WeakPolarHBondContact OG-CB 3.35Å; S59-Q62 PolarHBondContact OG-N 2.98Å; S59-Q62 PolarHBondContact OG-O 3.26Å; Q62-Q64 VanDerWaalsContact CD-NE2 3.33Å; Q62-Q64 HydrophobicContact CG-CG 3.95Å |
| 63 | L | 73.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.7 | 162 | 170 | 149.3 | 0 | 0 | 0 | 108.3 | F24 S25 M26 W28 L38 L56 S57 I58 I65 Y76 | F24-L63 HydrophobicContact CD1-CD2 3.83Å; F24-L63 HydrophobicContact CE1-CD2 3.66Å; S25-L63 WeakPolarHBondContact CA-O 3.46Å; M26-L63 HydrophobicContact CE-CB 4.19Å; M26-L63 PolarHBondContact N-O 3.15Å; M26-L63 PolarHBondContact O-N 3.5Å; W28-L63 HydrophobicContact CH2-CB 4.17Å; W28-L63 HydrophobicContact CZ3-CB 3.98Å; W28-L63 VanDerWaalsContact CZ3-N 3.31Å; L38-L63 HydrophobicContact CD1-CD1 4.37Å; L38-L63 HydrophobicContact CD2-CB 3.94Å; L38-L63 HydrophobicContact CD2-CD1 3.58Å; L38-L63 HydrophobicContact CD2-CG 4.28Å; L38-L63 HydrophobicContact CG-CD1 4.31Å; L56-L63 HydrophobicContact CD1-CD1 3.85Å; L56-L63 HydrophobicContact CD1-CG 3.93Å; S57-L63 CarbonylContact O-C 3.6Å; S57-L63 WeakPolarHBondContact O-CA 3.31Å; I58-L63 HydrophobicContact CG1-CD1 4.44Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.94Å; L63-Y76 HydrophobicContact CD1-CD1 4.11Å; L63-Y76 HydrophobicContact CD1-CE1 4.47Å |
| 64 | Q | 71.6 | Confident | 72.4 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134 | 173.1 | -60.4 | -175.8 | -24.9 | 0 | 0 | 110.1 | V23 F24 L56 S57 Q62 | V23-Q64 HydrophobicContact CG1-CB 4.48Å; F24-Q64 VanDerWaalsContact O-CA 3.29Å; F24-Q64 WeakPolarHBondContact O-CA 3.25Å; L56-Q64 CarbonylContact C-O 3.52Å; L56-Q64 WeakPolarHBondContact CA-O 3.42Å; S57-Q64 PolarHBondContact N-O 3.13Å; S57-Q64 PolarHBondContact O-N 3.11Å; Q62-Q64 VanDerWaalsContact CD-NE2 3.33Å; Q62-Q64 HydrophobicContact CG-CG 3.95Å |
| 65 | I | 72.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111.2 | 170.1 | -58.4 | 166.3 | 0 | 0 | 0 | 107 | F24 F52 R55 L56 L63 Y76 L97 | F24-I65 HydrophobicContact CB-CB 4.38Å; F24-I65 HydrophobicContact CD1-CD1 4.11Å; F24-I65 HydrophobicContact CD1-CG1 4.43Å; F24-I65 PolarHBondContact N-O 3.37Å; F24-I65 PolarHBondContact O-N 2.98Å; F52-I65 HydrophobicContact CD1-CD1 4.43Å; F52-I65 HydrophobicContact CE1-CD1 3.85Å; F52-I65 HydrophobicContact CE1-CG1 4.48Å; R55-I65 CarbonylContact O-C 3.57Å; R55-I65 WeakPolarHBondContact O-CA 3.47Å; L56-I65 HydrophobicContact CD1-CG1 3.88Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.94Å; I65-Y76 HydrophobicContact CD1-CE1 3.78Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.49Å; I65-L97 HydrophobicContact CD1-CD2 4.3Å |
| 66 | G | 66.9 | Low | 72.4 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 150.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R55 A68 | R55-G66 WeakPolarHBondContact CB-O 3.26Å; R55-G66 WeakPolarHBondContact CD-O 3.4Å; R55-G66 PolarHBondContact NH1-O 2.95Å; R55-G66 PolarHBondContact O-N 2.74Å; G66-A68 PolarHBondContact O-N 3.2Å |
| 67 | A | 69.3 | Low | 72.4 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 45.8 | 61.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A22 R55 | A22-A67 PolarHBondContact O-N 2.84Å; R55-A67 PolarHBondContact NH1-O 3.22Å |
| 68 | A | 69.4 | Low | 72.3 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | trans | -54.2 | 138.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G66 D72 V99 | G66-A68 PolarHBondContact O-N 3.2Å; A68-D72 WeakPolarHBondContact CA-OD2 3.48Å; A68-V99 HydrophobicContact CB-CG1 4.4Å | ||
| 69 | Q | 72.9 | Confident | 72.2 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | trans | -119.5 | 157.7 | -177.5 | -61.7 | -177 | -23 | 0 | 0 | 110.4 | N71 D72 V99 | Q69-N71 WeakPolarHBondContact CB-OD1 3.43Å; Q69-N71 PolarHBondContact O-N 3.21Å; Q69-N71 PolarHBondContact OE1-OD1 3.19Å; Q69-D72 PolarHBondContact N-OD2 2.83Å; Q69-D72 VanDerWaalsContact O-CB 3.27Å; Q69-D72 WeakPolarHBondContact O-CB 3.28Å; Q69-D72 PolarHBondContact O-N 2.81Å; Q69-V99 WeakPolarHBondContact O-CG1 3.15Å | ||
| 70 | L | 73.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 43.6 Ų | 43.6 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -57.3 | -34.5 | -178.2 | -72.1 | 175.4 | 0 | 0 | 0 | 113.5 | D72 A73 V99 D101 T130 | L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 2.88Å; L70-A73 WeakPolarHBondContact O-CB 3.39Å; L70-A73 PolarHBondContact O-N 3.23Å; L70-V99 HydrophobicContact CD2-CG1 4.45Å; L70-V99 WeakPolarHBondContact CD2-O 3.43Å; L70-D101 HydrophobicContact CD1-CB 4.33Å; L70-D101 HydrophobicContact CD2-CB 4.22Å; L70-T130 HydrophobicContact CD2-CG2 3.99Å |
| 71 | N | 76.4 | Confident | 72.2 | Confident | 82 Ų | 82 | 41.7 Ų | 41.7 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -76.2 | -9 | 177 | 62.6 | -25.2 | 0 | 0 | 0 | 113.8 | Q41 Q69 A73 | Q41-N71 PolarHBondContact OE1-O 2.88Å; Q69-N71 WeakPolarHBondContact CB-OD1 3.43Å; Q69-N71 PolarHBondContact O-N 3.21Å; Q69-N71 PolarHBondContact OE1-OD1 3.19Å; N71-A73 PolarHBondContact O-N 2.74Å |
| 72 | D | 74.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.7 | -11.5 | 170.7 | -60.1 | -33.2 | 0 | 0 | 0 | 111.3 | F52 R55 A68 Q69 L70 Y76 L97 V99 | F52-D72 HydrophobicContact CE1-CB 4.43Å; F52-D72 WeakPolarHBondContact CE1-OD1 3.33Å; R55-D72 IonicContact CZ-OD1 3.26Å; R55-D72 IonicContact CZ-OD2 3.9Å; R55-D72 IonicContact NH1-OD1 3.84Å; R55-D72 IonicContact NH1-OD2 3.45Å; R55-D72 PolarHBondContact NH1-OD2 3.42Å; R55-D72 IonicContact NH2-OD1 2.67Å; R55-D72 PolarHBondContact NH2-OD1 3.03Å; R55-D72 IonicContact NH2-OD2 2.76Å; R55-D72 PolarHBondContact NH2-OD2 2.96Å; R55-D72 VanDerWaalsContact NH2-OD2 3.15Å; A68-D72 WeakPolarHBondContact CA-OD2 3.48Å; Q69-D72 PolarHBondContact N-OD2 2.83Å; Q69-D72 VanDerWaalsContact O-CB 3.27Å; Q69-D72 WeakPolarHBondContact O-CB 3.28Å; Q69-D72 PolarHBondContact O-N 2.81Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 2.88Å; D72-Y76 VanDerWaalsContact O-CE2 3.29Å; D72-Y76 WeakPolarHBondContact O-CE2 3.24Å; D72-Y76 PolarHBondContact O-OH 2.72Å; D72-L97 HydrophobicContact CB-CD2 4.37Å; D72-L97 WeakPolarHBondContact O-CD2 3.35Å; D72-V99 HydrophobicContact CB-CG2 4.44Å |
| 73 | A | 75.3 | Confident | 71.5 | Confident | 33 Ų | 33 | 39.8 Ų | 39.8 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -68.4 | 134.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q41 L70 N71 L97 V99 | Q41-A73 PolarHBondContact NE2-O 2.75Å; L70-A73 WeakPolarHBondContact O-CB 3.39Å; L70-A73 PolarHBondContact O-N 3.23Å; N71-A73 PolarHBondContact O-N 2.74Å; A73-L97 CarbonylContact C-O 3.19Å; A73-L97 WeakPolarHBondContact CA-O 3.4Å; A73-L97 WeakPolarHBondContact CB-O 3.38Å; A73-V99 HydrophobicContact CB-CB 4.34Å; A73-V99 HydrophobicContact CB-CG2 4.14Å | ||
| 74 | G | 73.8 | Confident | 70.9 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -172.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y76 L97 | G74-Y76 WeakPolarHBondContact O-CD2 3.17Å; G74-L97 PolarHBondContact N-O 3.15Å; G74-L97 PolarHBondContact O-N 3.36Å |
| 75 | F | 73.6 | Confident | 70.3 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.2 | 178.6 | -68.8 | -81.8 | 0 | 0 | 0 | 111.3 | Q41 V95 E96 | Q41-F75 VanDerWaalsContact CA-O 3.32Å; Q41-F75 WeakPolarHBondContact CA-O 3.47Å; Q41-F75 PolarHBondContact N-O 3Å; F75-V95 CarbonylContact C-O 3.54Å; F75-V95 WeakPolarHBondContact CA-O 3.32Å; F75-E96 HydrophobicContact CD1-CB 3.99Å; F75-E96 HydrophobicContact CD1-CG 4.44Å; F75-E96 HydrophobicContact CE1-CB 3.68Å; F75-E96 HydrophobicContact CE1-CG 4.06Å; F75-E96 HydrophobicContact CZ-CB 4.22Å; F75-E96 HydrophobicContact CZ-CG 4.11Å |
| 76 | Y | 73.3 | Confident | 69.6 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | 172.6 | -69.6 | -100.1 | 0 | 0 | 0 | 108.3 | T40 F52 L63 I65 D72 G74 S94 V95 L97 | T40-Y76 HydrophobicContact CG2-CD1 4.48Å; T40-Y76 HydrophobicContact CG2-CE1 4.42Å; F52-Y76 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y76 AromaticContact CZ-CE1 3.96Å; F52-Y76 HydrophobicContact CZ-CE1 3.96Å; F52-Y76 WeakPolarHBondContact CZ-OH 3.43Å; L63-Y76 HydrophobicContact CD1-CD1 4.11Å; L63-Y76 HydrophobicContact CD1-CE1 4.47Å; I65-Y76 HydrophobicContact CD1-CE1 3.78Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.49Å; D72-Y76 VanDerWaalsContact O-CE2 3.29Å; D72-Y76 WeakPolarHBondContact O-CE2 3.24Å; D72-Y76 PolarHBondContact O-OH 2.72Å; G74-Y76 WeakPolarHBondContact O-CD2 3.17Å; Y76-S94 CarbonylContact O-C 3.51Å; Y76-S94 WeakPolarHBondContact O-CA 3.29Å; Y76-V95 PolarHBondContact N-O 2.89Å; Y76-V95 PolarHBondContact O-N 2.79Å; Y76-L97 HydrophobicContact CD2-CB 3.86Å; Y76-L97 HydrophobicContact CE2-CB 3.65Å; Y76-L97 HydrophobicContact CE2-CD2 3.77Å; Y76-L97 HydrophobicContact CE2-CG 4.3Å |
| 77 | T | 72.6 | Confident | 69.2 | Low | 29 Ų | 29 | 53.1 Ų | 53.1 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.9 | -174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | W39 E79 Q93 S94 | W39-T77 PolarHBondContact N-O 2.64Å; W39-T77 PolarHBondContact O-N 3.23Å; T77-E79 HydrophobicContact CG2-CG 4.05Å; T77-Q93 WeakPolarHBondContact CA-O 3.45Å; T77-S94 PolarHBondContact OG1-OG 3.28Å |
| 78 | V | 72.8 | Confident | 68.8 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | F15 M26 W28 L36 L38 S92 Q93 | F15-V78 HydrophobicContact CE1-CB 4.39Å; F15-V78 HydrophobicContact CE1-CG2 3.83Å; F15-V78 HydrophobicContact CZ-CG2 4.36Å; M26-V78 HydrophobicContact CE-CG2 3.67Å; M26-V78 HydrophobicContact SD-CG2 4.34Å; W28-V78 HydrophobicContact CD2-CG1 4.25Å; W28-V78 HydrophobicContact CD2-CG2 4.19Å; W28-V78 HydrophobicContact CE3-CG2 3.98Å; W28-V78 HydrophobicContact CG-CG1 4.39Å; W28-V78 HydrophobicContact CZ3-CG2 4.22Å; L36-V78 HydrophobicContact CD2-CG1 4.43Å; L38-V78 HydrophobicContact CD1-CG2 3.78Å; V78-S92 VanDerWaalsContact O-CA 3.27Å; V78-S92 WeakPolarHBondContact O-CA 3.44Å; V78-Q93 PolarHBondContact N-O 2.79Å; V78-Q93 PolarHBondContact O-N 3.22Å |
| 79 | E | 72.9 | Confident | 68.4 | Low | 45 Ų | 45 | 56.9 Ų | 56.9 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.1 | 173.9 | -62.7 | -170.8 | 164.1 | 0 | 0 | 110.6 | A37 W39 T77 V89 | A37-E79 CarbonylContact C-O 3.57Å; A37-E79 PolarHBondContact N-O 2.88Å; A37-E79 CarbonylContact O-C 3.48Å; A37-E79 WeakPolarHBondContact O-CA 3.3Å; A37-E79 WeakPolarHBondContact O-CB 3.44Å; A37-E79 PolarHBondContact O-N 3.4Å; W39-E79 VanDerWaalsContact CD1-CD 3.48Å; W39-E79 PolarHBondContact NE1-OE2 3.38Å; T77-E79 HydrophobicContact CG2-CG 4.05Å; E79-V89 HydrophobicContact CB-CG1 4.16Å; E79-V89 HydrophobicContact CG-CG1 4.31Å |
| 80 | V | 70.1 | Confident | 68 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | I13 Y30 D34 L36 K90 N91 | I13-V80 HydrophobicContact CD1-CG2 3.87Å; Y30-V80 HydrophobicContact CD1-CG1 3.86Å; Y30-V80 HydrophobicContact CD2-CG2 4.21Å; Y30-V80 HydrophobicContact CE1-CG1 3.45Å; Y30-V80 VanDerWaalsContact CE1-CG1 3.45Å; Y30-V80 HydrophobicContact CE2-CG1 4.37Å; Y30-V80 HydrophobicContact CE2-CG2 4.31Å; Y30-V80 HydrophobicContact CG-CG1 4.46Å; Y30-V80 HydrophobicContact CG-CG2 4.31Å; D34-V80 HydrophobicContact CB-CG1 4.24Å; L36-V80 HydrophobicContact CD2-CG2 3.97Å; V80-K90 HydrophobicContact CB-CB 4.3Å; V80-K90 HydrophobicContact CG1-CB 4.14Å; V80-K90 PolarHBondContact O-N 3.35Å; V80-N91 HydrophobicContact CB-CB 4.45Å; V80-N91 HydrophobicContact CG2-CB 4.39Å; V80-N91 PolarHBondContact N-O 3.06Å |
| 81 | V | 69.2 | Low | 67.6 | Low | 26 Ų | 26 | 54.5 Ų | 54.5 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.8 | -179.6 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | T35 A37 T83 | T35-V81 PolarHBondContact N-O 3.3Å; T35-V81 VanDerWaalsContact N-O 3.08Å; T35-V81 PolarHBondContact O-N 2.77Å; T35-V81 VanDerWaalsContact O-N 3.11Å; A37-V81 HydrophobicContact CB-CG2 3.6Å; V81-T83 PolarHBondContact O-N 2.73Å |
| 82 | P | 64.4 | Low | 67.4 | Low | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -59.1 | 137.1 | 176.2 | -11 | 18.7 | 0 | 0 | 0 | 112.4 | D34 S84 S85 L88 K90 | D34-P82 WeakPolarHBondContact OD1-CA 3.34Å; P82-S84 PolarHBondContact O-N 3.4Å; P82-S85 WeakPolarHBondContact CB-OG 3.35Å; P82-S85 VanDerWaalsContact CG-OG 3.31Å; P82-S85 WeakPolarHBondContact CG-OG 2.85Å; P82-S85 PolarHBondContact O-N 3.18Å; P82-L88 WeakPolarHBondContact CD-O 3.37Å; P82-L88 HydrophobicContact CG-CB 4.37Å; P82-K90 HydrophobicContact CB-CD 4.15Å; P82-K90 HydrophobicContact CG-CD 3.68Å; P82-K90 HydrophobicContact CG-CG 3.76Å | ||
| 83 | T | 62.7 | Low | 67.2 | Low | 90 Ų | 90 | 57 Ų | 57 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28 | 172.7 | 25.4 | 0 | 0 | 0 | 0 | 113 | G33 T35 V81 | G33-T83 WeakPolarHBondContact O-CG2 3.24Å; G33-T83 PolarHBondContact O-OG1 2.94Å; T35-T83 VanDerWaalsContact OG1-CG2 3.26Å; T35-T83 WeakPolarHBondContact OG1-CG2 3.44Å; V81-T83 PolarHBondContact O-N 2.73Å |
| 84 | S | 61.1 | Low | 67 | Low | 113 Ų | 113 | 58.4 Ų | 58.4 | 79% | 0.79 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -4.7 | -174.5 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | P82 | P82-S84 PolarHBondContact O-N 3.4Š|
| 85 | S | 59.8 | Low | 66.8 | Low | 38 Ų | 38 | 59 Ų | 59 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -149.9 | 102.5 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | P82 G87 | P82-S85 WeakPolarHBondContact CB-OG 3.35Å; P82-S85 VanDerWaalsContact CG-OG 3.31Å; P82-S85 WeakPolarHBondContact CG-OG 2.85Å; P82-S85 PolarHBondContact O-N 3.18Å; S85-G87 PolarHBondContact O-N 2.95Å |
| 86 | T | 58.4 | Low | 66.8 | Low | 146 Ų | 146 | 58 Ų | 58 | 90% | 0.896 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 120.4 | 172.5 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 87 | G | 57.7 | Low | 66.7 | Low | 74 Ų | 74 | 58.3 Ų | 58.3 | 76% | 0.763 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.2 | -4.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S85 | S85-G87 PolarHBondContact O-N 2.95Š|
| 88 | L | 61.1 | Low | 66.8 | Low | 116 Ų | 116 | 61.7 Ų | 61.7 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | trans | -95.8 | 114.6 | 171.4 | -81.6 | 155.2 | 0 | 0 | 0 | 109.5 | P82 K90 | P82-L88 WeakPolarHBondContact CD-O 3.37Å; P82-L88 HydrophobicContact CG-CB 4.37Å; L88-K90 PolarHBondContact O-N 2.93Å | ||
| 89 | V | 61.4 | Low | 66.9 | Low | 71 Ų | 71 | 62.9 Ų | 62.9 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | trans | -77.9 | 118.3 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | E79 N91 | E79-V89 HydrophobicContact CB-CG1 4.16Å; E79-V89 HydrophobicContact CG-CG1 4.31Å; V89-N91 WeakPolarHBondContact CG1-O 3.35Å | ||
| 90 | K | 63.1 | Low | 67.2 | Low | 84 Ų | 84 | 62.2 Ų | 62.2 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | trans | -75.8 | -40.3 | 177.8 | -94.9 | 172.5 | 168.7 | 177.6 | 0 | 112.2 | T9 D34 V80 P82 L88 | T9-K90 HydrophobicContact CG2-CD 4.15Å; D34-K90 IonicContact OD1-NZ 2.78Å; D34-K90 PolarHBondContact OD1-NZ 3.45Å; D34-K90 IonicContact OD2-NZ 3.84Å; D34-K90 PolarHBondContact OD2-NZ 2.93Å; V80-K90 HydrophobicContact CB-CB 4.3Å; V80-K90 HydrophobicContact CG1-CB 4.14Å; V80-K90 PolarHBondContact O-N 3.35Å; P82-K90 HydrophobicContact CB-CD 4.15Å; P82-K90 HydrophobicContact CG-CD 3.68Å; P82-K90 HydrophobicContact CG-CG 3.76Å; L88-K90 PolarHBondContact O-N 2.93Å | ||
| 91 | N | 66.1 | Low | 67.7 | Low | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149.8 | 178.5 | -159.4 | -1.2 | 0 | 0 | 0 | 108.9 | S11 I13 V80 V89 | S11-N91 PolarHBondContact O-ND2 2.83Å; I13-N91 HydrophobicContact CD1-CB 4.39Å; V80-N91 HydrophobicContact CB-CB 4.45Å; V80-N91 HydrophobicContact CG2-CB 4.39Å; V80-N91 PolarHBondContact N-O 3.06Å; V89-N91 WeakPolarHBondContact CG1-O 3.35Å |
| 92 | S | 71.8 | Confident | 68.4 | Low | 56 Ų | 56 | 67.5 Ų | 67.5 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.5 | 172.9 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | V78 | V78-S92 VanDerWaalsContact O-CA 3.27Å; V78-S92 WeakPolarHBondContact O-CA 3.44Å |
| 93 | Q | 70.4 | Confident | 69.6 | Low | 78 Ų | 78 | 67.2 Ų | 67.2 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138 | 174.9 | -173.6 | 75.1 | -32.3 | 0 | 0 | 109.8 | I13 F15 T77 V78 | I13-Q93 HydrophobicContact CB-CB 4.07Å; I13-Q93 HydrophobicContact CD1-CB 4.13Å; I13-Q93 HydrophobicContact CG2-CB 4.42Å; F15-Q93 HydrophobicContact CD2-CG 4.05Å; F15-Q93 HydrophobicContact CE2-CB 3.91Å; F15-Q93 HydrophobicContact CE2-CG 3.09Å; F15-Q93 HydrophobicContact CZ-CB 3.61Å; F15-Q93 HydrophobicContact CZ-CG 3.37Å; T77-Q93 WeakPolarHBondContact CA-O 3.45Å; V78-Q93 PolarHBondContact N-O 2.79Å; V78-Q93 PolarHBondContact O-N 3.22Å |
| 94 | S | 70.3 | Confident | 70.9 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.9 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | Y76 T77 | Y76-S94 CarbonylContact O-C 3.51Å; Y76-S94 WeakPolarHBondContact O-CA 3.29Å; T77-S94 PolarHBondContact OG1-OG 3.28Å |
| 95 | V | 70.4 | Confident | 72.5 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 16% | 0.164 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.9 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | F15 V17 M26 F75 Y76 | F15-V95 HydrophobicContact CD2-CB 4.27Å; F15-V95 HydrophobicContact CE2-CB 4.08Å; V17-V95 HydrophobicContact CG2-CG2 4.12Å; M26-V95 HydrophobicContact SD-CB 4.49Å; M26-V95 HydrophobicContact SD-CG1 3.38Å; M26-V95 WeakPolarHBondContact SD-CG1 3.3Å; F75-V95 CarbonylContact C-O 3.54Å; F75-V95 WeakPolarHBondContact CA-O 3.32Å; Y76-V95 PolarHBondContact N-O 2.89Å; Y76-V95 PolarHBondContact O-N 2.79Å |
| 96 | E | 72.8 | Confident | 74.3 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | 173.4 | -167.2 | -173.5 | 180 | 0 | 0 | 110 | F75 K98 | F75-E96 HydrophobicContact CD1-CB 3.99Å; F75-E96 HydrophobicContact CD1-CG 4.44Å; F75-E96 HydrophobicContact CE1-CB 3.68Å; F75-E96 HydrophobicContact CE1-CG 4.06Å; F75-E96 HydrophobicContact CZ-CB 4.22Å; F75-E96 HydrophobicContact CZ-CG 4.11Å; E96-K98 VanDerWaalsContact CD-CE 3.46Å; E96-K98 HydrophobicContact CG-CG 4.34Å; E96-K98 VanDerWaalsContact OE1-CE 3.24Å; E96-K98 WeakPolarHBondContact OE1-CE 3.28Å; E96-K98 WeakPolarHBondContact OE2-CE 3.48Å |
| 97 | L | 72.8 | Confident | 76.2 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.2 | 166.1 | 173.2 | 52.9 | 0 | 0 | 0 | 108.9 | F24 I65 D72 A73 G74 Y76 V99 | F24-L97 HydrophobicContact CB-CD2 4.5Å; F24-L97 HydrophobicContact CD1-CD2 3.92Å; F24-L97 HydrophobicContact CD2-CD1 3.42Å; F24-L97 VanDerWaalsContact CD2-CD1 3.42Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CD2-CG 4.38Å; F24-L97 HydrophobicContact CE1-CD2 4.13Å; F24-L97 HydrophobicContact CE2-CB 4.45Å; F24-L97 HydrophobicContact CE2-CD1 3.58Å; F24-L97 HydrophobicContact CE2-CD2 4.44Å; F24-L97 HydrophobicContact CE2-CG 4.37Å; F24-L97 HydrophobicContact CG-CD1 3.95Å; F24-L97 HydrophobicContact CG-CD2 3.96Å; F24-L97 HydrophobicContact CZ-CB 4.35Å; F24-L97 HydrophobicContact CZ-CD1 4.23Å; F24-L97 HydrophobicContact CZ-CD2 4.39Å; I65-L97 HydrophobicContact CD1-CD2 4.3Å; D72-L97 HydrophobicContact CB-CD2 4.37Å; D72-L97 WeakPolarHBondContact O-CD2 3.35Å; A73-L97 CarbonylContact C-O 3.19Å; A73-L97 WeakPolarHBondContact CA-O 3.4Å; A73-L97 WeakPolarHBondContact CB-O 3.38Å; G74-L97 PolarHBondContact N-O 3.15Å; G74-L97 PolarHBondContact O-N 3.36Å; Y76-L97 HydrophobicContact CD2-CB 3.86Å; Y76-L97 HydrophobicContact CE2-CB 3.65Å; Y76-L97 HydrophobicContact CE2-CD2 3.77Å; Y76-L97 HydrophobicContact CE2-CG 4.3Å; L97-V99 HydrophobicContact CD1-CG2 4.1Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 HydrophobicContact CG-CG2 3.89Å |
| 98 | K | 73.1 | Confident | 78.2 | Confident | 100 Ų | 100 | 54 Ų | 54 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 128.9 | 167.3 | -63.1 | -170.2 | 176.7 | -166.7 | 0 | 109.9 | E96 F100 | E96-K98 VanDerWaalsContact CD-CE 3.46Å; E96-K98 HydrophobicContact CG-CG 4.34Å; E96-K98 VanDerWaalsContact OE1-CE 3.24Å; E96-K98 WeakPolarHBondContact OE1-CE 3.28Å; E96-K98 WeakPolarHBondContact OE2-CE 3.48Å; K98-F100 HydrophobicContact CB-CE2 3.75Å; K98-F100 HydrophobicContact CB-CZ 4.04Å; K98-F100 HydrophobicContact CD-CZ 4.35Å |
| 99 | V | 75.4 | Confident | 79.9 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | trans | -115.7 | 131.4 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | A68 Q69 L70 D72 A73 L97 | A68-V99 HydrophobicContact CB-CG1 4.4Å; Q69-V99 WeakPolarHBondContact O-CG1 3.15Å; L70-V99 HydrophobicContact CD2-CG1 4.45Å; L70-V99 WeakPolarHBondContact CD2-O 3.43Å; D72-V99 HydrophobicContact CB-CG2 4.44Å; A73-V99 HydrophobicContact CB-CB 4.34Å; A73-V99 HydrophobicContact CB-CG2 4.14Å; L97-V99 HydrophobicContact CD1-CG2 4.1Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 HydrophobicContact CG-CG2 3.89Å | ||
| 100 | F | 78.8 | Confident | 81.5 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | trans | -114 | 127.7 | -176.5 | -63.3 | -90.4 | 0 | 0 | 0 | 111.1 | K98 T130 E131 N175 N176 V177 | K98-F100 HydrophobicContact CB-CE2 3.75Å; K98-F100 HydrophobicContact CB-CZ 4.04Å; K98-F100 HydrophobicContact CD-CZ 4.35Å; F100-T130 WeakPolarHBondContact CA-OG1 3.2Å; F100-E131 HydrophobicContact CE1-CB 4.07Å; F100-E131 HydrophobicContact CE1-CG 4.29Å; F100-E131 WeakPolarHBondContact CE1-OE2 3.25Å; F100-N175 HydrophobicContact CD1-CB 4.32Å; F100-N176 HydrophobicContact CD2-CB 3.98Å; F100-N176 HydrophobicContact CE1-CB 4.39Å; F100-N176 HydrophobicContact CE2-CB 3.8Å; F100-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F100-N176 HydrophobicContact CG-CB 4.39Å; F100-N176 HydrophobicContact CZ-CB 4.03Å; F100-N176 WeakPolarHBondContact CZ-ND2 3.28Å; F100-V177 HydrophobicContact CB-CB 4.43Å; F100-V177 HydrophobicContact CB-CG1 3.97Å; F100-V177 HydrophobicContact CB-CG2 3.58Å; F100-V177 HydrophobicContact CD2-CG1 4.22Å; F100-V177 HydrophobicContact CG-CG1 4.44Å | ||
| 101 | D | 81 | Confident | 82.9 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.2 | 161.6 | -172.2 | 39.2 | 0 | 0 | 0 | 108.8 | L70 G129 T130 N175 | L70-D101 HydrophobicContact CD1-CB 4.33Å; L70-D101 HydrophobicContact CD2-CB 4.22Å; D101-G129 VanDerWaalsContact O-CA 3.25Å; D101-G129 WeakPolarHBondContact O-CA 3.4Å; D101-G129 PolarHBondContact OD2-N 2.94Å; D101-T130 HydrophobicContact CB-CG2 3.93Å; D101-T130 PolarHBondContact N-OG1 2.88Å; D101-T130 PolarHBondContact O-N 2.78Å; D101-N175 PolarHBondContact O-ND2 3.26Å |
| 102 | P | 83.3 | Confident | 83.5 | Confident | 69 Ų | 69 | 51 Ų | 51 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 152.8 | 177 | 28 | -36.1 | 0 | 0 | 0 | 112.8 | A104 G129 V177 S178 | P102-A104 PolarHBondContact O-N 3.31Å; P102-G129 PolarHBondContact O-N 2.87Å; P102-V177 HydrophobicContact CB-CG2 4.48Å; P102-S178 WeakPolarHBondContact CA-OG 3.15Å |
| 103 | V | 89.9 | Confident | 84 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 117.2 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | V106 W126 V132 A173 S178 Q180 | V103-V106 HydrophobicContact CG1-CG2 3.84Å; V103-W126 HydrophobicContact CG1-CB 4.2Å; V103-V132 HydrophobicContact CG2-CG1 3.98Å; V103-V132 HydrophobicContact CG2-CG2 3.83Å; V103-A173 HydrophobicContact CG1-CB 4.38Å; V103-S178 PolarHBondContact N-OG 3.17Å; V103-Q180 HydrophobicContact CB-CB 4.47Å; V103-Q180 HydrophobicContact CB-CG 4.1Å; V103-Q180 HydrophobicContact CG1-CB 3.95Å; V103-Q180 HydrophobicContact CG1-CG 3.95Å; V103-Q180 WeakPolarHBondContact O-CG 3.49Å |
| 104 | A | 90.4 | Very high | 85.2 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -30.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P102 T127 | P102-A104 PolarHBondContact O-N 3.31Å; A104-T127 WeakPolarHBondContact CB-O 3.4Å; A104-T127 PolarHBondContact N-O 3.07Å |
| 105 | G | 94.8 | Very high | 86.4 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 154.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W126 T127 | G105-W126 CarbonylContact O-C 3.49Å; G105-W126 WeakPolarHBondContact O-CA 3.17Å; G105-W126 VanDerWaalsContact O-CB 3.31Å; G105-W126 WeakPolarHBondContact O-CB 3.41Å; G105-T127 PolarHBondContact N-OG1 2.79Å; G105-T127 PolarHBondContact O-N 3.25Å |
| 106 | V | 98.3 | Very high | 87.6 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.4 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | V103 T125 W126 A173 Q180 S182 | V103-V106 HydrophobicContact CG1-CG2 3.84Å; V106-T125 WeakPolarHBondContact CA-O 3.42Å; V106-W126 HydrophobicContact CG2-CB 4.11Å; V106-A173 HydrophobicContact CG1-CB 4.42Å; V106-A173 HydrophobicContact CG2-CB 3.51Å; V106-Q180 HydrophobicContact CB-CB 4.29Å; V106-Q180 HydrophobicContact CG2-CB 3.45Å; V106-Q180 VanDerWaalsContact CG2-CB 3.45Å; V106-S182 WeakPolarHBondContact O-CB 3.3Å |
| 107 | S | 98 | Very high | 88.6 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.4 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | T125 | S107-T125 PolarHBondContact N-O 3.22Å; S107-T125 PolarHBondContact O-N 3.33Å; S107-T125 PolarHBondContact O-OG1 3.31Å |
| 108 | L | 98.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.2 | 170.4 | 177.7 | 58.1 | 0 | 0 | 0 | 110.1 | V110 C124 W136 Y169 C171 S182 K184 | L108-V110 HydrophobicContact CD1-CG2 4.19Å; L108-V110 HydrophobicContact CD2-CG2 4.03Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; L108-C124 HydrophobicContact CD1-CB 4.49Å; L108-W136 HydrophobicContact CD1-CH2 3.41Å; L108-W136 VanDerWaalsContact CD1-CH2 3.41Å; L108-W136 HydrophobicContact CD1-CZ3 3.36Å; L108-Y169 WeakPolarHBondContact CD2-O 3.46Å; L108-C171 HydrophobicContact CD1-CB 4.33Å; L108-S182 PolarHBondContact N-OG 3.05Å; L108-S182 VanDerWaalsContact N-OG 3.14Å; L108-K184 HydrophobicContact CD2-CB 3.98Å; L108-K184 HydrophobicContact CG-CB 4.31Å; L108-K184 WeakPolarHBondContact O-CD 3.46Å; L108-K184 WeakPolarHBondContact O-CE 3.19Å; L108-K184 PolarHBondContact O-NZ 2.88Å |
| 109 | T | 97.9 | Very high | 90.7 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | L122 S123 | T109-L122 WeakPolarHBondContact O-CA 3.33Å; T109-S123 WeakPolarHBondContact CB-OG 3.16Å; T109-S123 PolarHBondContact N-O 3.22Å; T109-S123 PolarHBondContact O-N 2.96Å |
| 110 | V | 95.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | trans | -118.6 | 135.5 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | L108 L122 K184 L186 | L108-V110 HydrophobicContact CD1-CG2 4.19Å; L108-V110 HydrophobicContact CD2-CG2 4.03Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; V110-L122 HydrophobicContact CB-CG 4.45Å; V110-L122 HydrophobicContact CG1-CD2 4.15Å; V110-L122 HydrophobicContact CG1-CG 4.16Å; V110-L122 HydrophobicContact CG2-CD2 3.79Å; V110-L122 HydrophobicContact CG2-CG 4.1Å; V110-K184 HydrophobicContact CB-CB 4.27Å; V110-K184 HydrophobicContact CG2-CB 3.55Å; V110-K184 HydrophobicContact CG2-CD 4.24Å; V110-K184 HydrophobicContact CG2-CG 4.47Å; V110-L186 HydrophobicContact CG1-CB 3.84Å; V110-L186 HydrophobicContact CG1-CD1 3.61Å; V110-L186 HydrophobicContact CG1-CG 4.31Å | ||
| 111 | P | 91.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -56 | 145.2 | 171.6 | -26 | 37.1 | 0 | 0 | 0 | 110.8 | A113 V120 S121 | P111-A113 PolarHBondContact O-N 3.47Å; P111-A113 VanDerWaalsContact O-N 3.12Å; P111-V120 HydrophobicContact CB-CG2 4.49Å; P111-V120 HydrophobicContact CG-CG2 3.81Å; P111-S121 WeakPolarHBondContact CD-O 3.47Å; P111-S121 WeakPolarHBondContact CG-O 3.34Å | ||
| 112 | S | 79.1 | Confident | 93.4 | Very high | 122 Ų | 122 | 50.7 Ų | 50.7 | 85% | 0.853 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -57.6 | -28.8 | 178.2 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 113 | A | 82.8 | Confident | 94.1 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | trans | -157.6 | 151.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P111 Y189 | P111-A113 PolarHBondContact O-N 3.47Å; P111-A113 VanDerWaalsContact O-N 3.12Å; A113-Y189 HydrophobicContact CB-CD2 3.34Å; A113-Y189 HydrophobicContact CB-CE2 3.03Å; A113-Y189 HydrophobicContact CB-CG 4.26Å | ||
| 114 | A | 94.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 161.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | V120 L186 T187 V188 Y189 | A114-V120 HydrophobicContact CB-CB 3.87Å; A114-V120 HydrophobicContact CB-CG1 4.28Å; A114-V120 HydrophobicContact CB-CG2 3.79Å; A114-L186 HydrophobicContact CB-CD1 4.03Å; A114-T187 PolarHBondContact N-O 2.85Å; A114-V188 HydrophobicContact CB-CG2 4.2Å; A114-V188 CarbonylContact O-C 3.54Å; A114-V188 WeakPolarHBondContact O-CA 3.41Å; A114-Y189 PolarHBondContact O-N 3.28Å |
| 115 | V | 95.1 | Very high | 94.8 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.4 | 174.2 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | Q117 K118 Y189 T262 | V115-Q117 PolarHBondContact O-N 2.84Å; V115-K118 HydrophobicContact CB-CB 4.25Å; V115-K118 HydrophobicContact CB-CG 3.87Å; V115-K118 HydrophobicContact CG1-CG 4Å; V115-K118 WeakPolarHBondContact O-CB 3.2Å; V115-K118 PolarHBondContact O-N 2.04Å; V115-Y189 CarbonylContact C-O 3.54Å; V115-Y189 WeakPolarHBondContact CA-O 3.45Å; V115-T262 HydrophobicContact CG1-CG2 3.82Å |
| 116 | E | 95.4 | Very high | 95 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 137 | 176.7 | -169.9 | 179.7 | -148.4 | 0 | 0 | 110.2 | K118 R163 V188 Y189 Y190 K193 | E116-K118 PolarHBondContact O-N 2.91Å; E116-R163 WeakPolarHBondContact OE1-CG 3.35Å; E116-R163 IonicContact OE1-CZ 3.85Å; E116-R163 IonicContact OE1-NE 2.96Å; E116-R163 PolarHBondContact OE1-NE 2.85Å; E116-R163 IonicContact OE1-NH2 3.84Å; E116-R163 IonicContact OE2-CZ 3.6Å; E116-R163 IonicContact OE2-NE 3.26Å; E116-R163 PolarHBondContact OE2-NE 2.96Å; E116-R163 IonicContact OE2-NH2 2.99Å; E116-R163 PolarHBondContact OE2-NH2 2.92Å; E116-V188 HydrophobicContact CB-CG1 4.44Å; E116-Y189 PolarHBondContact N-O 3.06Å; E116-Y190 WeakPolarHBondContact OE2-CB 3.38Å; E116-K193 IonicContact OE1-NZ 3.7Å |
| 117 | Q | 94.4 | Very high | 94.9 | Very high | 121 Ų | 121 | 54.5 Ų | 54.5 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 6.9 | -174.6 | -50.6 | -57 | -41.9 | 0 | 0 | 116.3 | V115 A161 | V115-Q117 PolarHBondContact O-N 2.84Å; Q117-A161 PolarHBondContact N-O 2.91Å |
| 118 | K | 94.8 | Very high | 94.6 | Very high | 130 Ų | 130 | 53.7 Ų | 53.7 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -104.9 | 167.9 | 171.2 | -57.7 | -60.4 | -176.3 | -179.7 | 0 | 111.1 | V115 E116 A161 | V115-K118 HydrophobicContact CB-CB 4.25Å; V115-K118 HydrophobicContact CB-CG 3.87Å; V115-K118 HydrophobicContact CG1-CG 4Å; V115-K118 WeakPolarHBondContact O-CB 3.2Å; V115-K118 PolarHBondContact O-N 2.04Å; E116-K118 PolarHBondContact O-N 2.91Å; K118-A161 WeakPolarHBondContact O-CB 3.11Å; K118-A161 PolarHBondContact O-N 3.11Å |
| 119 | N | 95.9 | Very high | 94 | Very high | 121 Ų | 121 | 54.8 Ų | 54.8 | 65% | 0.647 | 33% | 0.325 | S | S | * | . | trans | -77.8 | 145.5 | 172.5 | 63.5 | -15 | 0 | 0 | 0 | 110.3 | N159 | N119-N159 HydrophobicContact CB-CB 4.3Š| ||
| 120 | V | 96.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.5 | 168.9 | 63.5 | 0 | 0 | 0 | 0 | 108.7 | P111 A114 L122 V157 I158 A161 L186 | P111-V120 HydrophobicContact CB-CG2 4.49Å; P111-V120 HydrophobicContact CG-CG2 3.81Å; A114-V120 HydrophobicContact CB-CB 3.87Å; A114-V120 HydrophobicContact CB-CG1 4.28Å; A114-V120 HydrophobicContact CB-CG2 3.79Å; V120-L122 HydrophobicContact CG2-CD1 3.96Å; V120-V157 WeakPolarHBondContact O-CA 3.33Å; V120-I158 HydrophobicContact CG1-CB 3.71Å; V120-I158 HydrophobicContact CG1-CD1 4.25Å; V120-I158 HydrophobicContact CG1-CG1 4.28Å; V120-I158 PolarHBondContact N-O 2.85Å; V120-I158 PolarHBondContact O-N 3.22Å; V120-A161 HydrophobicContact CG1-CB 4.15Å; V120-L186 HydrophobicContact CG1-CD2 4.5Å; V120-L186 HydrophobicContact CG2-CD1 4.17Å; V120-L186 HydrophobicContact CG2-CD2 4.49Å |
| 121 | S | 97.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.9 | 178.2 | -176 | 0 | 0 | 0 | 0 | 109.1 | P111 L156 | P111-S121 WeakPolarHBondContact CD-O 3.47Å; P111-S121 WeakPolarHBondContact CG-O 3.34Å; S121-L156 WeakPolarHBondContact CA-O 3.29Å |
| 122 | L | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.6 | 172.4 | -71.7 | 70 | 0 | 0 | 0 | 107.3 | T109 V110 V120 W136 F155 L156 Y169 L186 | T109-L122 WeakPolarHBondContact O-CA 3.33Å; V110-L122 HydrophobicContact CB-CG 4.45Å; V110-L122 HydrophobicContact CG1-CD2 4.15Å; V110-L122 HydrophobicContact CG1-CG 4.16Å; V110-L122 HydrophobicContact CG2-CD2 3.79Å; V110-L122 HydrophobicContact CG2-CG 4.1Å; V120-L122 HydrophobicContact CG2-CD1 3.96Å; L122-W136 HydrophobicContact CB-CH2 3.81Å; L122-W136 HydrophobicContact CB-CZ3 3.93Å; L122-W136 HydrophobicContact CD2-CZ3 4.22Å; L122-F155 WeakPolarHBondContact O-CA 3.48Å; L122-L156 HydrophobicContact CB-CB 4.34Å; L122-L156 HydrophobicContact CD2-CD2 4.33Å; L122-L156 PolarHBondContact N-O 3.39Å; L122-L156 PolarHBondContact O-N 2.84Å; L122-Y169 HydrophobicContact CD2-CD1 3.73Å; L122-Y169 HydrophobicContact CD2-CD2 4.1Å; L122-Y169 HydrophobicContact CD2-CE1 4.32Å; L122-Y169 HydrophobicContact CD2-CG 3.59Å; L122-L186 HydrophobicContact CD1-CD2 4.41Å |
| 123 | S | 97.9 | Very high | 94 | Very high | 27 Ų | 27 | 56 Ų | 56 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.6 | 177.3 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | T109 G154 | T109-S123 WeakPolarHBondContact CB-OG 3.16Å; T109-S123 PolarHBondContact N-O 3.22Å; T109-S123 PolarHBondContact O-N 2.96Å; S123-G154 CarbonylContact C-O 3.52Å; S123-G154 WeakPolarHBondContact CA-O 3.39Å |
| 124 | C | 97.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.9 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | L108 W126 W136 G154 C171 | L108-C124 HydrophobicContact CD1-CB 4.49Å; C124-W126 WeakPolarHBondContact O-CZ3 3.39Å; C124-W136 HydrophobicContact CB-CH2 3.74Å; C124-W136 HydrophobicContact CB-CZ2 3.5Å; C124-W136 VanDerWaalsContact CB-CZ2 3.5Å; C124-G154 PolarHBondContact N-O 3.37Å; C124-C171 HydrophobicContact CB-CB 3.53Å; C124-C171 WeakPolarHBondContact CB-SG 3.43Å; C124-C171 WeakPolarHBondContact SG-CB 3.19Å; C124-C171 CovalentContact SG-SG 2.01Å; C124-C171 PolarHBondContact SG-SG 3.02Å |
| 125 | T | 97.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 61 Ų | 61 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.8 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 109.6 | V106 S107 | V106-T125 WeakPolarHBondContact CA-O 3.42Å; S107-T125 PolarHBondContact N-O 3.22Å; S107-T125 PolarHBondContact O-N 3.33Å; S107-T125 PolarHBondContact O-OG1 3.31Å |
| 126 | W | 97.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 31% | 0.307 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 158.1 | -179.9 | 52.7 | 88.5 | 0 | 0 | 0 | 111 | V103 G105 V106 C124 V132 A134 A173 | V103-W126 HydrophobicContact CG1-CB 4.2Å; G105-W126 CarbonylContact O-C 3.49Å; G105-W126 WeakPolarHBondContact O-CA 3.17Å; G105-W126 VanDerWaalsContact O-CB 3.31Å; G105-W126 WeakPolarHBondContact O-CB 3.41Å; V106-W126 HydrophobicContact CG2-CB 4.11Å; C124-W126 WeakPolarHBondContact O-CZ3 3.39Å; W126-V132 HydrophobicContact CD2-CG1 4.03Å; W126-V132 HydrophobicContact CG-CG1 4.14Å; W126-V132 HydrophobicContact CZ2-CB 4.3Å; W126-V132 HydrophobicContact CZ2-CG1 4.18Å; W126-A134 HydrophobicContact CH2-CB 4.18Å; W126-A134 HydrophobicContact CZ3-CB 3.88Å; W126-A173 HydrophobicContact CB-CB 4.04Å; W126-A173 HydrophobicContact CD2-CB 3.98Å; W126-A173 HydrophobicContact CE3-CB 3.86Å; W126-A173 HydrophobicContact CG-CB 4.09Å |
| 127 | T | 96.6 | Very high | 95 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.4 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | A104 G105 | A104-T127 WeakPolarHBondContact CB-O 3.4Å; A104-T127 PolarHBondContact N-O 3.07Å; G105-T127 PolarHBondContact N-OG1 2.79Å; G105-T127 PolarHBondContact O-N 3.25Å |
| 128 | G | 90.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 63 | -171.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 129 | G | 86.7 | Confident | 95.3 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | trans | 92.6 | 144.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | D101 P102 | D101-G129 VanDerWaalsContact O-CA 3.25Å; D101-G129 WeakPolarHBondContact O-CA 3.4Å; D101-G129 PolarHBondContact OD2-N 2.94Å; P102-G129 PolarHBondContact O-N 2.87Å | ||
| 130 | T | 86 | Confident | 95.3 | Very high | 41 Ų | 41 | 54.2 Ų | 54.2 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -120.1 | 144 | 172 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | L70 F100 D101 V132 N175 | L70-T130 HydrophobicContact CD2-CG2 3.99Å; F100-T130 WeakPolarHBondContact CA-OG1 3.2Å; D101-T130 HydrophobicContact CB-CG2 3.93Å; D101-T130 PolarHBondContact N-OG1 2.88Å; D101-T130 PolarHBondContact O-N 2.78Å; T130-V132 PolarHBondContact O-N 2.86Å; T130-V132 VanDerWaalsContact O-N 3.14Å; T130-N175 VanDerWaalsContact O-CB 3.28Å; T130-N175 WeakPolarHBondContact O-CB 3.45Å; T130-N175 PolarHBondContact O-ND2 3.48Å |
| 131 | E | 88.5 | Confident | 95.3 | Very high | 137 Ų | 137 | 58.5 Ų | 58.5 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 48.7 | 39 | -178 | -57.5 | -173.3 | 174.7 | 0 | 0 | 113.4 | F100 | F100-E131 HydrophobicContact CE1-CB 4.07Å; F100-E131 HydrophobicContact CE1-CG 4.29Å; F100-E131 WeakPolarHBondContact CE1-OE2 3.25Å |
| 132 | V | 92.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | trans | -73.5 | 135.4 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | V103 W126 T130 A173 | V103-V132 HydrophobicContact CG2-CG1 3.98Å; V103-V132 HydrophobicContact CG2-CG2 3.83Å; W126-V132 HydrophobicContact CD2-CG1 4.03Å; W126-V132 HydrophobicContact CG-CG1 4.14Å; W126-V132 HydrophobicContact CZ2-CB 4.3Å; W126-V132 HydrophobicContact CZ2-CG1 4.18Å; T130-V132 PolarHBondContact O-N 2.86Å; T130-V132 VanDerWaalsContact O-N 3.14Å; V132-A173 HydrophobicContact CG1-CB 3.79Å | ||
| 133 | T | 95.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.4 | 172.4 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | A173 S174 | T133-A173 CarbonylContact O-C 3.58Å; T133-A173 WeakPolarHBondContact O-CA 3.33Å; T133-S174 PolarHBondContact N-O 2.68Å; T133-S174 PolarHBondContact O-N 3.03Å; T133-S174 PolarHBondContact OG1-O 3.12Å |
| 134 | A | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | W126 T172 | W126-A134 HydrophobicContact CH2-CB 4.18Å; W126-A134 HydrophobicContact CZ3-CB 3.88Å; A134-T172 CarbonylContact C-O 3.47Å; A134-T172 WeakPolarHBondContact CA-O 3.33Å |
| 135 | Q | 96.8 | Very high | 95.1 | Very high | 112 Ų | 112 | 67.8 Ų | 67.8 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.5 | 175.1 | -63.1 | -176.2 | -0.7 | 0 | 0 | 110.2 | C171 T172 | Q135-C171 CarbonylContact O-C 3.57Å; Q135-C171 WeakPolarHBondContact O-CA 3.5Å; Q135-T172 PolarHBondContact N-O 3.23Å; Q135-T172 PolarHBondContact O-N 2.81Å |
| 136 | W | 98.2 | Very high | 95 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.3 | -175.7 | -69.2 | 90.3 | 0 | 0 | 0 | 111.8 | L108 L122 C124 I143 I151 G154 L156 S170 C171 | L108-W136 HydrophobicContact CD1-CH2 3.41Å; L108-W136 VanDerWaalsContact CD1-CH2 3.41Å; L108-W136 HydrophobicContact CD1-CZ3 3.36Å; L122-W136 HydrophobicContact CB-CH2 3.81Å; L122-W136 HydrophobicContact CB-CZ3 3.93Å; L122-W136 HydrophobicContact CD2-CZ3 4.22Å; C124-W136 HydrophobicContact CB-CH2 3.74Å; C124-W136 HydrophobicContact CB-CZ2 3.5Å; C124-W136 VanDerWaalsContact CB-CZ2 3.5Å; W136-I143 HydrophobicContact CB-CB 4.38Å; W136-I143 HydrophobicContact CB-CD1 4.1Å; W136-I143 HydrophobicContact CB-CG1 4.44Å; W136-I143 PolarHBondContact O-N 3.36Å; W136-I151 HydrophobicContact CB-CD1 4.29Å; W136-I151 HydrophobicContact CG-CD1 4.49Å; W136-G154 WeakPolarHBondContact CZ2-O 3.49Å; W136-L156 HydrophobicContact CD2-CB 3.85Å; W136-L156 HydrophobicContact CD2-CD2 4.22Å; W136-L156 HydrophobicContact CE3-CB 4.05Å; W136-L156 HydrophobicContact CE3-CD2 3.84Å; W136-L156 HydrophobicContact CG-CB 4.41Å; W136-L156 HydrophobicContact CH2-CB 4.07Å; W136-L156 HydrophobicContact CZ2-CB 3.9Å; W136-L156 HydrophobicContact CZ3-CB 4.14Å; W136-L156 HydrophobicContact CZ3-CD2 4.21Å; W136-S170 WeakPolarHBondContact CA-O 3.36Å; W136-C171 HydrophobicContact CD2-CB 4.29Å; W136-C171 HydrophobicContact CE3-CB 4.09Å; W136-C171 HydrophobicContact CH2-CB 4.23Å; W136-C171 HydrophobicContact CZ2-CB 4.4Å; W136-C171 HydrophobicContact CZ3-CB 4.08Å |
| 137 | K | 98.1 | Very high | 94.9 | Very high | 82 Ų | 82 | 69.8 Ų | 69.8 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.4 | 170.1 | -58.3 | 179 | 174.7 | -178.1 | 0 | 110.9 | T141 Y169 S170 | K137-T141 CarbonylContact C-O 3.58Å; K137-T141 WeakPolarHBondContact CA-O 3.48Å; K137-T141 WeakPolarHBondContact CB-O 3.34Å; K137-Y169 CarbonylContact O-C 3.57Å; K137-Y169 WeakPolarHBondContact O-CA 3.36Å; K137-S170 WeakPolarHBondContact CB-OG 3.23Å; K137-S170 PolarHBondContact N-O 3.28Å; K137-S170 PolarHBondContact O-N 3.09Å |
| 138 | K | 97.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 19% | 0.191 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.4 | 167.2 | 179.8 | -174.3 | -174.3 | -75.1 | 0 | 108.2 | S140 T141 I143 D164 D165 A166 E168 Y169 | K138-S140 PolarHBondContact O-N 3.24Å; K138-T141 PolarHBondContact N-O 2.83Å; K138-T141 WeakPolarHBondContact O-CA 3.49Å; K138-T141 WeakPolarHBondContact O-CB 3.43Å; K138-T141 PolarHBondContact O-N 3.42Å; K138-I143 HydrophobicContact CB-CD1 3.93Å; K138-I143 HydrophobicContact CB-CG1 3.95Å; K138-D164 WeakPolarHBondContact CE-O 3.05Å; K138-D164 PolarHBondContact NZ-O 3.03Å; K138-D165 WeakPolarHBondContact CE-O 3.17Å; K138-A166 VanDerWaalsContact CE-O 3.22Å; K138-A166 WeakPolarHBondContact CE-O 3.42Å; K138-A166 PolarHBondContact NZ-O 3.39Å; K138-E168 CarbonylContact C-O 3.55Å; K138-E168 WeakPolarHBondContact CA-O 3.49Å; K138-Y169 HydrophobicContact CB-CD1 4.38Å; K138-Y169 HydrophobicContact CB-CE1 4.12Å; K138-Y169 HydrophobicContact CD-CE1 4.38Å; K138-Y169 HydrophobicContact CD-CE2 4.44Å; K138-Y169 HydrophobicContact CG-CE1 4.26Å; K138-Y169 HydrophobicContact CG-CE2 4.27Å |
| 139 | D | 97.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 43% | 0.428 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 49.1 | 179.5 | -52 | -44.6 | 0 | 0 | 0 | 111.4 | T141 E168 | D139-T141 PolarHBondContact O-N 2.88Å; D139-T141 VanDerWaalsContact O-N 3.11Å; D139-E168 PolarHBondContact N-O 2.9Å; D139-E168 PolarHBondContact OD1-N 2.91Å |
| 140 | S | 95.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 68.6 Ų | 68.6 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -0.7 | -175.1 | -55.9 | 0 | 0 | 0 | 0 | 117.2 | K138 | K138-S140 PolarHBondContact O-N 3.24Š|
| 141 | T | 97.6 | Very high | 96.3 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.2 | -179.7 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | K137 K138 D139 I143 | K137-T141 CarbonylContact C-O 3.58Å; K137-T141 WeakPolarHBondContact CA-O 3.48Å; K137-T141 WeakPolarHBondContact CB-O 3.34Å; K138-T141 PolarHBondContact N-O 2.83Å; K138-T141 WeakPolarHBondContact O-CA 3.49Å; K138-T141 WeakPolarHBondContact O-CB 3.43Å; K138-T141 PolarHBondContact O-N 3.42Å; D139-T141 PolarHBondContact O-N 2.88Å; D139-T141 VanDerWaalsContact O-N 3.11Å; T141-I143 PolarHBondContact O-N 2.82Å |
| 142 | A | 97.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 56% | 0.562 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T144 | A142-T144 PolarHBondContact O-N 2.76Å |
| 143 | I | 96.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.138 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 123 | 178.7 | -57.9 | -179.5 | 0 | 0 | 0 | 108.5 | W136 K138 T141 I149 I151 L156 Y169 | W136-I143 HydrophobicContact CB-CB 4.38Å; W136-I143 HydrophobicContact CB-CD1 4.1Å; W136-I143 HydrophobicContact CB-CG1 4.44Å; W136-I143 PolarHBondContact O-N 3.36Å; K138-I143 HydrophobicContact CB-CD1 3.93Å; K138-I143 HydrophobicContact CB-CG1 3.95Å; T141-I143 PolarHBondContact O-N 2.82Å; I143-I149 HydrophobicContact CG2-CD1 4.29Å; I143-I149 HydrophobicContact CG2-CG2 3.78Å; I143-I151 HydrophobicContact CB-CD1 4.42Å; I143-I151 HydrophobicContact CG2-CD1 4.3Å; I143-L156 HydrophobicContact CD1-CD1 4.32Å; I143-L156 HydrophobicContact CD1-CD2 3.69Å; I143-L156 HydrophobicContact CG2-CD1 4.16Å; I143-Y169 HydrophobicContact CD1-CD1 3.79Å; I143-Y169 HydrophobicContact CD1-CE1 3.66Å |
| 144 | T | 95.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 126.3 | 172.3 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | A142 | A142-T144 PolarHBondContact O-N 2.76Š|
| 145 | P | 96 | Very high | 96.4 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 51% | 0.506 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 141.7 | 173.1 | -26 | 35.2 | 0 | 0 | 0 | 112 | I149 I151 | P145-I149 VanDerWaalsContact CA-O 3.28Å; P145-I149 WeakPolarHBondContact CA-O 3.41Å; P145-I149 WeakPolarHBondContact CB-O 3.48Å; P145-I151 HydrophobicContact CG-CB 4.33Å; P145-I151 HydrophobicContact CG-CD1 4.04Å; P145-I151 HydrophobicContact CG-CG1 4.21Å |
| 146 | D | 95.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | trans | -139.5 | -167.9 | 177.8 | 74.5 | 12.5 | 0 | 0 | 0 | 109.9 | R148 I149 | D146-R148 PolarHBondContact O-N 2.82Å; D146-R148 VanDerWaalsContact O-N 3.15Å; D146-R148 WeakPolarHBondContact OD1-CA 3.27Å; D146-R148 WeakPolarHBondContact OD1-CB 3.16Å; D146-R148 PolarHBondContact OD1-N 2.82Å; D146-R148 IonicContact OD2-CZ 3.53Å; D146-R148 IonicContact OD2-NE 3.12Å; D146-R148 IonicContact OD2-NH2 3.9Å; D146-R148 PolarHBondContact OD2-NH2 2.82Å; D146-R148 VanDerWaalsContact OD2-NH2 3.12Å; D146-I149 PolarHBondContact N-O 2.96Å; D146-I149 PolarHBondContact O-N 2.84Å; D146-I149 PolarHBondContact OD1-N 3.3Å | ||
| 147 | S | 96.4 | Very high | 96.5 | Very high | 126 Ų | 126 | 65.8 Ų | 65.8 | 88% | 0.881 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -63.8 | -16 | 178.8 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 148 | R | 96.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 62 Ų | 62 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -109.7 | -28 | 177.5 | -58.1 | 179.5 | -62.5 | 110.6 | 13.8 | 113.4 | D146 I158 N159 P160 R162 D165 | D146-R148 PolarHBondContact O-N 2.82Å; D146-R148 VanDerWaalsContact O-N 3.15Å; D146-R148 WeakPolarHBondContact OD1-CA 3.27Å; D146-R148 WeakPolarHBondContact OD1-CB 3.16Å; D146-R148 PolarHBondContact OD1-N 2.82Å; D146-R148 IonicContact OD2-CZ 3.53Å; D146-R148 IonicContact OD2-NE 3.12Å; D146-R148 IonicContact OD2-NH2 3.9Å; D146-R148 PolarHBondContact OD2-NH2 2.82Å; D146-R148 VanDerWaalsContact OD2-NH2 3.12Å; R148-I158 WeakPolarHBondContact O-CA 3.35Å; R148-N159 VanDerWaalsContact CA-O 3.25Å; R148-N159 WeakPolarHBondContact CA-O 3.41Å; R148-N159 VanDerWaalsContact CB-O 3.28Å; R148-N159 WeakPolarHBondContact CB-O 3.34Å; R148-N159 PolarHBondContact O-N 2.81Å; R148-P160 PolarHBondContact NH1-O 2.94Å; R148-R162 VanDerWaalsContact CD-CZ 3.49Å; R148-D165 IonicContact NH1-OD1 2.87Å; R148-D165 IonicContact NH1-OD2 3.15Å; R148-D165 PolarHBondContact NH1-OD2 3.18Å |
| 149 | I | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116 | -172.4 | -58.9 | 179.4 | 0 | 0 | 0 | 109.2 | I143 P145 D146 L156 V157 I158 | I143-I149 HydrophobicContact CG2-CD1 4.29Å; I143-I149 HydrophobicContact CG2-CG2 3.78Å; P145-I149 VanDerWaalsContact CA-O 3.28Å; P145-I149 WeakPolarHBondContact CA-O 3.41Å; P145-I149 WeakPolarHBondContact CB-O 3.48Å; D146-I149 PolarHBondContact N-O 2.96Å; D146-I149 PolarHBondContact O-N 2.84Å; D146-I149 PolarHBondContact OD1-N 3.3Å; I149-L156 HydrophobicContact CG2-CD1 3.59Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; I149-I158 HydrophobicContact CG1-CG1 4.31Å; I149-I158 HydrophobicContact CG1-CG2 4.29Å |
| 150 | T | 97.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.2 | 176.1 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | V157 | T150-V157 PolarHBondContact N-O 2.84Å; T150-V157 PolarHBondContact O-N 3.11Å |
| 151 | I | 96.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.3 | 172.6 | -62 | 175.1 | 0 | 0 | 0 | 108.2 | W136 I143 P145 F155 L156 | W136-I151 HydrophobicContact CB-CD1 4.29Å; W136-I151 HydrophobicContact CG-CD1 4.49Å; I143-I151 HydrophobicContact CB-CD1 4.42Å; I143-I151 HydrophobicContact CG2-CD1 4.3Å; P145-I151 HydrophobicContact CG-CB 4.33Å; P145-I151 HydrophobicContact CG-CD1 4.04Å; P145-I151 HydrophobicContact CG-CG1 4.21Å; I151-F155 WeakPolarHBondContact CA-O 3.22Å; I151-L156 HydrophobicContact CD1-CD1 3.98Å; I151-L156 HydrophobicContact CG1-CD1 3.49Å; I151-L156 VanDerWaalsContact CG1-CD1 3.49Å |
| 152 | S | 94.3 | Very high | 96.5 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 109 | 176 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | G154 F155 | S152-G154 PolarHBondContact O-N 3.26Å; S152-F155 PolarHBondContact N-O 2.93Å; S152-F155 WeakPolarHBondContact O-CB 3.24Å; S152-F155 PolarHBondContact O-N 3.11Å |
| 153 | G | 90.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -125.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F155 | G153-F155 VanDerWaalsContact C-N 3.26Å; G153-F155 PolarHBondContact O-N 2.99Å |
| 154 | G | 95.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 63 Ų | 63 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 15.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S123 C124 W136 S152 | S123-G154 CarbonylContact C-O 3.52Å; S123-G154 WeakPolarHBondContact CA-O 3.39Å; C124-G154 PolarHBondContact N-O 3.37Å; W136-G154 WeakPolarHBondContact CZ2-O 3.49Å; S152-G154 PolarHBondContact O-N 3.26Å |
| 155 | F | 97.2 | Very high | 96.4 | Very high | 115 Ų | 115 | 58.3 Ų | 58.3 | 50% | 0.504 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136 | -179 | -63.1 | -85.3 | 0 | 0 | 0 | 112.3 | L122 I151 S152 G153 | L122-F155 WeakPolarHBondContact O-CA 3.48Å; I151-F155 WeakPolarHBondContact CA-O 3.22Å; S152-F155 PolarHBondContact N-O 2.93Å; S152-F155 WeakPolarHBondContact O-CB 3.24Å; S152-F155 PolarHBondContact O-N 3.11Å; G153-F155 VanDerWaalsContact C-N 3.26Å; G153-F155 PolarHBondContact O-N 2.99Å |
| 156 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.5 | 171.1 | 174.3 | 76.1 | 0 | 0 | 0 | 108.4 | S121 L122 W136 I143 I149 I151 Y169 | S121-L156 WeakPolarHBondContact CA-O 3.29Å; L122-L156 HydrophobicContact CB-CB 4.34Å; L122-L156 HydrophobicContact CD2-CD2 4.33Å; L122-L156 PolarHBondContact N-O 3.39Å; L122-L156 PolarHBondContact O-N 2.84Å; W136-L156 HydrophobicContact CD2-CB 3.85Å; W136-L156 HydrophobicContact CD2-CD2 4.22Å; W136-L156 HydrophobicContact CE3-CB 4.05Å; W136-L156 HydrophobicContact CE3-CD2 3.84Å; W136-L156 HydrophobicContact CG-CB 4.41Å; W136-L156 HydrophobicContact CH2-CB 4.07Å; W136-L156 HydrophobicContact CZ2-CB 3.9Å; W136-L156 HydrophobicContact CZ3-CB 4.14Å; W136-L156 HydrophobicContact CZ3-CD2 4.21Å; I143-L156 HydrophobicContact CD1-CD1 4.32Å; I143-L156 HydrophobicContact CD1-CD2 3.69Å; I143-L156 HydrophobicContact CG2-CD1 4.16Å; I149-L156 HydrophobicContact CG2-CD1 3.59Å; I151-L156 HydrophobicContact CD1-CD1 3.98Å; I151-L156 HydrophobicContact CG1-CD1 3.49Å; I151-L156 VanDerWaalsContact CG1-CD1 3.49Å; L156-Y169 HydrophobicContact CD2-CD1 3.73Å; L156-Y169 HydrophobicContact CD2-CE1 3.7Å |
| 157 | V | 97.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.1 | 178.7 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | V120 I149 T150 | V120-V157 WeakPolarHBondContact O-CA 3.33Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; T150-V157 PolarHBondContact N-O 2.84Å; T150-V157 PolarHBondContact O-N 3.11Å |
| 158 | I | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.8 | 174.8 | -50.3 | 172.8 | 0 | 0 | 0 | 108.2 | V120 R148 I149 D165 Y169 | V120-I158 HydrophobicContact CG1-CB 3.71Å; V120-I158 HydrophobicContact CG1-CD1 4.25Å; V120-I158 HydrophobicContact CG1-CG1 4.28Å; V120-I158 PolarHBondContact N-O 2.85Å; V120-I158 PolarHBondContact O-N 3.22Å; R148-I158 WeakPolarHBondContact O-CA 3.35Å; I149-I158 HydrophobicContact CG1-CG1 4.31Å; I149-I158 HydrophobicContact CG1-CG2 4.29Å; I158-D165 HydrophobicContact CD1-CB 4.32Å; I158-D165 WeakPolarHBondContact CG2-OD2 3.42Å; I158-Y169 HydrophobicContact CD1-CE1 4.24Å; I158-Y169 WeakPolarHBondContact CD1-OH 3.37Å |
| 159 | N | 97.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -149.7 | 117.6 | 179.4 | -174.1 | 17.8 | 0 | 0 | 0 | 112.6 | N119 R148 | N119-N159 HydrophobicContact CB-CB 4.3Å; R148-N159 VanDerWaalsContact CA-O 3.25Å; R148-N159 WeakPolarHBondContact CA-O 3.41Å; R148-N159 VanDerWaalsContact CB-O 3.28Å; R148-N159 WeakPolarHBondContact CB-O 3.34Å; R148-N159 PolarHBondContact O-N 2.81Å |
| 160 | P | 97.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -76.2 | 150.2 | -7.2 | 27.3 | -32.5 | 0 | 0 | 0 | 112.9 | R148 | R148-P160 PolarHBondContact NH1-O 2.94Š|
| 161 | A | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -66.6 | 141.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q117 K118 V120 | Q117-A161 PolarHBondContact N-O 2.91Å; K118-A161 WeakPolarHBondContact O-CB 3.11Å; K118-A161 PolarHBondContact O-N 3.11Å; V120-A161 HydrophobicContact CG1-CB 4.15Å | ||
| 162 | R | 96.6 | Very high | 96.6 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | trans | -123.1 | 160.8 | 179 | -60.9 | 178.6 | 174 | 172.7 | -3.7 | 110.1 | R148 D164 D165 | R148-R162 VanDerWaalsContact CD-CZ 3.49Å; R162-D164 PolarHBondContact O-N 3.08Å; R162-D165 WeakPolarHBondContact CB-OD2 3.48Å; R162-D165 PolarHBondContact N-OD2 3.02Å; R162-D165 VanDerWaalsContact O-CB 3.29Å; R162-D165 WeakPolarHBondContact O-CB 3.29Å; R162-D165 PolarHBondContact O-N 2.89Å | ||
| 163 | R | 94.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -57.6 | -39.9 | 179.3 | -57.6 | -179.1 | -169.4 | -152.6 | -17.5 | 112.3 | E116 D165 A166 Y190 K193 | E116-R163 WeakPolarHBondContact OE1-CG 3.35Å; E116-R163 IonicContact OE1-CZ 3.85Å; E116-R163 IonicContact OE1-NE 2.96Å; E116-R163 PolarHBondContact OE1-NE 2.85Å; E116-R163 IonicContact OE1-NH2 3.84Å; E116-R163 IonicContact OE2-CZ 3.6Å; E116-R163 IonicContact OE2-NE 3.26Å; E116-R163 PolarHBondContact OE2-NE 2.96Å; E116-R163 IonicContact OE2-NH2 2.99Å; E116-R163 PolarHBondContact OE2-NH2 2.92Å; R163-D165 PolarHBondContact O-N 2.85Å; R163-A166 VanDerWaalsContact O-CB 3.24Å; R163-A166 WeakPolarHBondContact O-CB 3.41Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.09Å; R163-Y190 HydrophobicContact CG-CD1 3.77Å; R163-Y190 HydrophobicContact CG-CE1 4.23Å; R163-Y190 HydrophobicContact CG-CG 4.19Å; R163-K193 VanDerWaalsContact NH2-CG 3.33Å |
| 164 | D | 95.5 | Very high | 97 | Very high | 137 Ų | 137 | 39.5 Ų | 39.5 | 73% | 0.733 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -75.2 | -7.7 | -179.3 | -52.6 | -26.1 | 0 | 0 | 0 | 112.9 | K138 R162 A166 | K138-D164 WeakPolarHBondContact CE-O 3.05Å; K138-D164 PolarHBondContact NZ-O 3.03Å; R162-D164 PolarHBondContact O-N 3.08Å; D164-A166 PolarHBondContact O-N 2.99Å |
| 165 | D | 96.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -75.4 | -11.1 | 169.3 | -59.4 | -39.3 | 0 | 0 | 0 | 111 | K138 R148 I158 R162 R163 Y169 V188 | K138-D165 WeakPolarHBondContact CE-O 3.17Å; R148-D165 IonicContact NH1-OD1 2.87Å; R148-D165 IonicContact NH1-OD2 3.15Å; R148-D165 PolarHBondContact NH1-OD2 3.18Å; I158-D165 HydrophobicContact CD1-CB 4.32Å; I158-D165 WeakPolarHBondContact CG2-OD2 3.42Å; R162-D165 WeakPolarHBondContact CB-OD2 3.48Å; R162-D165 PolarHBondContact N-OD2 3.02Å; R162-D165 VanDerWaalsContact O-CB 3.29Å; R162-D165 WeakPolarHBondContact O-CB 3.29Å; R162-D165 PolarHBondContact O-N 2.89Å; R163-D165 PolarHBondContact O-N 2.85Å; D165-Y169 VanDerWaalsContact O-CE2 3.23Å; D165-Y169 WeakPolarHBondContact O-CE2 3.33Å; D165-Y169 PolarHBondContact O-OH 3.39Å; D165-V188 HydrophobicContact CB-CG2 4.43Å |
| 166 | A | 96.4 | Very high | 96 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 30% | 0.298 | 22% | 0.219 | S | C | . | . | trans | -64.8 | 144.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K138 R163 D164 L186 V188 | K138-A166 VanDerWaalsContact CE-O 3.22Å; K138-A166 WeakPolarHBondContact CE-O 3.42Å; K138-A166 PolarHBondContact NZ-O 3.39Å; R163-A166 VanDerWaalsContact O-CB 3.24Å; R163-A166 WeakPolarHBondContact O-CB 3.41Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.09Å; D164-A166 PolarHBondContact O-N 2.99Å; A166-L186 WeakPolarHBondContact CA-O 3.26Å; A166-V188 HydrophobicContact CB-CB 4.32Å; A166-V188 HydrophobicContact CB-CG2 4Å | ||
| 167 | G | 96.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | -170.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S185 L186 | G167-S185 CarbonylContact O-C 3.57Å; G167-S185 WeakPolarHBondContact O-CA 3.42Å; G167-L186 PolarHBondContact N-O 2.63Å; G167-L186 VanDerWaalsContact N-O 3.11Å; G167-L186 PolarHBondContact O-N 3.47Å |
| 168 | E | 97.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.7 | 178.5 | -172.8 | 176.4 | 82.5 | 0 | 0 | 110.5 | K138 D139 T183 | K138-E168 CarbonylContact C-O 3.55Å; K138-E168 WeakPolarHBondContact CA-O 3.49Å; D139-E168 PolarHBondContact N-O 2.9Å; D139-E168 PolarHBondContact OD1-N 2.91Å; E168-T183 HydrophobicContact CG-CG2 3.2Å; E168-T183 WeakPolarHBondContact OE1-CG2 3.37Å |
| 169 | Y | 97.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.4 | 175.8 | -72.7 | -100.5 | 0 | 0 | 0 | 109.4 | L108 L122 K137 K138 I143 L156 I158 D165 T183 K184 L186 | L108-Y169 WeakPolarHBondContact CD2-O 3.46Å; L122-Y169 HydrophobicContact CD2-CD1 3.73Å; L122-Y169 HydrophobicContact CD2-CD2 4.1Å; L122-Y169 HydrophobicContact CD2-CE1 4.32Å; L122-Y169 HydrophobicContact CD2-CG 3.59Å; K137-Y169 CarbonylContact O-C 3.57Å; K137-Y169 WeakPolarHBondContact O-CA 3.36Å; K138-Y169 HydrophobicContact CB-CD1 4.38Å; K138-Y169 HydrophobicContact CB-CE1 4.12Å; K138-Y169 HydrophobicContact CD-CE1 4.38Å; K138-Y169 HydrophobicContact CD-CE2 4.44Å; K138-Y169 HydrophobicContact CG-CE1 4.26Å; K138-Y169 HydrophobicContact CG-CE2 4.27Å; I143-Y169 HydrophobicContact CD1-CD1 3.79Å; I143-Y169 HydrophobicContact CD1-CE1 3.66Å; L156-Y169 HydrophobicContact CD2-CD1 3.73Å; L156-Y169 HydrophobicContact CD2-CE1 3.7Å; I158-Y169 HydrophobicContact CD1-CE1 4.24Å; I158-Y169 WeakPolarHBondContact CD1-OH 3.37Å; D165-Y169 VanDerWaalsContact O-CE2 3.23Å; D165-Y169 WeakPolarHBondContact O-CE2 3.33Å; D165-Y169 PolarHBondContact O-OH 3.39Å; Y169-T183 CarbonylContact O-C 3.57Å; Y169-T183 VanDerWaalsContact O-CA 3.3Å; Y169-T183 WeakPolarHBondContact O-CA 3.19Å; Y169-K184 PolarHBondContact N-O 3.47Å; Y169-K184 PolarHBondContact O-N 2.99Å; Y169-K184 VanDerWaalsContact O-O 3.13Å; Y169-L186 HydrophobicContact CD2-CB 3.78Å; Y169-L186 HydrophobicContact CE2-CB 3.66Å; Y169-L186 HydrophobicContact CE2-CD2 3.82Å; Y169-L186 HydrophobicContact CE2-CG 4.38Å |
| 170 | S | 98.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.1 | 169.1 | 56 | 0 | 0 | 0 | 0 | 110.5 | W136 K137 S182 T183 | W136-S170 WeakPolarHBondContact CA-O 3.36Å; K137-S170 WeakPolarHBondContact CB-OG 3.23Å; K137-S170 PolarHBondContact N-O 3.28Å; K137-S170 PolarHBondContact O-N 3.09Å; S170-S182 VanDerWaalsContact CA-O 3.3Å; S170-S182 WeakPolarHBondContact CA-O 3.3Å; S170-T183 WeakPolarHBondContact CB-OG1 2.97Å |
| 171 | C | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.7 | 168.8 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | L108 C124 Q135 W136 T181 S182 | L108-C171 HydrophobicContact CD1-CB 4.33Å; C124-C171 HydrophobicContact CB-CB 3.53Å; C124-C171 WeakPolarHBondContact CB-SG 3.43Å; C124-C171 WeakPolarHBondContact SG-CB 3.19Å; C124-C171 CovalentContact SG-SG 2.01Å; C124-C171 PolarHBondContact SG-SG 3.02Å; Q135-C171 CarbonylContact O-C 3.57Å; Q135-C171 WeakPolarHBondContact O-CA 3.5Å; W136-C171 HydrophobicContact CD2-CB 4.29Å; W136-C171 HydrophobicContact CE3-CB 4.09Å; W136-C171 HydrophobicContact CH2-CB 4.23Å; W136-C171 HydrophobicContact CZ2-CB 4.4Å; W136-C171 HydrophobicContact CZ3-CB 4.08Å; C171-T181 WeakPolarHBondContact O-CA 3.5Å; C171-S182 PolarHBondContact N-O 2.99Å; C171-S182 PolarHBondContact O-N 3.36Å |
| 172 | T | 98 | Very high | 94.5 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.5 | 172.6 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | A134 Q135 A179 Q180 T181 | A134-T172 CarbonylContact C-O 3.47Å; A134-T172 WeakPolarHBondContact CA-O 3.33Å; Q135-T172 PolarHBondContact N-O 3.23Å; Q135-T172 PolarHBondContact O-N 2.81Å; T172-A179 HydrophobicContact CG2-CB 4.24Å; T172-Q180 CarbonylContact C-O 3.58Å; T172-Q180 VanDerWaalsContact CA-O 3.27Å; T172-Q180 WeakPolarHBondContact CA-O 3.25Å; T172-T181 WeakPolarHBondContact CG2-OG1 3.46Å; T172-T181 WeakPolarHBondContact OG1-CG2 3.36Å; T172-T181 PolarHBondContact OG1-OG1 3.44Å |
| 173 | A | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V103 V106 W126 V132 T133 Q180 | V103-A173 HydrophobicContact CG1-CB 4.38Å; V106-A173 HydrophobicContact CG1-CB 4.42Å; V106-A173 HydrophobicContact CG2-CB 3.51Å; W126-A173 HydrophobicContact CB-CB 4.04Å; W126-A173 HydrophobicContact CD2-CB 3.98Å; W126-A173 HydrophobicContact CE3-CB 3.86Å; W126-A173 HydrophobicContact CG-CB 4.09Å; V132-A173 HydrophobicContact CG1-CB 3.79Å; T133-A173 CarbonylContact O-C 3.58Å; T133-A173 WeakPolarHBondContact O-CA 3.33Å; A173-Q180 PolarHBondContact N-O 2.89Å; A173-Q180 PolarHBondContact O-N 2.78Å |
| 174 | S | 95.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.5 | -172.6 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | T133 S178 | T133-S174 PolarHBondContact N-O 2.68Å; T133-S174 PolarHBondContact O-N 3.03Å; T133-S174 PolarHBondContact OG1-O 3.12Å; S174-S178 CarbonylContact C-O 3.52Å; S174-S178 VanDerWaalsContact CA-O 3.24Å; S174-S178 WeakPolarHBondContact CA-O 3.28Å; S174-S178 WeakPolarHBondContact CB-O 3.34Å |
| 175 | N | 87.5 | Confident | 94.7 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | -169.6 | 165 | 66.4 | 7 | 0 | 0 | 0 | 109.7 | F100 D101 T130 V177 S178 | F100-N175 HydrophobicContact CD1-CB 4.32Å; D101-N175 PolarHBondContact O-ND2 3.26Å; T130-N175 VanDerWaalsContact O-CB 3.28Å; T130-N175 WeakPolarHBondContact O-CB 3.45Å; T130-N175 PolarHBondContact O-ND2 3.48Å; N175-V177 PolarHBondContact O-N 2.72Å; N175-V177 VanDerWaalsContact O-N 3.08Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 2.91Å; N175-S178 PolarHBondContact N-O 2.86Å; N175-S178 VanDerWaalsContact O-O 3.13Å; N175-S178 PolarHBondContact OD1-N 2.83Å; N175-S178 PolarHBondContact OD1-O 2.83Å; N175-S178 PolarHBondContact OD1-OG 2.83Å |
| 176 | N | 82.9 | Confident | 94.8 | Very high | 132 Ų | 132 | 45.3 Ų | 45.3 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.4 | -174 | -71.4 | -14.4 | 0 | 0 | 0 | 115.1 | F100 | F100-N176 HydrophobicContact CD2-CB 3.98Å; F100-N176 HydrophobicContact CE1-CB 4.39Å; F100-N176 HydrophobicContact CE2-CB 3.8Å; F100-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F100-N176 HydrophobicContact CG-CB 4.39Å; F100-N176 HydrophobicContact CZ-CB 4.03Å; F100-N176 WeakPolarHBondContact CZ-ND2 3.28Å |
| 177 | V | 79.9 | Confident | 94.8 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -11.9 | -175.5 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | F100 P102 N175 | F100-V177 HydrophobicContact CB-CB 4.43Å; F100-V177 HydrophobicContact CB-CG1 3.97Å; F100-V177 HydrophobicContact CB-CG2 3.58Å; F100-V177 HydrophobicContact CD2-CG1 4.22Å; F100-V177 HydrophobicContact CG-CG1 4.44Å; P102-V177 HydrophobicContact CB-CG2 4.48Å; N175-V177 PolarHBondContact O-N 2.72Å; N175-V177 VanDerWaalsContact O-N 3.08Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 2.91Å |
| 178 | S | 86.6 | Confident | 94.8 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.4 | -174 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | P102 V103 S174 N175 | P102-S178 WeakPolarHBondContact CA-OG 3.15Å; V103-S178 PolarHBondContact N-OG 3.17Å; S174-S178 CarbonylContact C-O 3.52Å; S174-S178 VanDerWaalsContact CA-O 3.24Å; S174-S178 WeakPolarHBondContact CA-O 3.28Å; S174-S178 WeakPolarHBondContact CB-O 3.34Å; N175-S178 PolarHBondContact N-O 2.86Å; N175-S178 VanDerWaalsContact O-O 3.13Å; N175-S178 PolarHBondContact OD1-N 2.83Å; N175-S178 PolarHBondContact OD1-O 2.83Å; N175-S178 PolarHBondContact OD1-OG 2.83Å |
| 179 | A | 94.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 44 Ų | 44 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 131.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | T172 | T172-A179 HydrophobicContact CG2-CB 4.24Å |
| 180 | Q | 96.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.4 | 178.2 | -69.7 | -64.9 | -21.4 | 0 | 0 | 109 | V103 V106 T172 A173 | V103-Q180 HydrophobicContact CB-CB 4.47Å; V103-Q180 HydrophobicContact CB-CG 4.1Å; V103-Q180 HydrophobicContact CG1-CB 3.95Å; V103-Q180 HydrophobicContact CG1-CG 3.95Å; V103-Q180 WeakPolarHBondContact O-CG 3.49Å; V106-Q180 HydrophobicContact CB-CB 4.29Å; V106-Q180 HydrophobicContact CG2-CB 3.45Å; V106-Q180 VanDerWaalsContact CG2-CB 3.45Å; T172-Q180 CarbonylContact C-O 3.58Å; T172-Q180 VanDerWaalsContact CA-O 3.27Å; T172-Q180 WeakPolarHBondContact CA-O 3.25Å; A173-Q180 PolarHBondContact N-O 2.89Å; A173-Q180 PolarHBondContact O-N 2.78Å |
| 181 | T | 98.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.5 | -174.4 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | C171 T172 | C171-T181 WeakPolarHBondContact O-CA 3.5Å; T172-T181 WeakPolarHBondContact CG2-OG1 3.46Å; T172-T181 WeakPolarHBondContact OG1-CG2 3.36Å; T172-T181 PolarHBondContact OG1-OG1 3.44Å |
| 182 | S | 98.4 | Very high | 94.2 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.1 | 171.2 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | V106 L108 S170 C171 | V106-S182 WeakPolarHBondContact O-CB 3.3Å; L108-S182 PolarHBondContact N-OG 3.05Å; L108-S182 VanDerWaalsContact N-OG 3.14Å; S170-S182 VanDerWaalsContact CA-O 3.3Å; S170-S182 WeakPolarHBondContact CA-O 3.3Å; C171-S182 PolarHBondContact N-O 2.99Å; C171-S182 PolarHBondContact O-N 3.36Å |
| 183 | T | 98.1 | Very high | 93.6 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.8 | -170.4 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | E168 Y169 S170 | E168-T183 HydrophobicContact CG-CG2 3.2Å; E168-T183 WeakPolarHBondContact OE1-CG2 3.37Å; Y169-T183 CarbonylContact O-C 3.57Å; Y169-T183 VanDerWaalsContact O-CA 3.3Å; Y169-T183 WeakPolarHBondContact O-CA 3.19Å; S170-T183 WeakPolarHBondContact CB-OG1 2.97Å |
| 184 | K | 97.6 | Very high | 92.9 | Very high | 93 Ų | 93 | 59.6 Ų | 59.6 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149.6 | 176.8 | -76 | -167.4 | 179.4 | 168.8 | 0 | 111.4 | L108 V110 Y169 | L108-K184 HydrophobicContact CD2-CB 3.98Å; L108-K184 HydrophobicContact CG-CB 4.31Å; L108-K184 WeakPolarHBondContact O-CD 3.46Å; L108-K184 WeakPolarHBondContact O-CE 3.19Å; L108-K184 PolarHBondContact O-NZ 2.88Å; V110-K184 HydrophobicContact CB-CB 4.27Å; V110-K184 HydrophobicContact CG2-CB 3.55Å; V110-K184 HydrophobicContact CG2-CD 4.24Å; V110-K184 HydrophobicContact CG2-CG 4.47Å; Y169-K184 PolarHBondContact N-O 3.47Å; Y169-K184 PolarHBondContact O-N 2.99Å; Y169-K184 VanDerWaalsContact O-O 3.13Å |
| 185 | S | 96.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142.1 | 177.5 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | G167 | G167-S185 CarbonylContact O-C 3.57Å; G167-S185 WeakPolarHBondContact O-CA 3.42Å |
| 186 | L | 96.6 | Very high | 92 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.7 | 169.7 | 178.6 | 66.5 | 0 | 0 | 0 | 109.5 | V110 A114 V120 L122 A166 G167 Y169 V188 | V110-L186 HydrophobicContact CG1-CB 3.84Å; V110-L186 HydrophobicContact CG1-CD1 3.61Å; V110-L186 HydrophobicContact CG1-CG 4.31Å; A114-L186 HydrophobicContact CB-CD1 4.03Å; V120-L186 HydrophobicContact CG1-CD2 4.5Å; V120-L186 HydrophobicContact CG2-CD1 4.17Å; V120-L186 HydrophobicContact CG2-CD2 4.49Å; L122-L186 HydrophobicContact CD1-CD2 4.41Å; A166-L186 WeakPolarHBondContact CA-O 3.26Å; G167-L186 PolarHBondContact N-O 2.63Å; G167-L186 VanDerWaalsContact N-O 3.11Å; G167-L186 PolarHBondContact O-N 3.47Å; Y169-L186 HydrophobicContact CD2-CB 3.78Å; Y169-L186 HydrophobicContact CE2-CB 3.66Å; Y169-L186 HydrophobicContact CE2-CD2 3.82Å; Y169-L186 HydrophobicContact CE2-CG 4.38Å; L186-V188 HydrophobicContact CD2-CG2 4.37Å; L186-V188 HydrophobicContact CG-CG2 4.41Å |
| 187 | T | 96.5 | Very high | 91.3 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 36% | 0.362 | 32% | 0.317 | S | S | . | . | trans | -101.8 | 136.4 | 168.3 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | A114 Y189 L216 | A114-T187 PolarHBondContact N-O 2.85Å; T187-Y189 HydrophobicContact CG2-CD1 3.95Å; T187-Y189 HydrophobicContact CG2-CE1 3.65Å; T187-L216 HydrophobicContact CG2-CD2 3.95Å | ||
| 188 | V | 97.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109.9 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | A114 E116 D165 A166 L186 Y190 | A114-V188 HydrophobicContact CB-CG2 4.2Å; A114-V188 CarbonylContact O-C 3.54Å; A114-V188 WeakPolarHBondContact O-CA 3.41Å; E116-V188 HydrophobicContact CB-CG1 4.44Å; D165-V188 HydrophobicContact CB-CG2 4.43Å; A166-V188 HydrophobicContact CB-CB 4.32Å; A166-V188 HydrophobicContact CB-CG2 4Å; L186-V188 HydrophobicContact CD2-CG2 4.37Å; L186-V188 HydrophobicContact CG-CG2 4.41Å; V188-Y190 WeakPolarHBondContact O-CD1 3.35Å |
| 189 | Y | 96.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143.3 | 174.6 | -63.9 | -37.6 | 0 | 0 | 0 | 111.7 | A113 A114 V115 E116 T187 L216 P217 V261 | A113-Y189 HydrophobicContact CB-CD2 3.34Å; A113-Y189 HydrophobicContact CB-CE2 3.03Å; A113-Y189 HydrophobicContact CB-CG 4.26Å; A114-Y189 PolarHBondContact O-N 3.28Å; V115-Y189 CarbonylContact C-O 3.54Å; V115-Y189 WeakPolarHBondContact CA-O 3.45Å; E116-Y189 PolarHBondContact N-O 3.06Å; T187-Y189 HydrophobicContact CG2-CD1 3.95Å; T187-Y189 HydrophobicContact CG2-CE1 3.65Å; Y189-L216 CarbonylContact C-O 3.51Å; Y189-L216 VanDerWaalsContact CA-O 3.29Å; Y189-L216 WeakPolarHBondContact CA-O 3.15Å; Y189-L216 WeakPolarHBondContact CB-O 3.32Å; Y189-L216 HydrophobicContact CD1-CD2 4.32Å; Y189-L216 HydrophobicContact CD1-CG 4.07Å; Y189-P217 HydrophobicContact CD1-CG 4.12Å; Y189-P217 HydrophobicContact CE1-CG 3.89Å; Y189-V261 HydrophobicContact CD2-CB 3.95Å; Y189-V261 HydrophobicContact CD2-CG1 3.38Å; Y189-V261 HydrophobicContact CD2-CG2 4.14Å; Y189-V261 HydrophobicContact CE2-CB 4.32Å; Y189-V261 HydrophobicContact CE2-CG1 3.78Å; Y189-V261 HydrophobicContact CE2-CG2 4.02Å; Y189-V261 HydrophobicContact CG-CB 4.43Å; Y189-V261 HydrophobicContact CG-CG1 4.23Å |
| 190 | Y | 95.8 | Very high | 87.2 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -143.2 | 141 | -179.3 | 53.8 | -94.8 | 0 | 0 | 0 | 111.7 | E116 R163 V188 S215 L216 N259 | E116-Y190 WeakPolarHBondContact OE2-CB 3.38Å; R163-Y190 HydrophobicContact CG-CD1 3.77Å; R163-Y190 HydrophobicContact CG-CE1 4.23Å; R163-Y190 HydrophobicContact CG-CG 4.19Å; V188-Y190 WeakPolarHBondContact O-CD1 3.35Å; Y190-S215 PolarHBondContact O-OG 3Å; Y190-L216 HydrophobicContact CD1-CB 3.76Å; Y190-L216 HydrophobicContact CD2-CB 4.46Å; Y190-L216 HydrophobicContact CE1-CB 3.31Å; Y190-L216 HydrophobicContact CE1-CD2 4.14Å; Y190-L216 HydrophobicContact CE1-CG 4.36Å; Y190-L216 HydrophobicContact CE2-CB 4.1Å; Y190-L216 HydrophobicContact CG-CB 4.31Å; Y190-L216 VanDerWaalsContact CZ-CB 3.49Å; Y190-L216 PolarHBondContact N-O 2.75Å; Y190-L216 PolarHBondContact O-N 3.14Å; Y190-L216 VanDerWaalsContact O-N 3.08Å; Y190-N259 PolarHBondContact O-ND2 2.78Å |
| 191 | S | 94.9 | Very high | 85.3 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | trans | -66 | 161.8 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | K193 T262 | S191-K193 PolarHBondContact O-N 3.45Å; S191-K193 VanDerWaalsContact O-N 3.11Å; S191-T262 WeakPolarHBondContact CA-OG1 3.43Å; S191-T262 VanDerWaalsContact OG-CB 3.26Å; S191-T262 WeakPolarHBondContact OG-CB 3.48Å; S191-T262 PolarHBondContact OG-OG1 2.9Å | ||
| 192 | P | 92.9 | Very high | 83.1 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 5% | 0.045 | 35% | 0.354 | C | S | . | . | trans | -58.6 | 115 | 173.2 | -20.3 | 35.6 | 0 | 0 | 0 | 109.3 | S213 T214 A219 A257 N259 G264 S266 | P192-S213 WeakPolarHBondContact CA-OG 3.48Å; P192-S213 WeakPolarHBondContact CB-OG 3.35Å; P192-T214 WeakPolarHBondContact CA-O 3.46Å; P192-A219 HydrophobicContact CG-CB 3.95Å; P192-A257 HydrophobicContact CB-CB 3.98Å; P192-A257 HydrophobicContact CG-CB 4.15Å; P192-N259 HydrophobicContact CG-CB 4.24Å; P192-G264 VanDerWaalsContact CD-O 3.27Å; P192-G264 WeakPolarHBondContact CD-O 3.27Å; P192-S266 WeakPolarHBondContact O-CB 3.39Å | ||
| 193 | K | 84 | Confident | 81 | Confident | 136 Ų | 136 | 64 Ų | 64 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -74.3 | -43.6 | -175.2 | -114.4 | -178.5 | -169.3 | 172.9 | 0 | 112.6 | E116 R163 S191 T214 | E116-K193 IonicContact OE1-NZ 3.7Å; R163-K193 VanDerWaalsContact NH2-CG 3.33Å; S191-K193 PolarHBondContact O-N 3.45Å; S191-K193 VanDerWaalsContact O-N 3.11Å; K193-T214 PolarHBondContact N-O 2.88Å |
| 194 | K | 84.1 | Confident | 79.2 | Confident | 135 Ų | 135 | 63.9 Ų | 63.9 | 59% | 0.587 | 38% | 0.38 | S | S | * | . | trans | -154.5 | 116.8 | 176.3 | -167.8 | 178.7 | -180 | -177 | 0 | 108.1 | V196 S213 S266 | K194-V196 HydrophobicContact CB-CG1 4.3Å; K194-V196 HydrophobicContact CD-CG1 3.6Å; K194-V196 HydrophobicContact CG-CG1 3.7Å; K194-V196 PolarHBondContact O-N 3.15Å; K194-S213 PolarHBondContact O-OG 2.89Å; K194-S266 WeakPolarHBondContact CA-OG 3.42Å | ||
| 195 | C | 84.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -70.4 | 117.3 | 161.3 | -148.3 | 0 | 0 | 0 | 0 | 106.2 | C211 T212 A257 S266 Q268 | C195-C211 WeakPolarHBondContact CB-SG 3.41Å; C195-C211 WeakPolarHBondContact SG-CB 3.46Å; C195-C211 CovalentContact SG-SG 2.04Å; C195-C211 PolarHBondContact SG-SG 2.88Å; C195-T212 CarbonylContact C-O 3.56Å; C195-T212 VanDerWaalsContact CA-O 3.28Å; C195-T212 WeakPolarHBondContact CA-O 3.43Å; C195-A257 HydrophobicContact CB-CB 4.36Å; C195-S266 PolarHBondContact N-OG 2.73Å; C195-Q268 HydrophobicContact CB-CB 4.03Å; C195-Q268 PolarHBondContact O-OE1 3.37Å | ||
| 196 | V | 79.1 | Confident | 76.9 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 147.2 | 175.7 | -70 | 0 | 0 | 0 | 0 | 109.2 | K194 C211 T212 | K194-V196 HydrophobicContact CB-CG1 4.3Å; K194-V196 HydrophobicContact CD-CG1 3.6Å; K194-V196 HydrophobicContact CG-CG1 3.7Å; K194-V196 PolarHBondContact O-N 3.15Å; V196-C211 CarbonylContact O-C 3.54Å; V196-C211 WeakPolarHBondContact O-CA 2.9Å; V196-T212 WeakPolarHBondContact CG2-OG1 3.5Å; V196-T212 PolarHBondContact N-O 2.85Å; V196-T212 PolarHBondContact O-N 3.12Å |
| 197 | G | 67.8 | Low | 76.2 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T210 Y270 | G197-T210 VanDerWaalsContact CA-O 3.24Å; G197-T210 WeakPolarHBondContact CA-O 3.37Å; G197-Y270 WeakPolarHBondContact CA-OH 3.49Å |
| 198 | G | 65.9 | Low | 75.7 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T210 | G198-T210 PolarHBondContact N-O 2.93Å; G198-T210 PolarHBondContact O-N 2.88Å; G198-T210 PolarHBondContact O-OG1 2.83Å |
| 199 | G | 60.8 | Low | 75.3 | Confident | 49 Ų | 49 | 71 Ų | 71 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | trans | 166.6 | 144.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 200 | D | 49.4 | Very low | 75 | Confident | 146 Ų | 146 | 70.5 Ų | 70.5 | 78% | 0.781 | 40% | 0.403 | S | S | * | . | trans | -86.1 | 137.5 | 176.4 | -64.2 | -45.5 | 0 | 0 | 0 | 110.4 | ||||
| 201 | V | 56.3 | Low | 74.8 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | trans | -108 | 99.6 | -180 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | L272 | V201-L272 HydrophobicContact CG1-CD1 3.83Š| ||
| 202 | L | 52.5 | Low | 74.6 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | trans | -123.7 | 129 | 167.9 | -73.7 | 171.1 | 0 | 0 | 0 | 109.4 | ||||
| 203 | V | 54.6 | Low | 74.6 | Confident | 76 Ų | 76 | 71 Ų | 71 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 140.2 | -177.4 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | V275 | V203-V275 VanDerWaalsContact CG1-O 3.25Å; V203-V275 WeakPolarHBondContact CG1-O 3.04Å |
| 204 | G | 59.3 | Low | 75 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 63% | 0.629 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 14.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 205 | Q | 68.8 | Low | 75.5 | Confident | 138 Ų | 138 | 62.7 Ų | 62.7 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -131.9 | 177.5 | 176.9 | -65.6 | -150.9 | -24.9 | 0 | 0 | 112.3 | V207 T244 | Q205-V207 PolarHBondContact O-N 2.91Å; Q205-T244 PolarHBondContact O-OG1 2.9Å |
| 206 | V | 77.9 | Confident | 76.1 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 109.7 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | L242 Q243 | V206-L242 CarbonylContact C-O 3.51Å; V206-L242 WeakPolarHBondContact CA-O 3.42Å; V206-Q243 HydrophobicContact CG2-CG 4.23Å |
| 207 | V | 81.3 | Confident | 76.8 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.8 | 176 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | Q205 L209 S241 L242 T244 L272 | Q205-V207 PolarHBondContact O-N 2.91Å; V207-L209 HydrophobicContact CG1-CD2 4.15Å; V207-S241 CarbonylContact O-C 3.56Å; V207-S241 WeakPolarHBondContact O-CA 3.24Å; V207-L242 HydrophobicContact CB-CB 4.45Å; V207-L242 PolarHBondContact N-O 3.29Å; V207-L242 PolarHBondContact O-N 2.79Å; V207-T244 HydrophobicContact CB-CG2 4.43Å; V207-T244 HydrophobicContact CG2-CG2 3.71Å; V207-L272 HydrophobicContact CG1-CD1 4.29Å |
| 208 | R | 86.4 | Confident | 78 | Confident | 160 Ų | 160 | 67.1 Ų | 67.1 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111.5 | 176.6 | -68.7 | -178.3 | 174.9 | 167.6 | 0.4 | 110.2 | L240 | R208-L240 WeakPolarHBondContact CA-O 3.33Å |
| 209 | L | 88.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 169.7 | -54.1 | -179.1 | 0 | 0 | 0 | 107.8 | V207 W223 V239 L240 L242 Y253 Y270 | V207-L209 HydrophobicContact CG1-CD2 4.15Å; L209-W223 HydrophobicContact CB-CH2 3.46Å; L209-W223 VanDerWaalsContact CB-CH2 3.46Å; L209-W223 HydrophobicContact CB-CZ2 4.18Å; L209-W223 HydrophobicContact CB-CZ3 3.93Å; L209-W223 HydrophobicContact CD1-CH2 4.44Å; L209-W223 HydrophobicContact CD1-CZ3 4.04Å; L209-V239 CarbonylContact O-C 3.57Å; L209-V239 WeakPolarHBondContact O-CA 3.34Å; L209-L240 HydrophobicContact CB-CB 4.39Å; L209-L240 HydrophobicContact CD1-CD2 4.39Å; L209-L240 PolarHBondContact N-O 2.88Å; L209-L240 PolarHBondContact O-N 3.15Å; L209-L242 HydrophobicContact CD1-CD1 4.03Å; L209-L242 HydrophobicContact CG-CD1 4.48Å; L209-Y253 HydrophobicContact CD1-CD1 4.32Å; L209-Y253 HydrophobicContact CD1-CD2 4.17Å; L209-Y253 HydrophobicContact CD1-CG 3.8Å; L209-Y270 HydrophobicContact CD1-CG 4.41Å; L209-Y270 HydrophobicContact CD2-CD1 4.29Å; L209-Y270 HydrophobicContact CD2-CG 4.38Å |
| 210 | T | 90.1 | Very high | 81.1 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.9 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | G197 G198 V239 Y270 | G197-T210 VanDerWaalsContact CA-O 3.24Å; G197-T210 WeakPolarHBondContact CA-O 3.37Å; G198-T210 PolarHBondContact N-O 2.93Å; G198-T210 PolarHBondContact O-N 2.88Å; G198-T210 PolarHBondContact O-OG1 2.83Å; T210-V239 HydrophobicContact CG2-CB 4.48Å; T210-V239 HydrophobicContact CG2-CG1 4.26Å; T210-V239 HydrophobicContact CG2-CG2 3.88Å; T210-Y270 PolarHBondContact O-OH 2.8Å |
| 211 | C | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138 | 167.2 | -145.7 | 0 | 0 | 0 | 0 | 110.4 | C195 V196 F221 W223 G238 C255 Q268 | C195-C211 WeakPolarHBondContact CB-SG 3.41Å; C195-C211 WeakPolarHBondContact SG-CB 3.46Å; C195-C211 CovalentContact SG-SG 2.04Å; C195-C211 PolarHBondContact SG-SG 2.88Å; V196-C211 CarbonylContact O-C 3.54Å; V196-C211 WeakPolarHBondContact O-CA 2.9Å; C211-F221 HydrophobicContact CB-CD1 4.2Å; C211-F221 HydrophobicContact CB-CE1 4.25Å; C211-W223 HydrophobicContact CB-CZ2 4.3Å; C211-G238 PolarHBondContact N-O 2.97Å; C211-C255 HydrophobicContact CB-CB 3.57Å; C211-C255 WeakPolarHBondContact CB-SG 3.38Å; C211-Q268 VanDerWaalsContact SG-CB 3.52Å |
| 212 | T | 91.9 | Very high | 85.1 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 147.2 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 109.6 | C195 V196 | C195-T212 CarbonylContact C-O 3.56Å; C195-T212 VanDerWaalsContact CA-O 3.28Å; C195-T212 WeakPolarHBondContact CA-O 3.43Å; V196-T212 WeakPolarHBondContact CG2-OG1 3.5Å; V196-T212 PolarHBondContact N-O 2.85Å; V196-T212 PolarHBondContact O-N 3.12Å |
| 213 | S | 93 | Very high | 87.2 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | trans | -149.3 | 143.4 | 177.2 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | P192 K194 S215 | P192-S213 WeakPolarHBondContact CA-OG 3.48Å; P192-S213 WeakPolarHBondContact CB-OG 3.35Å; K194-S213 PolarHBondContact O-OG 2.89Å; S213-S215 PolarHBondContact O-N 2.9Å | ||
| 214 | T | 93 | Very high | 89.1 | Confident | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -81.6 | 114.1 | 171.7 | 64 | 0 | 0 | 0 | 0 | 109.5 | P192 K193 | P192-T214 WeakPolarHBondContact CA-O 3.46Å; K193-T214 PolarHBondContact N-O 2.88Å | ||
| 215 | S | 94.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | trans | -146.6 | 147.1 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | Y190 S213 P217 N259 | Y190-S215 PolarHBondContact O-OG 3Å; S213-S215 PolarHBondContact O-N 2.9Å; S215-P217 CarbonylContact C-O 3.57Å; S215-P217 WeakPolarHBondContact CB-O 3.31Å; S215-P217 CarbonylContact O-C 3.58Å; S215-P217 PolarHBondContact OG-O 2.94Å; S215-N259 PolarHBondContact OG-ND2 2.88Å | ||
| 216 | L | 94.9 | Very high | 91.5 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -133.3 | 121.5 | 168.6 | -171.6 | 71.9 | 0 | 0 | 0 | 110.5 | T187 Y189 Y190 N259 | T187-L216 HydrophobicContact CG2-CD2 3.95Å; Y189-L216 CarbonylContact C-O 3.51Å; Y189-L216 VanDerWaalsContact CA-O 3.29Å; Y189-L216 WeakPolarHBondContact CA-O 3.15Å; Y189-L216 WeakPolarHBondContact CB-O 3.32Å; Y189-L216 HydrophobicContact CD1-CD2 4.32Å; Y189-L216 HydrophobicContact CD1-CG 4.07Å; Y190-L216 HydrophobicContact CD1-CB 3.76Å; Y190-L216 HydrophobicContact CD2-CB 4.46Å; Y190-L216 HydrophobicContact CE1-CB 3.31Å; Y190-L216 HydrophobicContact CE1-CD2 4.14Å; Y190-L216 HydrophobicContact CE1-CG 4.36Å; Y190-L216 HydrophobicContact CE2-CB 4.1Å; Y190-L216 HydrophobicContact CG-CB 4.31Å; Y190-L216 VanDerWaalsContact CZ-CB 3.49Å; Y190-L216 PolarHBondContact N-O 2.75Å; Y190-L216 PolarHBondContact O-N 3.14Å; Y190-L216 VanDerWaalsContact O-N 3.08Å; L216-N259 PolarHBondContact O-ND2 3.28Å |
| 217 | P | 94.5 | Very high | 92 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | S | Bend | cis | -56.8 | 165.6 | -8.1 | -23.7 | 37 | 0 | 0 | 0 | 113.2 | Y189 S215 A219 N259 V261 | Y189-P217 HydrophobicContact CD1-CG 4.12Å; Y189-P217 HydrophobicContact CE1-CG 3.89Å; S215-P217 CarbonylContact C-O 3.57Å; S215-P217 WeakPolarHBondContact CB-O 3.31Å; S215-P217 CarbonylContact O-C 3.58Å; S215-P217 PolarHBondContact OG-O 2.94Å; P217-A219 PolarHBondContact O-N 2.91Å; P217-N259 PolarHBondContact O-ND2 2.96Å; P217-V261 HydrophobicContact CG-CG2 3.72Å |
| 218 | P | 94.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 69% | 0.688 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 138.8 | 177 | -27.5 | 35.6 | 0 | 0 | 0 | 111.6 | ||
| 219 | A | 95.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 148.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P192 P217 F221 A257 T258 | P192-A219 HydrophobicContact CG-CB 3.95Å; P217-A219 PolarHBondContact O-N 2.91Å; A219-F221 HydrophobicContact CB-CZ 4.47Å; A219-F221 WeakPolarHBondContact O-CE2 3.43Å; A219-A257 HydrophobicContact CB-CB 4.01Å; A219-T258 CarbonylContact C-O 3.45Å; A219-T258 WeakPolarHBondContact CA-O 3.28Å; A219-T258 WeakPolarHBondContact CB-O 3.19Å |
| 220 | T | 95.1 | Very high | 93.1 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 148.5 | 164.7 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | A257 T258 | T220-A257 CarbonylContact O-C 3.51Å; T220-A257 WeakPolarHBondContact O-CA 3.37Å; T220-T258 PolarHBondContact N-O 3.4Å; T220-T258 PolarHBondContact O-N 3.02Å; T220-T258 PolarHBondContact OG1-O 3.08Å |
| 221 | F | 95.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.4 | -176.2 | -61.1 | -95.4 | 0 | 0 | 0 | 111.4 | C211 A219 D236 G238 T256 A257 | C211-F221 HydrophobicContact CB-CD1 4.2Å; C211-F221 HydrophobicContact CB-CE1 4.25Å; A219-F221 HydrophobicContact CB-CZ 4.47Å; A219-F221 WeakPolarHBondContact O-CE2 3.43Å; F221-D236 WeakPolarHBondContact CD2-O 3.11Å; F221-G238 VanDerWaalsContact CG-CA 3.43Å; F221-T256 CarbonylContact C-O 3.56Å; F221-T256 WeakPolarHBondContact CA-O 3.43Å; F221-A257 HydrophobicContact CD1-CB 3.84Å; F221-A257 HydrophobicContact CE1-CB 3.65Å; F221-A257 HydrophobicContact CZ-CB 4.39Å |
| 222 | S | 95.4 | Very high | 93 | Very high | 65 Ų | 65 | 64.4 Ų | 64.4 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.7 | 170.7 | 61.7 | 0 | 0 | 0 | 0 | 110 | C255 T256 | S222-C255 CarbonylContact O-C 3.6Å; S222-C255 WeakPolarHBondContact O-CA 3.39Å; S222-T256 PolarHBondContact N-O 3.26Å; S222-T256 PolarHBondContact O-N 3.22Å |
| 223 | W | 95.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.9 | 179.5 | -72.2 | 90.9 | 0 | 0 | 0 | 110.9 | L209 C211 V230 G238 L240 V254 C255 Y270 | L209-W223 HydrophobicContact CB-CH2 3.46Å; L209-W223 VanDerWaalsContact CB-CH2 3.46Å; L209-W223 HydrophobicContact CB-CZ2 4.18Å; L209-W223 HydrophobicContact CB-CZ3 3.93Å; L209-W223 HydrophobicContact CD1-CH2 4.44Å; L209-W223 HydrophobicContact CD1-CZ3 4.04Å; C211-W223 HydrophobicContact CB-CZ2 4.3Å; W223-V230 HydrophobicContact CB-CB 4.1Å; W223-V230 PolarHBondContact O-N 2.89Å; W223-G238 VanDerWaalsContact CZ2-O 3.3Å; W223-G238 WeakPolarHBondContact CZ2-O 3.46Å; W223-L240 HydrophobicContact CB-CD2 4.1Å; W223-L240 HydrophobicContact CD2-CB 3.65Å; W223-L240 HydrophobicContact CD2-CD2 3.71Å; W223-L240 HydrophobicContact CD2-CG 4.28Å; W223-L240 VanDerWaalsContact CE2-CB 3.46Å; W223-L240 HydrophobicContact CE3-CB 4.16Å; W223-L240 HydrophobicContact CE3-CD2 3.63Å; W223-L240 HydrophobicContact CG-CB 3.98Å; W223-L240 HydrophobicContact CG-CD2 3.93Å; W223-L240 HydrophobicContact CG-CG 4.39Å; W223-L240 HydrophobicContact CH2-CB 4.3Å; W223-L240 HydrophobicContact CZ2-CB 3.81Å; W223-L240 HydrophobicContact CZ3-CB 4.45Å; W223-L240 HydrophobicContact CZ3-CD2 4.25Å; W223-V254 WeakPolarHBondContact CA-O 3.42Å; W223-C255 HydrophobicContact CD2-CB 3.86Å; W223-C255 HydrophobicContact CE3-CB 3.78Å; W223-C255 HydrophobicContact CH2-CB 3.66Å; W223-C255 HydrophobicContact CZ2-CB 3.72Å; W223-C255 HydrophobicContact CZ3-CB 3.68Å; W223-Y270 AromaticContact CH2-CD2 3.97Å; W223-Y270 HydrophobicContact CH2-CD2 3.97Å; W223-Y270 AromaticContact CH2-CE2 3.45Å; W223-Y270 HydrophobicContact CH2-CE2 3.45Å; W223-Y270 VanDerWaalsContact CH2-CE2 3.45Å; W223-Y270 AromaticContact CZ3-CD2 3.68Å; W223-Y270 HydrophobicContact CZ3-CD2 3.68Å; W223-Y270 AromaticContact CZ3-CE2 3.57Å; W223-Y270 HydrophobicContact CZ3-CE2 3.57Å |
| 224 | E | 95.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 34% | 0.341 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.4 | 169.8 | 61.3 | 179.1 | -172.1 | 0 | 0 | 110 | Q228 Y253 V254 | E224-Q228 CarbonylContact C-O 3.57Å; E224-Q228 WeakPolarHBondContact CA-O 3.34Å; E224-Q228 WeakPolarHBondContact CB-O 3.41Å; E224-Y253 CarbonylContact O-C 3.58Å; E224-Y253 WeakPolarHBondContact O-CA 3.25Å; E224-V254 HydrophobicContact CG-CB 3.59Å; E224-V254 HydrophobicContact CG-CG1 4.49Å; E224-V254 HydrophobicContact CG-CG2 4.24Å; E224-V254 PolarHBondContact N-O 2.82Å; E224-V254 PolarHBondContact O-N 3.27Å; E224-V254 WeakPolarHBondContact OE1-CB 3.38Å |
| 225 | S | 92.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 15% | 0.154 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.7 | 170.8 | -171.6 | 0 | 0 | 0 | 0 | 108 | G227 Q228 R252 | S225-G227 PolarHBondContact O-N 2.96Å; S225-Q228 PolarHBondContact N-O 2.01Å; S225-Q228 PolarHBondContact O-N 3.43Å; S225-R252 WeakPolarHBondContact CA-O 3.5Å |
| 226 | D | 86.6 | Confident | 92.5 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.9 | -179.1 | -56.8 | -41.4 | 0 | 0 | 0 | 113.8 | R252 | D226-R252 PolarHBondContact N-O 3.05Å; D226-R252 PolarHBondContact OD1-N 2.75Å |
| 227 | G | 87.8 | Confident | 92.1 | Very high | 52 Ų | 52 | 70 Ų | 70 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 2.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S225 | S225-G227 PolarHBondContact O-N 2.96Š|
| 228 | Q | 92.5 | Very high | 91.9 | Very high | 138 Ų | 138 | 68.7 Ų | 68.7 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.7 | 175.3 | -64.5 | -61.3 | -34.3 | 0 | 0 | 111.3 | E224 S225 | E224-Q228 CarbonylContact C-O 3.57Å; E224-Q228 WeakPolarHBondContact CA-O 3.34Å; E224-Q228 WeakPolarHBondContact CB-O 3.41Å; S225-Q228 PolarHBondContact N-O 2.01Å; S225-Q228 PolarHBondContact O-N 3.43Å |
| 229 | P | 93.9 | Very high | 91.8 | Very high | 108 Ų | 108 | 64.9 Ų | 64.9 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135.8 | -179.5 | 27.3 | -33.7 | 0 | 0 | 0 | 111.6 | ||
| 230 | V | 92.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.1 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | W223 L240 | W223-V230 HydrophobicContact CB-CB 4.1Å; W223-V230 PolarHBondContact O-N 2.89Å; V230-L240 HydrophobicContact CG1-CD1 3.74Å; V230-L240 HydrophobicContact CG1-CD2 4.23Å |
| 231 | S | 90 | Very high | 91.4 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 75% | 0.748 | 38% | 0.381 | S | S | * | . | trans | -102.7 | -31.9 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | G233 A234 | S231-G233 PolarHBondContact O-N 2.73Å; S231-A234 PolarHBondContact O-N 3.29Å | ||
| 232 | S | 90.1 | Very high | 91 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 70% | 0.699 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 124.8 | 178.4 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | A234 | S232-A234 PolarHBondContact O-N 2.9Š|
| 233 | G | 87.8 | Confident | 90.3 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -1.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S231 S241 | S231-G233 PolarHBondContact O-N 2.73Å; G233-S241 PolarHBondContact O-N 3.03Å |
| 234 | A | 92.5 | Very high | 89.3 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -80.4 | 134.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S231 S232 V239 L240 | S231-A234 PolarHBondContact O-N 3.29Å; S232-A234 PolarHBondContact O-N 2.9Å; A234-V239 CarbonylContact C-O 3.56Å; A234-L240 HydrophobicContact CB-CD1 4.1Å |
| 235 | Q | 91.7 | Very high | 88.2 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | trans | -117.4 | 149.1 | 179 | -57.5 | 177.4 | 23.5 | 0 | 0 | 110.2 | S237 G238 V239 | Q235-S237 WeakPolarHBondContact CB-OG 3.38Å; Q235-S237 PolarHBondContact O-N 2.73Å; Q235-S237 PolarHBondContact OE1-OG 2.95Å; Q235-G238 PolarHBondContact O-N 3.27Å; Q235-V239 HydrophobicContact CB-CB 4.29Å; Q235-V239 HydrophobicContact CG-CB 4.42Å; Q235-V239 PolarHBondContact N-O 3.34Å | ||
| 236 | D | 88.6 | Confident | 87.2 | Confident | 148 Ų | 148 | 69.1 Ų | 69.1 | 79% | 0.791 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.8 | 176.2 | -66.2 | -21.1 | 0 | 0 | 0 | 113.3 | F221 G238 | F221-D236 WeakPolarHBondContact CD2-O 3.11Å; D236-G238 PolarHBondContact O-N 2.95Å |
| 237 | S | 88.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.2 | 174.1 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | Q235 | Q235-S237 WeakPolarHBondContact CB-OG 3.38Å; Q235-S237 PolarHBondContact O-N 2.73Å; Q235-S237 PolarHBondContact OE1-OG 2.95Å |
| 238 | G | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 84.4 | 16.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C211 F221 W223 Q235 D236 | C211-G238 PolarHBondContact N-O 2.97Å; F221-G238 VanDerWaalsContact CG-CA 3.43Å; W223-G238 VanDerWaalsContact CZ2-O 3.3Å; W223-G238 WeakPolarHBondContact CZ2-O 3.46Å; Q235-G238 PolarHBondContact O-N 3.27Å; D236-G238 PolarHBondContact O-N 2.95Å |
| 239 | V | 91.1 | Very high | 85.7 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.8 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L209 T210 A234 Q235 | L209-V239 CarbonylContact O-C 3.57Å; L209-V239 WeakPolarHBondContact O-CA 3.34Å; T210-V239 HydrophobicContact CG2-CB 4.48Å; T210-V239 HydrophobicContact CG2-CG1 4.26Å; T210-V239 HydrophobicContact CG2-CG2 3.88Å; A234-V239 CarbonylContact C-O 3.56Å; Q235-V239 HydrophobicContact CB-CB 4.29Å; Q235-V239 HydrophobicContact CG-CB 4.42Å; Q235-V239 PolarHBondContact N-O 3.34Å |
| 240 | L | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.2 | 167.8 | 175.7 | 62.6 | 0 | 0 | 0 | 109.2 | R208 L209 W223 V230 A234 L242 Y253 | R208-L240 WeakPolarHBondContact CA-O 3.33Å; L209-L240 HydrophobicContact CB-CB 4.39Å; L209-L240 HydrophobicContact CD1-CD2 4.39Å; L209-L240 PolarHBondContact N-O 2.88Å; L209-L240 PolarHBondContact O-N 3.15Å; W223-L240 HydrophobicContact CB-CD2 4.1Å; W223-L240 HydrophobicContact CD2-CB 3.65Å; W223-L240 HydrophobicContact CD2-CD2 3.71Å; W223-L240 HydrophobicContact CD2-CG 4.28Å; W223-L240 VanDerWaalsContact CE2-CB 3.46Å; W223-L240 HydrophobicContact CE3-CB 4.16Å; W223-L240 HydrophobicContact CE3-CD2 3.63Å; W223-L240 HydrophobicContact CG-CB 3.98Å; W223-L240 HydrophobicContact CG-CD2 3.93Å; W223-L240 HydrophobicContact CG-CG 4.39Å; W223-L240 HydrophobicContact CH2-CB 4.3Å; W223-L240 HydrophobicContact CZ2-CB 3.81Å; W223-L240 HydrophobicContact CZ3-CB 4.45Å; W223-L240 HydrophobicContact CZ3-CD2 4.25Å; V230-L240 HydrophobicContact CG1-CD1 3.74Å; V230-L240 HydrophobicContact CG1-CD2 4.23Å; A234-L240 HydrophobicContact CB-CD1 4.1Å; L240-L242 HydrophobicContact CD1-CD2 4.13Å; L240-L242 HydrophobicContact CD2-CD1 4.34Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.24Å; L240-L242 HydrophobicContact CG-CD2 3.98Å; L240-L242 HydrophobicContact CG-CG 4.03Å; L240-Y253 HydrophobicContact CD2-CD1 3.72Å; L240-Y253 HydrophobicContact CD2-CE1 4.18Å |
| 241 | S | 89.4 | Confident | 84.9 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.1 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | V207 G233 | V207-S241 CarbonylContact O-C 3.56Å; V207-S241 WeakPolarHBondContact O-CA 3.24Å; G233-S241 PolarHBondContact O-N 3.03Å |
| 242 | L | 87 | Confident | 85 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.8 | 178.5 | -61.9 | 170.4 | 0 | 0 | 0 | 109.3 | V206 V207 L209 L240 Y253 L272 | V206-L242 CarbonylContact C-O 3.51Å; V206-L242 WeakPolarHBondContact CA-O 3.42Å; V207-L242 HydrophobicContact CB-CB 4.45Å; V207-L242 PolarHBondContact N-O 3.29Å; V207-L242 PolarHBondContact O-N 2.79Å; L209-L242 HydrophobicContact CD1-CD1 4.03Å; L209-L242 HydrophobicContact CG-CD1 4.48Å; L240-L242 HydrophobicContact CD1-CD2 4.13Å; L240-L242 HydrophobicContact CD2-CD1 4.34Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.24Å; L240-L242 HydrophobicContact CG-CD2 3.98Å; L240-L242 HydrophobicContact CG-CG 4.03Å; L242-Y253 HydrophobicContact CD1-CD1 4.16Å; L242-Y253 HydrophobicContact CD1-CD2 4.49Å; L242-Y253 HydrophobicContact CD1-CE1 3.63Å; L242-Y253 HydrophobicContact CD1-CE2 4.03Å; L242-Y253 HydrophobicContact CD2-CE1 3.96Å; L242-Y253 HydrophobicContact CG-CE1 4.44Å; L242-L272 HydrophobicContact CD1-CD2 3.72Å |
| 243 | Q | 81.4 | Confident | 85 | Confident | 120 Ų | 120 | 59.8 Ų | 59.8 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113.7 | 164.9 | -73 | -179.8 | -29.8 | 0 | 0 | 107.5 | V206 F245 | V206-Q243 HydrophobicContact CG2-CG 4.23Å; Q243-F245 HydrophobicContact CB-CD2 3.84Å; Q243-F245 HydrophobicContact CB-CE1 4.32Å; Q243-F245 HydrophobicContact CB-CE2 3.25Å; Q243-F245 HydrophobicContact CB-CZ 3.55Å; Q243-F245 HydrophobicContact CG-CE2 4.18Å; Q243-F245 HydrophobicContact CG-CZ 4.12Å; Q243-F245 WeakPolarHBondContact O-CD2 3.26Å; Q243-F245 PolarHBondContact O-N 3.29Å; Q243-F245 VanDerWaalsContact OE1-CE2 3.24Å |
| 244 | T | 74.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | trans | -85.6 | 90.7 | -179.9 | 60.7 | 0 | 0 | 0 | 0 | 109.3 | Q205 V207 E249 V274 | Q205-T244 PolarHBondContact O-OG1 2.9Å; V207-T244 HydrophobicContact CB-CG2 4.43Å; V207-T244 HydrophobicContact CG2-CG2 3.71Å; T244-E249 VanDerWaalsContact CA-OE2 3.28Å; T244-E249 WeakPolarHBondContact CA-OE2 3.38Å; T244-V274 HydrophobicContact CG2-CG2 3.71Å | ||
| 245 | F | 71.7 | Confident | 85.4 | Confident | 165 Ų | 165 | 56.7 Ų | 56.7 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | trans | -91.5 | -20.3 | 178 | -63.1 | -67.8 | 0 | 0 | 0 | 112.6 | Q243 E249 | Q243-F245 HydrophobicContact CB-CD2 3.84Å; Q243-F245 HydrophobicContact CB-CE1 4.32Å; Q243-F245 HydrophobicContact CB-CE2 3.25Å; Q243-F245 HydrophobicContact CB-CZ 3.55Å; Q243-F245 HydrophobicContact CG-CE2 4.18Å; Q243-F245 HydrophobicContact CG-CZ 4.12Å; Q243-F245 WeakPolarHBondContact O-CD2 3.26Å; Q243-F245 PolarHBondContact O-N 3.29Å; Q243-F245 VanDerWaalsContact OE1-CE2 3.24Å; F245-E249 PolarHBondContact N-OE2 3.16Å | ||
| 246 | S | 72.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -152.9 | 167.4 | -175.3 | 82.1 | 0 | 0 | 0 | 0 | 112.5 | N248 E249 V274 | S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 WeakPolarHBondContact OG-CB 3.25Å; S246-N248 PolarHBondContact OG-N 2.83Å; S246-E249 PolarHBondContact N-OE2 3.21Å; S246-E249 PolarHBondContact O-N 2.81Å; S246-E249 PolarHBondContact OG-OE1 3.17Å; S246-V274 VanDerWaalsContact O-CG1 3.26Å; S246-V274 WeakPolarHBondContact O-CG1 3.2Å |
| 247 | T | 74.6 | Confident | 86 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -66.3 | -14.9 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | E249 S250 V274 D276 | T247-E249 PolarHBondContact O-N 3.43Å; T247-S250 WeakPolarHBondContact O-CB 3.48Å; T247-S250 PolarHBondContact O-N 2.78Å; T247-S250 PolarHBondContact O-OG 3Å; T247-V274 WeakPolarHBondContact CG2-O 3.47Å; T247-D276 HydrophobicContact CG2-CB 3.84Å |
| 248 | N | 79.8 | Confident | 86.3 | Confident | 140 Ų | 140 | 45.2 Ų | 45.2 | 75% | 0.749 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -69.6 | -16.5 | 179.3 | -64.8 | -31.5 | 0 | 0 | 0 | 113.5 | S246 S250 | S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 WeakPolarHBondContact OG-CB 3.25Å; S246-N248 PolarHBondContact OG-N 2.83Å; N248-S250 PolarHBondContact O-N 2.99Å |
| 249 | E | 80.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -78.8 | -2.6 | 172.6 | -62.2 | 91 | -129.7 | 0 | 0 | 112.3 | T244 F245 S246 T247 Y253 L272 V274 | T244-E249 VanDerWaalsContact CA-OE2 3.28Å; T244-E249 WeakPolarHBondContact CA-OE2 3.38Å; F245-E249 PolarHBondContact N-OE2 3.16Å; S246-E249 PolarHBondContact N-OE2 3.21Å; S246-E249 PolarHBondContact O-N 2.81Å; S246-E249 PolarHBondContact OG-OE1 3.17Å; T247-E249 PolarHBondContact O-N 3.43Å; E249-Y253 VanDerWaalsContact O-CE2 3.29Å; E249-Y253 WeakPolarHBondContact O-CE2 3.16Å; E249-Y253 PolarHBondContact O-OH 3.22Å; E249-L272 WeakPolarHBondContact O-CD2 3.29Å; E249-V274 HydrophobicContact CB-CG2 4.19Å |
| 250 | S | 83.9 | Confident | 86.6 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | trans | -65.9 | 143.2 | 165.1 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | T247 N248 L272 V274 | T247-S250 WeakPolarHBondContact O-CB 3.48Å; T247-S250 PolarHBondContact O-N 2.78Å; T247-S250 PolarHBondContact O-OG 3Å; N248-S250 PolarHBondContact O-N 2.99Å; S250-L272 CarbonylContact C-O 3.6Å; S250-L272 VanDerWaalsContact CA-O 3.24Å; S250-L272 WeakPolarHBondContact CA-O 2.89Å; S250-L272 WeakPolarHBondContact CB-O 3.43Å; S250-V274 WeakPolarHBondContact OG-CA 3.4Å; S250-V274 WeakPolarHBondContact OG-CB 3.49Å; S250-V274 PolarHBondContact OG-N 2.93Å; S250-V274 PolarHBondContact OG-O 2.98Å | ||
| 251 | G | 87.4 | Confident | 86.6 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -175.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L272 | G251-L272 PolarHBondContact N-O 3.39Å; G251-L272 PolarHBondContact O-N 2.94Å |
| 252 | R | 90.3 | Very high | 86.7 | Confident | 134 Ų | 134 | 51.4 Ų | 51.4 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111 | 175.3 | -177.3 | 178.7 | 171.6 | -141.6 | -2.7 | 109.4 | S225 D226 V254 S269 Y270 | S225-R252 WeakPolarHBondContact CA-O 3.5Å; D226-R252 PolarHBondContact N-O 3.05Å; D226-R252 PolarHBondContact OD1-N 2.75Å; R252-V254 HydrophobicContact CG-CG2 4.14Å; R252-S269 PolarHBondContact NE-OG 3.32Å; R252-S269 PolarHBondContact NH2-OG 3.02Å; R252-Y270 WeakPolarHBondContact CA-O 3.27Å |
| 253 | Y | 91.1 | Very high | 86.9 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.7 | 171.8 | -67 | -95.3 | 0 | 0 | 0 | 109.5 | L209 E224 L240 L242 E249 S269 Y270 L272 | L209-Y253 HydrophobicContact CD1-CD1 4.32Å; L209-Y253 HydrophobicContact CD1-CD2 4.17Å; L209-Y253 HydrophobicContact CD1-CG 3.8Å; E224-Y253 CarbonylContact O-C 3.58Å; E224-Y253 WeakPolarHBondContact O-CA 3.25Å; L240-Y253 HydrophobicContact CD2-CD1 3.72Å; L240-Y253 HydrophobicContact CD2-CE1 4.18Å; L242-Y253 HydrophobicContact CD1-CD1 4.16Å; L242-Y253 HydrophobicContact CD1-CD2 4.49Å; L242-Y253 HydrophobicContact CD1-CE1 3.63Å; L242-Y253 HydrophobicContact CD1-CE2 4.03Å; L242-Y253 HydrophobicContact CD2-CE1 3.96Å; L242-Y253 HydrophobicContact CG-CE1 4.44Å; E249-Y253 VanDerWaalsContact O-CE2 3.29Å; E249-Y253 WeakPolarHBondContact O-CE2 3.16Å; E249-Y253 PolarHBondContact O-OH 3.22Å; Y253-S269 CarbonylContact O-C 3.59Å; Y253-S269 WeakPolarHBondContact O-CA 3.47Å; Y253-Y270 PolarHBondContact N-O 2.78Å; Y253-Y270 PolarHBondContact O-N 2.84Å; Y253-L272 HydrophobicContact CD2-CB 3.99Å; Y253-L272 HydrophobicContact CD2-CD2 4.47Å; Y253-L272 HydrophobicContact CE2-CB 3.89Å; Y253-L272 HydrophobicContact CE2-CD2 3.85Å; Y253-L272 HydrophobicContact CE2-CG 4.48Å |
| 254 | V | 93.9 | Very high | 87.5 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.5 | 176.1 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | W223 E224 R252 Q268 | W223-V254 WeakPolarHBondContact CA-O 3.42Å; E224-V254 HydrophobicContact CG-CB 3.59Å; E224-V254 HydrophobicContact CG-CG1 4.49Å; E224-V254 HydrophobicContact CG-CG2 4.24Å; E224-V254 PolarHBondContact N-O 2.82Å; E224-V254 PolarHBondContact O-N 3.27Å; E224-V254 WeakPolarHBondContact OE1-CB 3.38Å; R252-V254 HydrophobicContact CG-CG2 4.14Å; V254-Q268 CarbonylContact C-O 3.57Å; V254-Q268 WeakPolarHBondContact CA-O 3.39Å |
| 255 | C | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.7 | 168.3 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | C211 S222 W223 T267 Q268 Y270 | C211-C255 HydrophobicContact CB-CB 3.57Å; C211-C255 WeakPolarHBondContact CB-SG 3.38Å; S222-C255 CarbonylContact O-C 3.6Å; S222-C255 WeakPolarHBondContact O-CA 3.39Å; W223-C255 HydrophobicContact CD2-CB 3.86Å; W223-C255 HydrophobicContact CE3-CB 3.78Å; W223-C255 HydrophobicContact CH2-CB 3.66Å; W223-C255 HydrophobicContact CZ2-CB 3.72Å; W223-C255 HydrophobicContact CZ3-CB 3.68Å; C255-T267 CarbonylContact O-C 3.59Å; C255-T267 WeakPolarHBondContact O-CA 3.45Å; C255-Q268 PolarHBondContact N-O 2.9Å; C255-Q268 PolarHBondContact O-N 2.83Å; C255-Y270 HydrophobicContact CB-CE2 4.35Å |
| 256 | T | 95.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.9 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | F221 S222 T265 T267 | F221-T256 CarbonylContact C-O 3.56Å; F221-T256 WeakPolarHBondContact CA-O 3.43Å; S222-T256 PolarHBondContact N-O 3.26Å; S222-T256 PolarHBondContact O-N 3.22Å; T256-T265 HydrophobicContact CG2-CG2 4.37Å; T256-T267 HydrophobicContact CG2-CG2 3.95Å; T256-T267 WeakPolarHBondContact OG1-CG2 3.36Å |
| 257 | A | 96.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P192 C195 A219 T220 F221 T265 S266 | P192-A257 HydrophobicContact CB-CB 3.98Å; P192-A257 HydrophobicContact CG-CB 4.15Å; C195-A257 HydrophobicContact CB-CB 4.36Å; A219-A257 HydrophobicContact CB-CB 4.01Å; T220-A257 CarbonylContact O-C 3.51Å; T220-A257 WeakPolarHBondContact O-CA 3.37Å; F221-A257 HydrophobicContact CD1-CB 3.84Å; F221-A257 HydrophobicContact CE1-CB 3.65Å; F221-A257 HydrophobicContact CZ-CB 4.39Å; A257-T265 CarbonylContact O-C 3.58Å; A257-T265 WeakPolarHBondContact O-CA 3.24Å; A257-S266 PolarHBondContact N-O 3.14Å; A257-S266 PolarHBondContact O-N 3Å |
| 258 | T | 95.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.1 | -178 | -55.8 | 0 | 0 | 0 | 0 | 111 | A219 T220 T265 | A219-T258 CarbonylContact C-O 3.45Å; A219-T258 WeakPolarHBondContact CA-O 3.28Å; A219-T258 WeakPolarHBondContact CB-O 3.19Å; T220-T258 PolarHBondContact N-O 3.4Å; T220-T258 PolarHBondContact O-N 3.02Å; T220-T258 PolarHBondContact OG1-O 3.08Å; T258-T265 HydrophobicContact CG2-CG2 4Å |
| 259 | N | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -97.9 | 129.3 | 173.1 | 179.2 | -58.6 | 0 | 0 | 0 | 110.8 | Y190 P192 S215 L216 P217 V261 T262 R263 G264 | Y190-N259 PolarHBondContact O-ND2 2.78Å; P192-N259 HydrophobicContact CG-CB 4.24Å; S215-N259 PolarHBondContact OG-ND2 2.88Å; L216-N259 PolarHBondContact O-ND2 3.28Å; P217-N259 PolarHBondContact O-ND2 2.96Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3Å; N259-V261 WeakPolarHBondContact OD1-CA 3.46Å; N259-V261 PolarHBondContact OD1-N 2.84Å; N259-T262 WeakPolarHBondContact CB-OG1 3.35Å; N259-T262 PolarHBondContact OD1-N 3.19Å; N259-T262 PolarHBondContact OD1-OG1 3.04Å; N259-R263 WeakPolarHBondContact O-CA 3.29Å; N259-R263 PolarHBondContact O-N 2.71Å; N259-G264 PolarHBondContact N-O 3.38Å | ||
| 260 | S | 92.8 | Very high | 92.4 | Very high | 91 Ų | 91 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.1 | -174.8 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 261 | V | 91.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -51.4 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | Y189 P217 N259 R263 | Y189-V261 HydrophobicContact CD2-CB 3.95Å; Y189-V261 HydrophobicContact CD2-CG1 3.38Å; Y189-V261 HydrophobicContact CD2-CG2 4.14Å; Y189-V261 HydrophobicContact CE2-CB 4.32Å; Y189-V261 HydrophobicContact CE2-CG1 3.78Å; Y189-V261 HydrophobicContact CE2-CG2 4.02Å; Y189-V261 HydrophobicContact CG-CB 4.43Å; Y189-V261 HydrophobicContact CG-CG1 4.23Å; P217-V261 HydrophobicContact CG-CG2 3.72Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3Å; N259-V261 WeakPolarHBondContact OD1-CA 3.46Å; N259-V261 PolarHBondContact OD1-N 2.84Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å |
| 262 | T | 91.2 | Very high | 92.4 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.3 | -178.3 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | V115 S191 N259 G264 | V115-T262 HydrophobicContact CG1-CG2 3.82Å; S191-T262 WeakPolarHBondContact CA-OG1 3.43Å; S191-T262 VanDerWaalsContact OG-CB 3.26Å; S191-T262 WeakPolarHBondContact OG-CB 3.48Å; S191-T262 PolarHBondContact OG-OG1 2.9Å; N259-T262 WeakPolarHBondContact CB-OG1 3.35Å; N259-T262 PolarHBondContact OD1-N 3.19Å; N259-T262 PolarHBondContact OD1-OG1 3.04Å; T262-G264 PolarHBondContact O-N 2.93Å; T262-G264 PolarHBondContact OG1-N 3.29Å |
| 263 | R | 91.9 | Very high | 91.9 | Very high | 214 Ų | 214 | 49.1 Ų | 49.1 | 81% | 0.808 | 28% | 0.279 | S | S | * | . | trans | 55.8 | 11.9 | -170.1 | -56.1 | -173.8 | -180 | -170.7 | -0.2 | 114 | N259 V261 | N259-R263 WeakPolarHBondContact O-CA 3.29Å; N259-R263 PolarHBondContact O-N 2.71Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å | ||
| 264 | G | 92.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | trans | -75.4 | 145.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | P192 N259 T262 | P192-G264 VanDerWaalsContact CD-O 3.27Å; P192-G264 WeakPolarHBondContact CD-O 3.27Å; N259-G264 PolarHBondContact N-O 3.38Å; T262-G264 PolarHBondContact O-N 2.93Å; T262-G264 PolarHBondContact OG1-N 3.29Å | ||
| 265 | T | 95.1 | Very high | 90.2 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.4 | -179.9 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | T256 A257 T258 | T256-T265 HydrophobicContact CG2-CG2 4.37Å; A257-T265 CarbonylContact O-C 3.58Å; A257-T265 WeakPolarHBondContact O-CA 3.24Å; T258-T265 HydrophobicContact CG2-CG2 4Å |
| 266 | S | 96 | Very high | 89 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.8 | 169.3 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | P192 K194 C195 A257 | P192-S266 WeakPolarHBondContact O-CB 3.39Å; K194-S266 WeakPolarHBondContact CA-OG 3.42Å; C195-S266 PolarHBondContact N-OG 2.73Å; A257-S266 PolarHBondContact N-O 3.14Å; A257-S266 PolarHBondContact O-N 3Å |
| 267 | T | 94 | Very high | 87.4 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153.2 | -174.1 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | C255 T256 | C255-T267 CarbonylContact O-C 3.59Å; C255-T267 WeakPolarHBondContact O-CA 3.45Å; T256-T267 HydrophobicContact CG2-CG2 3.95Å; T256-T267 WeakPolarHBondContact OG1-CG2 3.36Å |
| 268 | Q | 92.7 | Very high | 85.9 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.2 | 173 | -179.8 | 57.6 | 47.3 | 0 | 0 | 109.6 | C195 C211 V254 C255 Y270 | C195-Q268 HydrophobicContact CB-CB 4.03Å; C195-Q268 PolarHBondContact O-OE1 3.37Å; C211-Q268 VanDerWaalsContact SG-CB 3.52Å; V254-Q268 CarbonylContact C-O 3.57Å; V254-Q268 WeakPolarHBondContact CA-O 3.39Å; C255-Q268 PolarHBondContact N-O 2.9Å; C255-Q268 PolarHBondContact O-N 2.83Å; Q268-Y270 HydrophobicContact CB-CE2 4.23Å; Q268-Y270 HydrophobicContact CG-CE1 4.31Å; Q268-Y270 HydrophobicContact CG-CE2 3.76Å |
| 269 | S | 91.3 | Very high | 83.9 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.7 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | R252 Y253 | R252-S269 PolarHBondContact NE-OG 3.32Å; R252-S269 PolarHBondContact NH2-OG 3.02Å; Y253-S269 CarbonylContact O-C 3.59Å; Y253-S269 WeakPolarHBondContact O-CA 3.47Å |
| 270 | Y | 87.6 | Confident | 82 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 12% | 0.118 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.2 | 174.7 | -51.9 | -97.9 | 0 | 0 | 0 | 108.4 | G197 L209 T210 W223 R252 Y253 C255 Q268 | G197-Y270 WeakPolarHBondContact CA-OH 3.49Å; L209-Y270 HydrophobicContact CD1-CG 4.41Å; L209-Y270 HydrophobicContact CD2-CD1 4.29Å; L209-Y270 HydrophobicContact CD2-CG 4.38Å; T210-Y270 PolarHBondContact O-OH 2.8Å; W223-Y270 AromaticContact CH2-CD2 3.97Å; W223-Y270 HydrophobicContact CH2-CD2 3.97Å; W223-Y270 AromaticContact CH2-CE2 3.45Å; W223-Y270 HydrophobicContact CH2-CE2 3.45Å; W223-Y270 VanDerWaalsContact CH2-CE2 3.45Å; W223-Y270 AromaticContact CZ3-CD2 3.68Å; W223-Y270 HydrophobicContact CZ3-CD2 3.68Å; W223-Y270 AromaticContact CZ3-CE2 3.57Å; W223-Y270 HydrophobicContact CZ3-CE2 3.57Å; R252-Y270 WeakPolarHBondContact CA-O 3.27Å; Y253-Y270 PolarHBondContact N-O 2.78Å; Y253-Y270 PolarHBondContact O-N 2.84Å; C255-Y270 HydrophobicContact CB-CE2 4.35Å; Q268-Y270 HydrophobicContact CB-CE2 4.23Å; Q268-Y270 HydrophobicContact CG-CE1 4.31Å; Q268-Y270 HydrophobicContact CG-CE2 3.76Å |
| 271 | N | 86.4 | Confident | 80.1 | Confident | 142 Ų | 142 | 79.1 Ų | 79.1 | 76% | 0.759 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.5 | 173.3 | -64.3 | -26.9 | 0 | 0 | 0 | 107.8 | ||
| 272 | L | 84.4 | Confident | 78.3 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 6% | 0.058 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.5 | 178.3 | -177.6 | 60.6 | 0 | 0 | 0 | 109.4 | V201 V207 L242 E249 S250 G251 Y253 V274 | V201-L272 HydrophobicContact CG1-CD1 3.83Å; V207-L272 HydrophobicContact CG1-CD1 4.29Å; L242-L272 HydrophobicContact CD1-CD2 3.72Å; E249-L272 WeakPolarHBondContact O-CD2 3.29Å; S250-L272 CarbonylContact C-O 3.6Å; S250-L272 VanDerWaalsContact CA-O 3.24Å; S250-L272 WeakPolarHBondContact CA-O 2.89Å; S250-L272 WeakPolarHBondContact CB-O 3.43Å; G251-L272 PolarHBondContact N-O 3.39Å; G251-L272 PolarHBondContact O-N 2.94Å; Y253-L272 HydrophobicContact CD2-CB 3.99Å; Y253-L272 HydrophobicContact CD2-CD2 4.47Å; Y253-L272 HydrophobicContact CE2-CB 3.89Å; Y253-L272 HydrophobicContact CE2-CD2 3.85Å; Y253-L272 HydrophobicContact CE2-CG 4.48Å; L272-V274 HydrophobicContact CD2-CG2 4.24Å; L272-V274 HydrophobicContact CG-CG2 4.13Å |
| 273 | A | 79.8 | Confident | 76.6 | Confident | 64 Ų | 64 | 85.5 Ų | 85.5 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | trans | -118.2 | 112.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 274 | V | 78.1 | Confident | 74.8 | Confident | 15 Ų | 15 | 79.6 Ų | 79.6 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | trans | -100 | 120.4 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | T244 S246 T247 E249 S250 L272 | T244-V274 HydrophobicContact CG2-CG2 3.71Å; S246-V274 VanDerWaalsContact O-CG1 3.26Å; S246-V274 WeakPolarHBondContact O-CG1 3.2Å; T247-V274 WeakPolarHBondContact CG2-O 3.47Å; E249-V274 HydrophobicContact CB-CG2 4.19Å; S250-V274 WeakPolarHBondContact OG-CA 3.4Å; S250-V274 WeakPolarHBondContact OG-CB 3.49Å; S250-V274 PolarHBondContact OG-N 2.93Å; S250-V274 PolarHBondContact OG-O 2.98Å; L272-V274 HydrophobicContact CD2-CG2 4.24Å; L272-V274 HydrophobicContact CG-CG2 4.13Å | ||
| 275 | V | 72.3 | Confident | 73 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | trans | -112.9 | 131.6 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | V203 | V203-V275 VanDerWaalsContact CG1-O 3.25Å; V203-V275 WeakPolarHBondContact CG1-O 3.04Å | ||
| 276 | D | 68.2 | Low | 71.2 | Confident | 117 Ų | 117 | 79.5 Ų | 79.5 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | trans | -80.1 | 125.3 | 169.7 | -166 | 0.4 | 0 | 0 | 0 | 108.9 | T247 C278 | T247-D276 HydrophobicContact CG2-CB 3.84Å; D276-C278 PolarHBondContact O-N 3.38Å | ||
| 277 | V | 63.6 | Low | 69.5 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 70% | 0.697 | 51% | 0.509 | S | S | * | . | trans | -89.6 | 84.4 | 175.4 | -169.5 | 0 | 0 | 0 | 0 | 107 | F279 | V277-F279 PolarHBondContact O-N 3.14Š| ||
| 278 | C | 63.8 | Low | 68.1 | Low | 98 Ų | 98 | 84.3 Ų | 84.3 | 66% | 0.662 | 51% | 0.508 | S | S | * | . | trans | -63.2 | 102.5 | 168.4 | -67.7 | 0 | 0 | 0 | 0 | 108.6 | D276 D280 | D276-C278 PolarHBondContact O-N 3.38Å; C278-D280 PolarHBondContact O-N 3.2Å; C278-D280 VanDerWaalsContact O-N 3.13Å | ||
| 279 | F | 53.1 | Low | 67 | Low | 183 Ų | 183 | 86.6 Ų | 86.6 | 80% | 0.803 | 52% | 0.521 | S | S | * | . | trans | -76.5 | 95 | 165.8 | -155.7 | -92.9 | 0 | 0 | 0 | 106.8 | V277 G281 | V277-F279 PolarHBondContact O-N 3.14Å; F279-G281 PolarHBondContact O-N 2.8Å | ||
| 280 | D | 55.7 | Low | 65.9 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 80% | 0.797 | 53% | 0.53 | S | S | * | . | trans | -63.1 | 81.9 | 170.7 | -96.4 | -29.5 | 0 | 0 | 0 | 108.9 | C278 G282 | C278-D280 PolarHBondContact O-N 3.2Å; C278-D280 VanDerWaalsContact O-N 3.13Å; D280-G282 PolarHBondContact O-N 2.78Å | ||
| 281 | G | 52.6 | Low | 65.4 | Low | 40 Ų | 40 | 88.2 Ų | 88.2 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 13.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F279 | F279-G281 PolarHBondContact O-N 2.8Š|
| 282 | G | 54 | Low | 65.1 | Low | 67 Ų | 67 | 88.9 Ų | 88.9 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -24.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D280 | D280-G282 PolarHBondContact O-N 2.78Š|
| 283 | E | 54.8 | Low | 65 | Low | 160 Ų | 160 | 93 Ų | 93 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -28.4 | -172.9 | -127.9 | 179.6 | 176.2 | 0 | 0 | 113.9 | ||
| 284 | V | 54.8 | Low | 65.2 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.4 | -28.6 | -177.4 | -86.1 | 0 | 0 | 0 | 0 | 113.5 | V288 | V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.44Å; V284-V288 PolarHBondContact O-N 3.19Å |
| 285 | A | 56.1 | Low | 65.6 | Low | 55 Ų | 55 | 96.1 Ų | 96.1 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I289 | A285-I289 WeakPolarHBondContact O-CB 3.33Å; A285-I289 WeakPolarHBondContact O-CD1 3.43Å; A285-I289 WeakPolarHBondContact O-CG1 2.98Å; A285-I289 PolarHBondContact O-N 2.91Å; A285-I289 VanDerWaalsContact O-N 3.15Å |
| 286 | G | 55.7 | Low | 66.4 | Low | 49 Ų | 49 | 97 Ų | 97 | 51% | 0.505 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.8 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G290 | G286-G290 PolarHBondContact O-N 2.8Å |
| 287 | I | 61.2 | Low | 67.3 | Low | 121 Ų | 121 | 96 Ų | 96 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.9 | -41.8 | -179.5 | -63.6 | 172.7 | 0 | 0 | 0 | 111.1 | A291 | I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.96Å |
| 288 | V | 65.1 | Low | 68.6 | Low | 79 Ų | 79 | 95.2 Ų | 95.2 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.6 | -45.3 | -179.9 | 176 | 0 | 0 | 0 | 0 | 110.9 | V284 G290 A291 F292 | V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.44Å; V284-V288 PolarHBondContact O-N 3.19Å; V288-G290 PolarHBondContact O-N 2.64Å; V288-A291 PolarHBondContact O-N 2.75Å; V288-F292 HydrophobicContact CG1-CD2 3.84Å; V288-F292 HydrophobicContact CG1-CE2 3.81Å; V288-F292 VanDerWaalsContact O-CD2 3.27Å; V288-F292 WeakPolarHBondContact O-CD2 3.33Å; V288-F292 PolarHBondContact O-N 2.66Å; V288-F292 VanDerWaalsContact O-N 3.11Å |
| 289 | I | 68.4 | Low | 69.9 | Low | 105 Ų | 105 | 93.8 Ų | 93.8 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 178.6 | -64 | 167 | 0 | 0 | 0 | 110.9 | A285 A291 F292 L293 | A285-I289 WeakPolarHBondContact O-CB 3.33Å; A285-I289 WeakPolarHBondContact O-CD1 3.43Å; A285-I289 WeakPolarHBondContact O-CG1 2.98Å; A285-I289 PolarHBondContact O-N 2.91Å; A285-I289 VanDerWaalsContact O-N 3.15Å; I289-A291 PolarHBondContact O-N 3.47Å; I289-F292 PolarHBondContact O-N 2.67Å; I289-L293 HydrophobicContact CG2-CD1 3.89Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.95Å |
| 290 | G | 69 | Low | 71.6 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G286 V288 G294 | G286-G290 PolarHBondContact O-N 2.8Å; V288-G290 PolarHBondContact O-N 2.64Å; G290-G294 PolarHBondContact O-N 2.93Å |
| 291 | A | 76.8 | Confident | 73.2 | Confident | 60 Ų | 60 | 87.8 Ų | 87.8 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I287 V288 I289 G294 L295 | I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.96Å; V288-A291 PolarHBondContact O-N 2.75Å; I289-A291 PolarHBondContact O-N 3.47Å; A291-G294 PolarHBondContact O-N 3.32Å; A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 PolarHBondContact O-N 3.04Å |
| 292 | F | 80.2 | Confident | 75 | Confident | 156 Ų | 156 | 90.3 Ų | 90.3 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 177.8 | -86.8 | -74.1 | 0 | 0 | 0 | 112.7 | V288 I289 L295 L296 | V288-F292 HydrophobicContact CG1-CD2 3.84Å; V288-F292 HydrophobicContact CG1-CE2 3.81Å; V288-F292 VanDerWaalsContact O-CD2 3.27Å; V288-F292 WeakPolarHBondContact O-CD2 3.33Å; V288-F292 PolarHBondContact O-N 2.66Å; V288-F292 VanDerWaalsContact O-N 3.11Å; I289-F292 PolarHBondContact O-N 2.67Å; F292-L295 PolarHBondContact O-N 2.76Å; F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.84Å |
| 293 | L | 81.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176.1 | -73.7 | 170.4 | 0 | 0 | 0 | 111.9 | I289 L296 I297 | I289-L293 HydrophobicContact CG2-CD1 3.89Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.95Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.84Å |
| 294 | G | 83.4 | Confident | 78.2 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G290 A291 L296 I297 I298 | G290-G294 PolarHBondContact O-N 2.93Å; A291-G294 PolarHBondContact O-N 3.32Å; G294-L296 PolarHBondContact O-N 3.23Å; G294-I297 PolarHBondContact O-N 3.2Å; G294-I298 WeakPolarHBondContact O-CG1 3.08Å; G294-I298 PolarHBondContact O-N 2.96Å |
| 295 | L | 87.5 | Confident | 79.6 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 178.2 | -129.8 | 149 | 0 | 0 | 0 | 111.8 | A291 F292 I298 V299 | A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 PolarHBondContact O-N 3.04Å; F292-L295 PolarHBondContact O-N 2.76Å; L295-I298 PolarHBondContact O-N 2.94Å; L295-V299 HydrophobicContact CD2-CG2 4.36Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.49Å; L295-V299 PolarHBondContact O-N 2.78Å |
| 296 | L | 88.3 | Confident | 80.9 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 175.4 | -165.5 | 82.8 | 0 | 0 | 0 | 111.8 | F292 L293 G294 V299 L300 | F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.84Å; L293-L296 PolarHBondContact O-N 3.03Å; G294-L296 PolarHBondContact O-N 3.23Å; L296-V299 PolarHBondContact O-N 2.87Å; L296-L300 HydrophobicContact CG-CD1 4.41Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 2.78Å |
| 297 | I | 88 | Confident | 82.1 | Confident | 98 Ų | 98 | 93.3 Ų | 93.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.8 | -68.9 | 167.1 | 0 | 0 | 0 | 110.8 | L293 G294 V299 L300 L301 | L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.84Å; G294-I297 PolarHBondContact O-N 3.2Å; I297-V299 PolarHBondContact O-N 3.15Å; I297-L300 PolarHBondContact O-N 3.44Å; I297-L301 HydrophobicContact CG2-CD1 4.04Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.43Å; I297-L301 PolarHBondContact O-N 3.5Å |
| 298 | I | 90.1 | Very high | 82.9 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.3 | -68.9 | 167 | 0 | 0 | 0 | 110.7 | G294 L295 L300 L301 I302 | G294-I298 WeakPolarHBondContact O-CG1 3.08Å; G294-I298 PolarHBondContact O-N 2.96Å; L295-I298 PolarHBondContact O-N 2.94Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.44Å; I298-L301 PolarHBondContact O-N 2.69Å; I298-I302 HydrophobicContact CG2-CD1 3.77Å; I298-I302 HydrophobicContact CG2-CG1 4.43Å; I298-I302 VanDerWaalsContact O-CG1 3.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.75Å |
| 299 | V | 90.4 | Very high | 83.5 | Confident | 67 Ų | 67 | 91.6 Ų | 91.6 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L295 L296 I297 I302 L303 | L295-V299 HydrophobicContact CD2-CG2 4.36Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.49Å; L295-V299 PolarHBondContact O-N 2.78Å; L296-V299 PolarHBondContact O-N 2.87Å; I297-V299 PolarHBondContact O-N 3.15Å; V299-I302 PolarHBondContact O-N 3.44Å; V299-L303 HydrophobicContact CG1-CD1 3.96Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 WeakPolarHBondContact O-CG 3.23Å; V299-L303 PolarHBondContact O-N 3.27Å |
| 300 | L | 90 | Very high | 83.6 | Confident | 102 Ų | 102 | 96.1 Ų | 96.1 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.8 | -71.7 | 172.2 | 0 | 0 | 0 | 112.3 | L296 I297 I298 L303 F304 | L296-L300 HydrophobicContact CG-CD1 4.41Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 2.78Å; I297-L300 PolarHBondContact O-N 3.44Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.44Å; L300-L303 PolarHBondContact O-N 3.08Å; L300-F304 WeakPolarHBondContact O-CB 3.12Å; L300-F304 PolarHBondContact O-N 3.11Å |
| 301 | L | 89.4 | Confident | 83.5 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.2 | -73.7 | 172.3 | 0 | 0 | 0 | 112 | I297 I298 F304 L305 | I297-L301 HydrophobicContact CG2-CD1 4.04Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.43Å; I297-L301 PolarHBondContact O-N 3.5Å; I298-L301 PolarHBondContact O-N 2.69Å; L301-F304 PolarHBondContact O-N 2.89Å; L301-L305 WeakPolarHBondContact O-CB 2.81Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 2.73Å |
| 302 | I | 89.9 | Confident | 82.8 | Confident | 94 Ų | 94 | 110.8 Ų | 110.8 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.4 | -68.4 | 167.7 | 0 | 0 | 0 | 110.3 | I298 V299 F304 L305 V306 | I298-I302 HydrophobicContact CG2-CD1 3.77Å; I298-I302 HydrophobicContact CG2-CG1 4.43Å; I298-I302 VanDerWaalsContact O-CG1 3.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.75Å; V299-I302 PolarHBondContact O-N 3.44Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 2.92Å; I302-L305 PolarHBondContact O-N 3.5Å; I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 VanDerWaalsContact O-CG2 3.3Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.45Å |
| 303 | L | 87.3 | Confident | 81.6 | Confident | 98 Ų | 98 | 116.4 Ų | 116.4 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -43.6 | 176.5 | -75.8 | 169.4 | 0 | 0 | 0 | 111.6 | V299 L300 V306 V307 | V299-L303 HydrophobicContact CG1-CD1 3.96Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 WeakPolarHBondContact O-CG 3.23Å; V299-L303 PolarHBondContact O-N 3.27Å; L300-L303 PolarHBondContact O-N 3.08Å; L303-V306 PolarHBondContact O-N 2.93Å; L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.45Å |
| 304 | F | 87.8 | Confident | 81.5 | Confident | 137 Ų | 137 | 117.4 Ų | 117.4 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.4 | -46.5 | 175.8 | -175.9 | -95.4 | 0 | 0 | 0 | 111.7 | L300 L301 I302 V306 V307 F308 | L300-F304 WeakPolarHBondContact O-CB 3.12Å; L300-F304 PolarHBondContact O-N 3.11Å; L301-F304 PolarHBondContact O-N 2.89Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 2.92Å; F304-V306 PolarHBondContact O-N 2.61Å; F304-V307 PolarHBondContact O-N 2.8Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.11Å |
| 305 | L | 84.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 121.9 Ų | 121.9 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 176.2 | -76.1 | 168.5 | 0 | 0 | 0 | 112.1 | L301 I302 F308 V309 | L301-L305 WeakPolarHBondContact O-CB 2.81Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 2.73Å; I302-L305 PolarHBondContact O-N 3.5Å; L305-F308 PolarHBondContact O-N 3.37Å; L305-V309 WeakPolarHBondContact O-CB 3.18Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.21Å; L305-V309 PolarHBondContact O-N 3.46Å |
| 306 | V | 83.6 | Confident | 81.1 | Confident | 66 Ų | 66 | 122.4 Ų | 122.4 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | I302 L303 F304 R310 | I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 VanDerWaalsContact O-CG2 3.3Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.45Å; L303-V306 PolarHBondContact O-N 2.93Å; F304-V306 PolarHBondContact O-N 2.61Å; V306-R310 WeakPolarHBondContact O-CB 3.14Å; V306-R310 WeakPolarHBondContact O-CG 3.17Å; V306-R310 PolarHBondContact O-N 2.99Å |
| 307 | V | 81.8 | Confident | 80.7 | Confident | 79 Ų | 79 | 123.3 Ų | 123.3 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -41.8 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | L303 F304 R310 R311 | L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.45Å; F304-V307 PolarHBondContact O-N 2.8Å; V307-R310 PolarHBondContact O-N 3.14Å; V307-R311 PolarHBondContact O-N 3.09Å |
| 308 | F | 78.3 | Confident | 80.2 | Confident | 83 Ų | 83 | 124.9 Ų | 124.9 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -42.1 | 179.1 | -172.3 | -99.7 | 0 | 0 | 0 | 112.3 | F304 L305 R311 R312 | F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.11Å; L305-F308 PolarHBondContact O-N 3.37Å; F308-R311 PolarHBondContact O-N 3.03Å; F308-R312 VanDerWaalsContact CZ-NE 3.29Å; F308-R312 PolarHBondContact O-N 2.6Å |
| 309 | V | 76.3 | Confident | 79.6 | Confident | 82 Ų | 82 | 126.7 Ų | 126.7 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.5 | -39.1 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | L305 R311 R312 R313 | L305-V309 WeakPolarHBondContact O-CB 3.18Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.21Å; L305-V309 PolarHBondContact O-N 3.46Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 3.33Å; V309-R312 PolarHBondContact O-N 3.28Å; V309-R313 PolarHBondContact O-N 3.3Å |
| 310 | R | 70.3 | Confident | 78.8 | Confident | 200 Ų | 200 | 130.9 Ų | 130.9 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.2 | -27.9 | 174.8 | -81.2 | -175.4 | 172.5 | 163.2 | -0.7 | 114 | V306 V307 | V306-R310 WeakPolarHBondContact O-CB 3.14Å; V306-R310 WeakPolarHBondContact O-CG 3.17Å; V306-R310 PolarHBondContact O-N 2.99Å; V307-R310 PolarHBondContact O-N 3.14Å |
| 311 | R | 68 | Low | 77.9 | Confident | 215 Ų | 215 | 133.2 Ų | 133.2 | 81% | 0.811 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.9 | -15.1 | 174.8 | -84.7 | -174.9 | 171.4 | 178 | -1.5 | 114.1 | V307 F308 V309 | V307-R311 PolarHBondContact O-N 3.09Å; F308-R311 PolarHBondContact O-N 3.03Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 3.33Å |
| 312 | R | 61.8 | Low | 77 | Confident | 195 Ų | 195 | 135.6 Ų | 135.6 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | trans | -102.2 | -3.6 | -178.2 | -82.4 | -169.5 | 173.2 | -168.5 | -1.1 | 114.6 | F308 V309 | F308-R312 VanDerWaalsContact CZ-NE 3.29Å; F308-R312 PolarHBondContact O-N 2.6Å; V309-R312 PolarHBondContact O-N 3.28Å | ||
| 313 | R | 54.3 | Low | 75.8 | Confident | 275 Ų | 275 | 139.4 Ų | 139.4 | 100% | 1.038 | 61% | 0.612 | S | S | * | * | trans | -101.4 | 0 | 166.9 | -80.6 | -172.3 | 177.9 | -176.4 | 0 | 109.3 | V309 | V309-R313 PolarHBondContact O-N 3.3Š|
Retrieved 313 of 313 residues in 286.2 ms
(Link to these results)