| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29 | Very low | 62.7 | Low | 243 Ų | 243 | 105.6 Ų | 105.6 | 100% | 1.197 | 61% | 0.606 | S | S | * | * | 0 | 136.3 | 0 | -70.2 | 159.4 | 165.5 | 0 | 0 | 107.4 | |||||
| 2 | S | 33.4 | Very low | 62.9 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | trans | -71.8 | 129.3 | 166.3 | 46.4 | 0 | 0 | 0 | 0 | 108.5 | G4 | S2-G4 PolarHBondContact O-N 3.13Š| ||
| 3 | Q | 42.5 | Very low | 62.8 | Low | 204 Ų | 204 | 115.4 Ų | 115.4 | 95% | 0.953 | 62% | 0.623 | S | S | * | * | trans | -62.2 | 107.9 | 166.1 | -75.1 | 170.8 | -37.9 | 0 | 0 | 107.5 | ||||
| 4 | G | 50.7 | Low | 62.5 | Low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | trans | -84.8 | 123.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S2 | S2-G4 PolarHBondContact O-N 3.13Š| ||
| 5 | S | 65.9 | Low | 61.6 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | trans | -72.9 | 152.6 | 163.5 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | G | 75.3 | Confident | 61.1 | Low | 24 Ų | 24 | 126.1 Ų | 126.1 | 25% | 0.247 | 64% | 0.644 | C | S | . | * | trans | 163.9 | 154.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y56 | G6-Y56 CarbonylContact C-O 3.43Å; G6-Y56 VanDerWaalsContact CA-O 3.25Å; G6-Y56 WeakPolarHBondContact CA-O 3.26Å | ||
| 7 | I | 82.3 | Confident | 60.5 | Low | 51 Ų | 51 | 124.6 Ų | 124.6 | 26% | 0.262 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.4 | -179.1 | -60.4 | 164.4 | 0 | 0 | 0 | 108.2 | M24 Y56 E58 | I7-M24 HydrophobicContact CB-CE 3.84Å; I7-M24 HydrophobicContact CD1-CE 3.44Å; I7-M24 VanDerWaalsContact CD1-CE 3.44Å; I7-M24 HydrophobicContact CG1-CE 4.23Å; I7-M24 HydrophobicContact CG2-CE 3.63Å; I7-M24 HydrophobicContact CG2-SD 4.14Å; I7-Y56 PolarHBondContact N-O 2.94Å; I7-Y56 PolarHBondContact O-N 2.96Å; I7-E58 HydrophobicContact CD1-CG 3.88Å; I7-E58 HydrophobicContact CG1-CG 3.77Å |
| 8 | C | 83.4 | Confident | 60.3 | Low | 82 Ų | 82 | 122.1 Ų | 122.1 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.1 | 172 | -69.5 | 0 | 0 | 0 | 0 | 109.3 | V53 S54 | C8-V53 HydrophobicContact CB-CG1 3.78Å; C8-S54 WeakPolarHBondContact CA-O 3.3Å |
| 9 | A | 80.6 | Confident | 60.8 | Low | 29 Ų | 29 | 117.4 Ų | 117.4 | 24% | 0.24 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V53 S54 Y56 | A9-V53 WeakPolarHBondContact O-CG1 2.98Å; A9-S54 PolarHBondContact N-O 2.9Å; A9-S54 WeakPolarHBondContact O-CB 3.35Å; A9-S54 PolarHBondContact O-N 3.06Å; A9-Y56 HydrophobicContact CB-CD2 4.35Å; A9-Y56 HydrophobicContact CB-CE2 3.92Å |
| 10 | Y | 76.5 | Confident | 61.3 | Low | 176 Ų | 176 | 115 Ų | 115 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | trans | -79.5 | 128.1 | 166.7 | -69.4 | -83.4 | 0 | 0 | 0 | 108.6 | V53 | Y10-V53 HydrophobicContact CD1-CG2 4.09Å; Y10-V53 HydrophobicContact CE1-CG2 3.61Å | ||
| 11 | E | 69.8 | Low | 62.1 | Low | 80 Ų | 80 | 111.5 Ų | 111.5 | 37% | 0.374 | 58% | 0.58 | S | S | . | * | trans | -128.9 | 130.1 | -180 | -163.5 | -179.5 | 162.8 | 0 | 0 | 109.2 | R13 Q19 S54 Y56 | E11-R13 PolarHBondContact O-N 3.14Å; E11-Q19 PolarHBondContact OE1-NE2 2.91Å; E11-Q19 PolarHBondContact OE2-NE2 2.93Å; E11-Q19 VanDerWaalsContact OE2-NE2 3.09Å; E11-S54 PolarHBondContact OE2-OG 2.8Å; E11-Y56 PolarHBondContact OE2-OH 2.87Å | ||
| 12 | E | 65.6 | Low | 64.6 | Low | 176 Ų | 176 | 101.3 Ų | 101.3 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | trans | -69.5 | 116 | 174.9 | -172 | 174.7 | -159.5 | 0 | 0 | 108.9 | Q14 | E12-Q14 PolarHBondContact O-N 2.86Š| ||
| 13 | R | 60.6 | Low | 67 | Low | 162 Ų | 162 | 98.8 Ų | 98.8 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | trans | -68.5 | 93 | -167.9 | -161.8 | -170.6 | -144.5 | 170.8 | 17.3 | 111.4 | E11 E15 E52 | E11-R13 PolarHBondContact O-N 3.14Å; R13-E15 PolarHBondContact O-N 3.25Å; R13-E52 IonicContact CZ-OE1 3.76Å; R13-E52 IonicContact CZ-OE2 3.93Å; R13-E52 IonicContact NE-OE2 3.59Å; R13-E52 IonicContact NH1-OE1 2.76Å; R13-E52 IonicContact NH2-OE1 3.16Å; R13-E52 PolarHBondContact NH2-OE1 3.34Å; R13-E52 IonicContact NH2-OE2 3.81Å; R13-E52 PolarHBondContact NH2-OE2 3.44Å | ||
| 14 | Q | 59.6 | Low | 69 | Low | 124 Ų | 124 | 90.5 Ų | 90.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | trans | -73.1 | 100.4 | 171.5 | -65.9 | -161.7 | 9.2 | 0 | 0 | 110.2 | E12 R16 I17 | E12-Q14 PolarHBondContact O-N 2.86Å; Q14-R16 PolarHBondContact O-N 3.26Å; Q14-I17 HydrophobicContact CB-CB 4.38Å; Q14-I17 HydrophobicContact CB-CD1 3.91Å; Q14-I17 HydrophobicContact CB-CG1 4.07Å; Q14-I17 PolarHBondContact O-N 3.27Å; Q14-I17 VanDerWaalsContact O-N 3.14Å | ||
| 15 | E | 48.7 | Very low | 70.5 | Confident | 159 Ų | 159 | 91.3 Ų | 91.3 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 132.6 | 171.7 | -66 | -168 | 163.8 | 0 | 0 | 110.5 | R13 | R13-E15 PolarHBondContact O-N 3.25Š|
| 16 | R | 52.8 | Low | 71.1 | Confident | 235 Ų | 235 | 89.9 Ų | 89.9 | 89% | 0.887 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 0.1 | -178.8 | -44.7 | 153 | -165.6 | -164.5 | 4 | 116.1 | Q14 | Q14-R16 PolarHBondContact O-N 3.26Š|
| 17 | I | 51.8 | Low | 71.1 | Confident | 101 Ų | 101 | 96.6 Ų | 96.6 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | trans | -95.2 | 135.7 | 171.6 | -58 | -167.2 | 0 | 0 | 0 | 111.1 | Q14 | Q14-I17 HydrophobicContact CB-CB 4.38Å; Q14-I17 HydrophobicContact CB-CD1 3.91Å; Q14-I17 HydrophobicContact CB-CG1 4.07Å; Q14-I17 PolarHBondContact O-N 3.27Å; Q14-I17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | L | 56.5 | Low | 70.6 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 41% | 0.414 | 49% | 0.49 | S | S | . | . | trans | -94.8 | 101.7 | -178.3 | -171.6 | 71.2 | 0 | 0 | 0 | 109.3 | L279 | L18-L279 HydrophobicContact CD1-CD1 3.82Å; L18-L279 HydrophobicContact CD1-CG 4.12Å; L18-L279 HydrophobicContact CD2-CD1 3.86Å; L18-L279 HydrophobicContact CD2-CD2 3.89Å; L18-L279 HydrophobicContact CD2-CG 3.89Å; L18-L279 HydrophobicContact CG-CD1 3.97Å; L18-L279 HydrophobicContact CG-CG 4.41Å | ||
| 19 | Q | 70.1 | Confident | 70.1 | Confident | 32 Ų | 32 | 102.2 Ų | 102.2 | 15% | 0.15 | 50% | 0.5 | C | S | . | . | trans | -80.9 | -19.4 | -175 | -72.3 | 160.3 | -24.7 | 0 | 0 | 114.2 | E11 G21 G22 F38 | E11-Q19 PolarHBondContact OE1-NE2 2.91Å; E11-Q19 PolarHBondContact OE2-NE2 2.93Å; E11-Q19 VanDerWaalsContact OE2-NE2 3.09Å; Q19-G21 PolarHBondContact O-N 2.92Å; Q19-G22 VanDerWaalsContact O-CA 3.3Å; Q19-G22 WeakPolarHBondContact O-CA 3.46Å; Q19-G22 PolarHBondContact O-N 2.8Å; Q19-F38 HydrophobicContact CB-CD1 4.16Å; Q19-F38 HydrophobicContact CB-CD2 3.75Å; Q19-F38 HydrophobicContact CB-CE1 3.98Å; Q19-F38 HydrophobicContact CB-CE2 3.54Å; Q19-F38 HydrophobicContact CB-CG 4.04Å; Q19-F38 HydrophobicContact CB-CZ 3.65Å; Q19-F38 HydrophobicContact CG-CE2 4.26Å; Q19-F38 WeakPolarHBondContact O-CB 3.27Å; Q19-F38 WeakPolarHBondContact O-CD1 3.02Å; Q19-F38 VanDerWaalsContact O-CG 3.3Å; Q19-F38 WeakPolarHBondContact O-CG 3.4Å | ||
| 20 | L | 71.5 | Confident | 69.7 | Low | 70 Ų | 70 | 108.7 Ų | 108.7 | 37% | 0.366 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 125.1 | -174.3 | -156.5 | 89.3 | 0 | 0 | 0 | 112.7 | G22 F38 L39 Y271 L279 | L20-G22 PolarHBondContact O-N 2.88Å; L20-F38 HydrophobicContact CD1-CD1 4.19Å; L20-F38 HydrophobicContact CD1-CE1 4.17Å; L20-L39 WeakPolarHBondContact CD1-O 3.45Å; L20-Y271 HydrophobicContact CD2-CD1 4.22Å; L20-Y271 HydrophobicContact CD2-CE1 3.97Å; L20-L279 HydrophobicContact CB-CD1 3.52Å; L20-L279 HydrophobicContact CD2-CD1 3.57Å; L20-L279 HydrophobicContact CG-CD1 4.16Å |
| 21 | G | 76.7 | Confident | 68.7 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q19 F38 | Q19-G21 PolarHBondContact O-N 2.92Å; G21-F38 PolarHBondContact N-O 2.75Å |
| 22 | G | 81.8 | Confident | 68.9 | Low | 29 Ų | 29 | 106.2 Ų | 106.2 | 30% | 0.299 | 54% | 0.537 | S | S | . | . | trans | -61 | 134.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q19 L20 M24 V37 F38 | Q19-G22 VanDerWaalsContact O-CA 3.3Å; Q19-G22 WeakPolarHBondContact O-CA 3.46Å; Q19-G22 PolarHBondContact O-N 2.8Å; L20-G22 PolarHBondContact O-N 2.88Å; G22-M24 PolarHBondContact O-N 3.46Å; G22-V37 WeakPolarHBondContact O-CA 3.41Å; G22-F38 PolarHBondContact O-N 2.94Å | ||
| 23 | A | 84.7 | Confident | 69.3 | Low | 62 Ų | 62 | 100.4 Ų | 100.4 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I25 L34 | A23-I25 HydrophobicContact CB-CD1 4.12Å; A23-I25 HydrophobicContact CB-CG1 4.08Å; A23-I25 PolarHBondContact O-N 2.94Å; A23-L34 HydrophobicContact CB-CD1 3.44Å; A23-L34 VanDerWaalsContact CB-CD1 3.44Å |
| 24 | M | 84.6 | Confident | 70.4 | Confident | 29 Ų | 29 | 96 Ų | 96 | 14% | 0.143 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 107.5 | 167.5 | -175 | 174.2 | 73.2 | 0 | 0 | 109.1 | I7 G22 Y35 G36 Y56 | I7-M24 HydrophobicContact CB-CE 3.84Å; I7-M24 HydrophobicContact CD1-CE 3.44Å; I7-M24 VanDerWaalsContact CD1-CE 3.44Å; I7-M24 HydrophobicContact CG1-CE 4.23Å; I7-M24 HydrophobicContact CG2-CE 3.63Å; I7-M24 HydrophobicContact CG2-SD 4.14Å; G22-M24 PolarHBondContact O-N 3.46Å; M24-Y35 PolarHBondContact O-N 2.78Å; M24-G36 PolarHBondContact N-O 3.4Å; M24-Y56 HydrophobicContact CB-CD1 3.55Å; M24-Y56 HydrophobicContact CB-CE1 3.66Å; M24-Y56 HydrophobicContact CB-CG 4.19Å; M24-Y56 HydrophobicContact CE-CG 4.48Å; M24-Y56 HydrophobicContact CG-CD1 4.43Å; M24-Y56 HydrophobicContact CG-CE1 4.44Å; M24-Y56 HydrophobicContact SD-CD1 4.27Å; M24-Y56 HydrophobicContact SD-CD2 3.98Å; M24-Y56 HydrophobicContact SD-CE2 4.25Å; M24-Y56 HydrophobicContact SD-CG 4Å |
| 25 | I | 81.8 | Confident | 71.5 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.3 | -177.8 | -60.9 | 174.7 | 0 | 0 | 0 | 108.4 | A23 A32 V33 L34 | A23-I25 HydrophobicContact CB-CD1 4.12Å; A23-I25 HydrophobicContact CB-CG1 4.08Å; A23-I25 PolarHBondContact O-N 2.94Å; I25-A32 HydrophobicContact CG2-CB 3.75Å; I25-V33 VanDerWaalsContact CA-O 3.31Å; I25-V33 WeakPolarHBondContact CA-O 3.44Å; I25-L34 HydrophobicContact CG1-CD1 3.89Å |
| 26 | C | 78.2 | Confident | 73.3 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 153.7 | 170.7 | -51.1 | 0 | 0 | 0 | 0 | 109.3 | V33 Y35 | C26-V33 PolarHBondContact N-O 3.35Å; C26-V33 PolarHBondContact O-N 2.77Å; C26-Y35 HydrophobicContact CB-CD2 3.67Å; C26-Y35 HydrophobicContact CB-CE2 3.55Å |
| 27 | F | 74.7 | Confident | 74.9 | Confident | 164 Ų | 164 | 77.5 Ų | 77.5 | 72% | 0.719 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.2 | 176.8 | -70.9 | -89.1 | 0 | 0 | 0 | 110.6 | Q31 A32 | F27-Q31 WeakPolarHBondContact CA-O 3.48Å; F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 3.82Å; F27-A32 HydrophobicContact CZ-CB 4.32Å |
| 28 | D | 72.8 | Confident | 76.5 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.8 | 164.7 | -179.8 | 27.1 | 0 | 0 | 0 | 108.8 | N30 Q31 | D28-N30 VanDerWaalsContact C-N 3.33Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-Q31 PolarHBondContact N-O 2.83Å; D28-Q31 WeakPolarHBondContact O-CB 3.14Å; D28-Q31 PolarHBondContact O-N 2.89Å |
| 29 | K | 71.7 | Confident | 77.7 | Confident | 176 Ų | 176 | 73 Ų | 73 | 77% | 0.765 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 52.7 | 176.5 | -64.7 | 154.6 | -168.3 | 158.8 | 0 | 114 | Q31 | K29-Q31 PolarHBondContact O-N 3.25Š|
| 30 | N | 73.2 | Confident | 78.3 | Confident | 165 Ų | 165 | 78.7 Ų | 78.7 | 88% | 0.882 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 11.9 | -177.2 | -60.7 | -8.1 | 0 | 0 | 0 | 116.2 | D28 | D28-N30 VanDerWaalsContact C-N 3.33Å; D28-N30 PolarHBondContact O-N 3.32Å |
| 31 | Q | 55 | Low | 78.7 | Confident | 139 Ų | 139 | 77.6 Ų | 77.6 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.9 | 171.2 | -59.6 | -170.9 | 19.5 | 0 | 0 | 110.8 | F27 D28 K29 V33 | F27-Q31 WeakPolarHBondContact CA-O 3.48Å; D28-Q31 PolarHBondContact N-O 2.83Å; D28-Q31 WeakPolarHBondContact O-CB 3.14Å; D28-Q31 PolarHBondContact O-N 2.89Å; K29-Q31 PolarHBondContact O-N 3.25Å; Q31-V33 HydrophobicContact CB-CG2 4.45Å; Q31-V33 PolarHBondContact O-N 3.29Å |
| 32 | A | 73.9 | Confident | 78.7 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I25 F27 | I25-A32 HydrophobicContact CG2-CB 3.75Å; F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 3.82Å; F27-A32 HydrophobicContact CZ-CB 4.32Å |
| 33 | V | 75.5 | Confident | 78.1 | Confident | 53 Ų | 53 | 80.8 Ų | 80.8 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.1 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | I25 C26 Q31 Y35 | I25-V33 VanDerWaalsContact CA-O 3.31Å; I25-V33 WeakPolarHBondContact CA-O 3.44Å; C26-V33 PolarHBondContact N-O 3.35Å; C26-V33 PolarHBondContact O-N 2.77Å; Q31-V33 HydrophobicContact CB-CG2 4.45Å; Q31-V33 PolarHBondContact O-N 3.29Å; V33-Y35 HydrophobicContact CB-CD2 4.31Å; V33-Y35 HydrophobicContact CB-CE2 3.68Å; V33-Y35 HydrophobicContact CG1-CD2 4.16Å; V33-Y35 HydrophobicContact CG1-CE2 3.68Å; V33-Y35 VanDerWaalsContact O-CD2 3.25Å; V33-Y35 WeakPolarHBondContact O-CD2 2.94Å |
| 34 | L | 83.8 | Confident | 77 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 37% | 0.366 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.2 | 176 | -173.6 | 73.8 | 0 | 0 | 0 | 109.6 | A23 I25 T59 | A23-L34 HydrophobicContact CB-CD1 3.44Å; A23-L34 VanDerWaalsContact CB-CD1 3.44Å; I25-L34 HydrophobicContact CG1-CD1 3.89Å; L34-T59 HydrophobicContact CB-CG2 4.12Å; L34-T59 HydrophobicContact CD2-CG2 3.66Å; L34-T59 HydrophobicContact CG-CG2 3.54Å; L34-T59 WeakPolarHBondContact O-CB 3.35Å; L34-T59 VanDerWaalsContact O-CG2 3.24Å; L34-T59 WeakPolarHBondContact O-CG2 3.06Å; L34-T59 PolarHBondContact O-OG1 3.38Å |
| 35 | Y | 82.3 | Confident | 75.6 | Confident | 90 Ų | 90 | 88.1 Ų | 88.1 | 35% | 0.353 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -26.8 | -179.7 | -78 | -91.9 | 0 | 0 | 0 | 113.5 | M24 C26 V33 T59 | M24-Y35 PolarHBondContact O-N 2.78Å; C26-Y35 HydrophobicContact CB-CD2 3.67Å; C26-Y35 HydrophobicContact CB-CE2 3.55Å; V33-Y35 HydrophobicContact CB-CD2 4.31Å; V33-Y35 HydrophobicContact CB-CE2 3.68Å; V33-Y35 HydrophobicContact CG1-CD2 4.16Å; V33-Y35 HydrophobicContact CG1-CE2 3.68Å; V33-Y35 VanDerWaalsContact O-CD2 3.25Å; V33-Y35 WeakPolarHBondContact O-CD2 2.94Å; Y35-T59 WeakPolarHBondContact CA-OG1 3.23Å; Y35-T59 PolarHBondContact O-N 2.81Å; Y35-T59 PolarHBondContact O-OG1 3.19Å |
| 36 | G | 85.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 175.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M24 E57 | M24-G36 PolarHBondContact N-O 3.4Å; G36-E57 CarbonylContact C-O 3.12Å; G36-E57 WeakPolarHBondContact CA-O 3.35Å |
| 37 | V | 86.5 | Confident | 72.5 | Confident | 39 Ų | 39 | 98 Ų | 98 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 109 | G22 L39 Y56 E57 I62 | G22-V37 WeakPolarHBondContact O-CA 3.41Å; V37-L39 PolarHBondContact O-N 3.27Å; V37-Y56 CarbonylContact O-C 3.53Å; V37-Y56 VanDerWaalsContact O-CA 3.32Å; V37-Y56 WeakPolarHBondContact O-CA 3.4Å; V37-E57 PolarHBondContact N-O 3.42Å; V37-E57 PolarHBondContact O-N 2.87Å; V37-I62 HydrophobicContact CB-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 3.65Å |
| 38 | F | 86.1 | Confident | 71 | Confident | 14 Ų | 14 | 99.7 Ų | 99.7 | 6% | 0.061 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 131.2 | -175.3 | -179.5 | -73.6 | 0 | 0 | 0 | 111.3 | Q19 L20 G21 G22 N41 Y56 | Q19-F38 HydrophobicContact CB-CD1 4.16Å; Q19-F38 HydrophobicContact CB-CD2 3.75Å; Q19-F38 HydrophobicContact CB-CE1 3.98Å; Q19-F38 HydrophobicContact CB-CE2 3.54Å; Q19-F38 HydrophobicContact CB-CG 4.04Å; Q19-F38 HydrophobicContact CB-CZ 3.65Å; Q19-F38 HydrophobicContact CG-CE2 4.26Å; Q19-F38 WeakPolarHBondContact O-CB 3.27Å; Q19-F38 WeakPolarHBondContact O-CD1 3.02Å; Q19-F38 VanDerWaalsContact O-CG 3.3Å; Q19-F38 WeakPolarHBondContact O-CG 3.4Å; L20-F38 HydrophobicContact CD1-CD1 4.19Å; L20-F38 HydrophobicContact CD1-CE1 4.17Å; G21-F38 PolarHBondContact N-O 2.75Å; G22-F38 PolarHBondContact O-N 2.94Å; F38-N41 VanDerWaalsContact CE2-OD1 3.27Å; F38-N41 WeakPolarHBondContact CE2-OD1 3.2Å; F38-N41 WeakPolarHBondContact CZ-OD1 3.41Å; F38-Y56 VanDerWaalsContact CA-CD1 3.43Å; F38-Y56 HydrophobicContact CB-CD1 3.8Å; F38-Y56 HydrophobicContact CB-CE1 3.56Å; F38-Y56 HydrophobicContact CD2-CE1 4.07Å; F38-Y56 HydrophobicContact CD2-CE2 4.28Å; F38-Y56 AromaticContact CD2-CZ 3.82Å; F38-Y56 HydrophobicContact CG-CE1 4.31Å |
| 39 | L | 82.3 | Confident | 69.8 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -48.5 | 177.5 | -67.5 | -177.1 | 0 | 0 | 0 | 113.6 | L20 V37 L55 E57 | L20-L39 WeakPolarHBondContact CD1-O 3.45Å; V37-L39 PolarHBondContact O-N 3.27Å; L39-L55 HydrophobicContact CD1-CD2 4.03Å; L39-L55 HydrophobicContact CD1-CG 4.42Å; L39-L55 PolarHBondContact N-O 2.87Å; L39-E57 HydrophobicContact CD1-CB 3.81Å; L39-E57 HydrophobicContact CD1-CG 4.3Å; L39-E57 HydrophobicContact CD2-CB 4.11Å; L39-E57 HydrophobicContact CG-CB 3.94Å |
| 40 | R | 82.8 | Confident | 68.9 | Low | 152 Ų | 152 | 100.8 Ų | 100.8 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 164.3 | -176.1 | 59.8 | 179 | -177.4 | -175.6 | 2 | 110.9 | I42 L55 | R40-I42 HydrophobicContact CG-CG1 4.39Å; R40-L55 PolarHBondContact N-O 2.92Å; R40-L55 WeakPolarHBondContact O-CB 3.28Å; R40-L55 PolarHBondContact O-N 3.4Å |
| 41 | N | 79.5 | Confident | 68.2 | Low | 47 Ų | 47 | 94.9 Ų | 94.9 | 25% | 0.251 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 152.1 | 161.8 | -65.5 | -1.7 | 0 | 0 | 0 | 110.8 | F38 E52 V53 S54 | F38-N41 VanDerWaalsContact CE2-OD1 3.27Å; F38-N41 WeakPolarHBondContact CE2-OD1 3.2Å; F38-N41 WeakPolarHBondContact CZ-OD1 3.41Å; N41-E52 HydrophobicContact CB-CB 4.33Å; N41-E52 HydrophobicContact CB-CG 4.45Å; N41-E52 WeakPolarHBondContact CB-OE2 3.48Å; N41-E52 PolarHBondContact ND2-OE2 3.11Å; N41-V53 CarbonylContact C-O 3.56Å; N41-V53 WeakPolarHBondContact CA-O 3.46Å; N41-S54 PolarHBondContact OD1-OG 3.3Å |
| 42 | I | 76 | Confident | 68.8 | Low | 59 Ų | 59 | 91.9 Ų | 91.9 | 30% | 0.303 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.8 | 174.6 | -57 | -179 | 0 | 0 | 0 | 107.4 | R40 V53 L55 | R40-I42 HydrophobicContact CG-CG1 4.39Å; I42-V53 PolarHBondContact N-O 2.77Å; I42-V53 PolarHBondContact O-N 2.98Å; I42-L55 HydrophobicContact CD1-CB 3.77Å; I42-L55 HydrophobicContact CD1-CD1 4.41Å; I42-L55 HydrophobicContact CD1-CD2 3.9Å; I42-L55 HydrophobicContact CD1-CG 4.21Å; I42-L55 HydrophobicContact CG1-CB 4.17Å |
| 43 | S | 69.9 | Low | 69 | Low | 80 Ų | 80 | 89.2 Ų | 89.2 | 56% | 0.559 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.7 | 172.5 | -48.1 | 0 | 0 | 0 | 0 | 109.9 | L45 | S43-L45 PolarHBondContact O-N 3.07Å |
| 44 | L | 61.5 | Low | 69.3 | Low | 77 Ų | 77 | 86.9 Ų | 86.9 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108 | 168.1 | -72.8 | 178.1 | 0 | 0 | 0 | 109.2 | E46 S51 V53 | L44-E46 PolarHBondContact O-N 3.21Å; L44-S51 PolarHBondContact N-O 3.03Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å; L44-V53 HydrophobicContact CG-CG2 3.88Å |
| 45 | L | 54.2 | Low | 69.4 | Low | 168 Ų | 168 | 84.9 Ų | 84.9 | 88% | 0.88 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 6.8 | -175.6 | -130.5 | 120.9 | 0 | 0 | 0 | 114 | S43 | S43-L45 PolarHBondContact O-N 3.07Š|
| 46 | E | 50.9 | Low | 69.6 | Low | 168 Ų | 168 | 81.6 Ų | 81.6 | 79% | 0.785 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -9.4 | -161.3 | -152.7 | 161.1 | -144 | 0 | 0 | 114 | L44 | L44-E46 PolarHBondContact O-N 3.21Š|
| 47 | Y | 44.3 | Very low | 69.5 | Low | 186 Ų | 186 | 85.5 Ų | 85.5 | 73% | 0.729 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -129.4 | 148.9 | 170.6 | -72.9 | -92.9 | 0 | 0 | 0 | 109.2 | S49 | Y47-S49 PolarHBondContact O-N 2.96Š|
| 48 | L | 43.7 | Very low | 69.3 | Low | 199 Ų | 199 | 86.5 Ų | 86.5 | 100% | 1.042 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -69.6 | 24.1 | -172.7 | -70.3 | 162.1 | 0 | 0 | 0 | 115 | ||
| 49 | S | 47.6 | Very low | 68.8 | Low | 68 Ų | 68 | 86.6 Ų | 86.6 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -129.7 | 127 | 178.2 | 53.6 | 0 | 0 | 0 | 0 | 108.3 | Y47 S51 | Y47-S49 PolarHBondContact O-N 2.96Å; S49-S51 PolarHBondContact O-N 3.45Å; S49-S51 PolarHBondContact O-OG 2.01Å |
| 50 | E | 52.2 | Low | 68.1 | Low | 205 Ų | 205 | 86.1 Ų | 86.1 | 96% | 0.958 | 44% | 0.437 | S | S | * | . | trans | -68.4 | 72.4 | -178.7 | -66.3 | -172.8 | 147.5 | 0 | 0 | 112.6 | E52 | E50-E52 PolarHBondContact O-N 3.28Š| ||
| 51 | S | 58 | Low | 67.1 | Low | 41 Ų | 41 | 81.4 Ų | 81.4 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 98.2 | 179 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | L44 S49 | L44-S51 PolarHBondContact N-O 3.03Å; S49-S51 PolarHBondContact O-N 3.45Å; S49-S51 PolarHBondContact O-OG 2.01Å |
| 52 | E | 69 | Low | 66.3 | Low | 77 Ų | 77 | 81.9 Ų | 81.9 | 36% | 0.36 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.4 | 163 | -77.2 | -173.3 | -155.4 | 0 | 0 | 109.7 | R13 N41 E50 | R13-E52 IonicContact CZ-OE1 3.76Å; R13-E52 IonicContact CZ-OE2 3.93Å; R13-E52 IonicContact NE-OE2 3.59Å; R13-E52 IonicContact NH1-OE1 2.76Å; R13-E52 IonicContact NH2-OE1 3.16Å; R13-E52 PolarHBondContact NH2-OE1 3.34Å; R13-E52 IonicContact NH2-OE2 3.81Å; R13-E52 PolarHBondContact NH2-OE2 3.44Å; N41-E52 HydrophobicContact CB-CB 4.33Å; N41-E52 HydrophobicContact CB-CG 4.45Å; N41-E52 WeakPolarHBondContact CB-OE2 3.48Å; N41-E52 PolarHBondContact ND2-OE2 3.11Å; E50-E52 PolarHBondContact O-N 3.28Å |
| 53 | V | 77.5 | Confident | 65.5 | Low | 9 Ų | 9 | 84.7 Ų | 84.7 | 6% | 0.055 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.5 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | C8 A9 Y10 N41 I42 L44 | C8-V53 HydrophobicContact CB-CG1 3.78Å; A9-V53 WeakPolarHBondContact O-CG1 2.98Å; Y10-V53 HydrophobicContact CD1-CG2 4.09Å; Y10-V53 HydrophobicContact CE1-CG2 3.61Å; N41-V53 CarbonylContact C-O 3.56Å; N41-V53 WeakPolarHBondContact CA-O 3.46Å; I42-V53 PolarHBondContact N-O 2.77Å; I42-V53 PolarHBondContact O-N 2.98Å; L44-V53 HydrophobicContact CD1-CG2 3.55Å; L44-V53 HydrophobicContact CG-CG2 3.88Å |
| 54 | S | 82.6 | Confident | 65.1 | Low | 4 Ų | 4 | 86 Ų | 86 | 3% | 0.028 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.2 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | C8 A9 E11 N41 | C8-S54 WeakPolarHBondContact CA-O 3.3Å; A9-S54 PolarHBondContact N-O 2.9Å; A9-S54 WeakPolarHBondContact O-CB 3.35Å; A9-S54 PolarHBondContact O-N 3.06Å; E11-S54 PolarHBondContact OE2-OG 2.8Å; N41-S54 PolarHBondContact OD1-OG 3.3Å |
| 55 | L | 85.2 | Confident | 64.9 | Low | 28 Ų | 28 | 84.7 Ų | 84.7 | 15% | 0.147 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130 | 173.1 | 179.2 | 72.2 | 0 | 0 | 0 | 110.4 | L39 R40 I42 | L39-L55 HydrophobicContact CD1-CD2 4.03Å; L39-L55 HydrophobicContact CD1-CG 4.42Å; L39-L55 PolarHBondContact N-O 2.87Å; R40-L55 PolarHBondContact N-O 2.92Å; R40-L55 WeakPolarHBondContact O-CB 3.28Å; R40-L55 PolarHBondContact O-N 3.4Å; I42-L55 HydrophobicContact CD1-CB 3.77Å; I42-L55 HydrophobicContact CD1-CD1 4.41Å; I42-L55 HydrophobicContact CD1-CD2 3.9Å; I42-L55 HydrophobicContact CD1-CG 4.21Å; I42-L55 HydrophobicContact CG1-CB 4.17Å |
| 56 | Y | 86.6 | Confident | 65.1 | Low | 21 Ų | 21 | 81.6 Ų | 81.6 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.4 | 174.4 | -62.9 | -101.5 | 0 | 0 | 0 | 110.7 | G6 I7 A9 E11 M24 V37 F38 | G6-Y56 CarbonylContact C-O 3.43Å; G6-Y56 VanDerWaalsContact CA-O 3.25Å; G6-Y56 WeakPolarHBondContact CA-O 3.26Å; I7-Y56 PolarHBondContact N-O 2.94Å; I7-Y56 PolarHBondContact O-N 2.96Å; A9-Y56 HydrophobicContact CB-CD2 4.35Å; A9-Y56 HydrophobicContact CB-CE2 3.92Å; E11-Y56 PolarHBondContact OE2-OH 2.87Å; M24-Y56 HydrophobicContact CB-CD1 3.55Å; M24-Y56 HydrophobicContact CB-CE1 3.66Å; M24-Y56 HydrophobicContact CB-CG 4.19Å; M24-Y56 HydrophobicContact CE-CG 4.48Å; M24-Y56 HydrophobicContact CG-CD1 4.43Å; M24-Y56 HydrophobicContact CG-CE1 4.44Å; M24-Y56 HydrophobicContact SD-CD1 4.27Å; M24-Y56 HydrophobicContact SD-CD2 3.98Å; M24-Y56 HydrophobicContact SD-CE2 4.25Å; M24-Y56 HydrophobicContact SD-CG 4Å; V37-Y56 CarbonylContact O-C 3.53Å; V37-Y56 VanDerWaalsContact O-CA 3.32Å; V37-Y56 WeakPolarHBondContact O-CA 3.4Å; F38-Y56 VanDerWaalsContact CA-CD1 3.43Å; F38-Y56 HydrophobicContact CB-CD1 3.8Å; F38-Y56 HydrophobicContact CB-CE1 3.56Å; F38-Y56 HydrophobicContact CD2-CE1 4.07Å; F38-Y56 HydrophobicContact CD2-CE2 4.28Å; F38-Y56 AromaticContact CD2-CZ 3.82Å; F38-Y56 HydrophobicContact CG-CE1 4.31Å |
| 57 | E | 83.6 | Confident | 65.2 | Low | 82 Ų | 82 | 77 Ų | 77 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 131 | 169.1 | -153.8 | 167.4 | 161.7 | 0 | 0 | 109.5 | G36 V37 L39 | G36-E57 CarbonylContact C-O 3.12Å; G36-E57 WeakPolarHBondContact CA-O 3.35Å; V37-E57 PolarHBondContact N-O 3.42Å; V37-E57 PolarHBondContact O-N 2.87Å; L39-E57 HydrophobicContact CD1-CB 3.81Å; L39-E57 HydrophobicContact CD1-CG 4.3Å; L39-E57 HydrophobicContact CD2-CB 4.11Å; L39-E57 HydrophobicContact CG-CB 3.94Å |
| 58 | E | 81.4 | Confident | 65.6 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 138.9 | -177 | -75.8 | 176.2 | -168.9 | 0 | 0 | 112.8 | I7 A60 T61 | I7-E58 HydrophobicContact CD1-CG 3.88Å; I7-E58 HydrophobicContact CG1-CG 3.77Å; E58-A60 HydrophobicContact CB-CB 4.35Å; E58-A60 PolarHBondContact O-N 3.25Å; E58-T61 WeakPolarHBondContact O-CB 3.43Å; E58-T61 PolarHBondContact O-N 3.21Å; E58-T61 PolarHBondContact O-OG1 2.99Å |
| 59 | T | 75.5 | Confident | 66.1 | Low | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.3 | -14.2 | 170.5 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | L34 Y35 T61 I62 H63 | L34-T59 HydrophobicContact CB-CG2 4.12Å; L34-T59 HydrophobicContact CD2-CG2 3.66Å; L34-T59 HydrophobicContact CG-CG2 3.54Å; L34-T59 WeakPolarHBondContact O-CB 3.35Å; L34-T59 VanDerWaalsContact O-CG2 3.24Å; L34-T59 WeakPolarHBondContact O-CG2 3.06Å; L34-T59 PolarHBondContact O-OG1 3.38Å; Y35-T59 WeakPolarHBondContact CA-OG1 3.23Å; Y35-T59 PolarHBondContact O-N 2.81Å; Y35-T59 PolarHBondContact O-OG1 3.19Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.43Å; T59-I62 HydrophobicContact CG2-CD1 4.25Å; T59-I62 CarbonylContact O-C 3.51Å; T59-I62 PolarHBondContact O-N 3.18Å; T59-H63 WeakPolarHBondContact O-CB 3.21Å; T59-H63 PolarHBondContact O-CD2 2.78Å; T59-H63 VanDerWaalsContact O-CD2 3.22Å; T59-H63 PolarHBondContact O-N 2.83Å |
| 60 | A | 68.7 | Low | 65.9 | Low | 60 Ų | 60 | 75.2 Ų | 75.2 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | E58 I62 H63 E64 | E58-A60 HydrophobicContact CB-CB 4.35Å; E58-A60 PolarHBondContact O-N 3.25Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 2.87Å; A60-H63 PolarHBondContact O-N 2.97Å; A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.38Å |
| 61 | T | 61.2 | Low | 65.6 | Low | 53 Ų | 53 | 71.3 Ų | 71.3 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 174.3 | -42.4 | 0 | 0 | 0 | 0 | 111.7 | E58 T59 A65 | E58-T61 WeakPolarHBondContact O-CB 3.43Å; E58-T61 PolarHBondContact O-N 3.21Å; E58-T61 PolarHBondContact O-OG1 2.99Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 3.43Å; T61-A65 WeakPolarHBondContact O-CB 3.36Å; T61-A65 PolarHBondContact O-N 3.5Å |
| 62 | I | 62.3 | Low | 64.7 | Low | 58 Ų | 58 | 74.9 Ų | 74.9 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | 178 | -54.8 | 179.9 | 0 | 0 | 0 | 111.1 | V37 T59 A60 A65 L66 | V37-I62 HydrophobicContact CB-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 3.65Å; T59-I62 HydrophobicContact CG2-CD1 4.25Å; T59-I62 CarbonylContact O-C 3.51Å; T59-I62 PolarHBondContact O-N 3.18Å; A60-I62 VanDerWaalsContact C-N 3.31Å; A60-I62 PolarHBondContact O-N 2.87Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å; I62-L66 HydrophobicContact CG2-CD1 3.88Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 2.88Å |
| 63 | H | 60.3 | Low | 63.1 | Low | 117 Ų | 117 | 76.6 Ų | 76.6 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.3 | -32.7 | 176.2 | -83.8 | -68.3 | 0 | 0 | 0 | 112.1 | T59 A60 A65 L66 S67 | T59-H63 WeakPolarHBondContact O-CB 3.21Å; T59-H63 PolarHBondContact O-CD2 2.78Å; T59-H63 VanDerWaalsContact O-CD2 3.22Å; T59-H63 PolarHBondContact O-N 2.83Å; A60-H63 PolarHBondContact O-N 2.97Å; H63-A65 VanDerWaalsContact C-N 3.35Å; H63-L66 PolarHBondContact O-N 3.12Å; H63-S67 WeakPolarHBondContact O-CB 3.47Å; H63-S67 PolarHBondContact O-N 2.98Å; H63-S67 PolarHBondContact O-OG 3.31Å |
| 64 | E | 60.8 | Low | 61.2 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 169.5 | -165.2 | -169.5 | 161.7 | 0 | 0 | 110.4 | A60 S67 K68 | A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.38Å; E64-S67 PolarHBondContact O-OG 3.5Å; E64-K68 VanDerWaalsContact O-CD 3.32Å; E64-K68 WeakPolarHBondContact O-CD 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.76Å; E64-K68 PolarHBondContact OE1-NZ 3.13Å |
| 65 | A | 57.6 | Low | 58.9 | Low | 51 Ų | 51 | 85.3 Ų | 85.3 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T61 I62 H63 V69 | T61-A65 WeakPolarHBondContact O-CB 3.36Å; T61-A65 PolarHBondContact O-N 3.5Å; I62-A65 WeakPolarHBondContact O-CB 3.1Å; I62-A65 PolarHBondContact O-N 3.19Å; H63-A65 VanDerWaalsContact C-N 3.35Å; A65-V69 WeakPolarHBondContact O-CG2 3.48Å |
| 66 | L | 58.2 | Low | 56.4 | Low | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78 | -33.9 | -178 | -70.9 | 173.3 | 0 | 0 | 0 | 113.8 | I62 H63 K68 V69 | I62-L66 HydrophobicContact CG2-CD1 3.88Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.25Å; I62-L66 PolarHBondContact O-N 2.88Å; H63-L66 PolarHBondContact O-N 3.12Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.31Å; L66-V69 WeakPolarHBondContact O-CA 3.31Å; L66-V69 WeakPolarHBondContact O-CB 3.34Å; L66-V69 PolarHBondContact O-N 2.87Å |
| 67 | S | 52.1 | Low | 53.9 | Low | 71 Ų | 71 | 98.8 Ų | 98.8 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 178.1 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | H63 E64 V69 R70 | H63-S67 WeakPolarHBondContact O-CB 3.47Å; H63-S67 PolarHBondContact O-N 2.98Å; H63-S67 PolarHBondContact O-OG 3.31Å; E64-S67 PolarHBondContact O-OG 3.5Å; S67-V69 PolarHBondContact O-N 2.56Å; S67-R70 PolarHBondContact O-N 3.34Å |
| 68 | K | 52.8 | Low | 51.5 | Low | 120 Ų | 120 | 101.7 Ų | 101.7 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -12.4 | 169.1 | -68.1 | 170.3 | -172.7 | 171.6 | 0 | 113.5 | E64 L66 F423 | E64-K68 VanDerWaalsContact O-CD 3.32Å; E64-K68 WeakPolarHBondContact O-CD 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.25Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 2.78Å; E64-K68 WeakPolarHBondContact OE1-CE 3.5Å; E64-K68 IonicContact OE1-NZ 2.76Å; E64-K68 PolarHBondContact OE1-NZ 3.13Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.31Å; K68-F423 HydrophobicContact CB-CE1 3.9Å; K68-F423 HydrophobicContact CD-CE1 4.49Å |
| 69 | V | 54.9 | Low | 49.3 | Very low | 68 Ų | 68 | 110.6 Ų | 110.6 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 7.1 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | A65 L66 S67 T71 F423 | A65-V69 WeakPolarHBondContact O-CG2 3.48Å; L66-V69 WeakPolarHBondContact O-CA 3.31Å; L66-V69 WeakPolarHBondContact O-CB 3.34Å; L66-V69 PolarHBondContact O-N 2.87Å; S67-V69 PolarHBondContact O-N 2.56Å; V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.94Å; V69-F423 HydrophobicContact CG2-CZ 3.94Å |
| 70 | R | 43.7 | Very low | 47.4 | Very low | 228 Ų | 228 | 117.3 Ų | 117.3 | 86% | 0.86 | 63% | 0.626 | S | S | * | * | trans | -64.7 | 90.5 | 170.7 | -90.1 | -173.8 | 168.5 | 165.8 | -1.6 | 111.9 | S67 | S67-R70 PolarHBondContact O-N 3.34Š| ||
| 71 | T | 45.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | trans | -59.1 | 137.5 | 155.5 | 37.2 | 0 | 0 | 0 | 0 | 109.3 | V69 S73 | V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.94Å; T71-S73 PolarHBondContact O-N 2.83Å | ||
| 72 | P | 40.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | -63.1 | 132.4 | 169.4 | 26.9 | -32 | 0 | 0 | 0 | 108.3 | S74 | P72-S74 VanDerWaalsContact C-N 3.33Å; P72-S74 PolarHBondContact O-N 3.4Å | ||
| 73 | S | 35.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -62.3 | 91.8 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | T71 S75 | T71-S73 PolarHBondContact O-N 2.83Å; S73-S75 PolarHBondContact O-N 2.76Å | ||
| 74 | S | 36.7 | Very low | 42.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -70.8 | 83.3 | 159 | 50 | 0 | 0 | 0 | 0 | 107.2 | P72 I76 | P72-S74 VanDerWaalsContact C-N 3.33Å; P72-S74 PolarHBondContact O-N 3.4Å; S74-I76 PolarHBondContact O-N 2.98Å | ||
| 75 | S | 33.6 | Very low | 42 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | trans | -37.3 | 108.1 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | S73 K77 | S73-S75 PolarHBondContact O-N 2.76Å; S75-K77 PolarHBondContact O-N 3.39Å | ||
| 76 | I | 33.6 | Very low | 41.3 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 89.7 | 166.6 | -62 | 177.5 | 0 | 0 | 0 | 105.1 | S74 L78 | S74-I76 PolarHBondContact O-N 2.98Å; I76-L78 HydrophobicContact CG2-CD1 4.43Å; I76-L78 PolarHBondContact O-N 3.04Å | ||
| 77 | K | 35 | Very low | 40.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -61.2 | 94.6 | 162.1 | -74.6 | -173.6 | 176.5 | -179 | 0 | 106.2 | S75 R79 | S75-K77 PolarHBondContact O-N 3.39Å; K77-R79 PolarHBondContact O-N 2.94Å | ||
| 78 | L | 32.9 | Very low | 39.9 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -50.3 | 116.4 | 158.7 | -89 | 90.6 | 0 | 0 | 0 | 106.1 | I76 L80 | I76-L78 HydrophobicContact CG2-CD1 4.43Å; I76-L78 PolarHBondContact O-N 3.04Å; L78-L80 PolarHBondContact O-N 3.29Å | ||
| 79 | R | 33.9 | Very low | 39.6 | Very low | 247 Ų | 247 | 144.3 Ų | 144.3 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -68.3 | 82.1 | 168.6 | -84.6 | -177.6 | 167.3 | 175.1 | -4.2 | 107.8 | K77 R81 | K77-R79 PolarHBondContact O-N 2.94Å; R79-R81 PolarHBondContact O-N 2.77Å | ||
| 80 | L | 35.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 126.6 | 156.2 | -78.3 | 157.6 | 0 | 0 | 0 | 106.9 | L78 | L78-L80 PolarHBondContact O-N 3.29Š|
| 81 | R | 37.6 | Very low | 39.2 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 138.3 | 176.8 | -90 | 176.5 | 164.1 | 173.7 | -6.2 | 109.2 | R79 T83 | R79-R81 PolarHBondContact O-N 2.77Å; R81-T83 PolarHBondContact O-N 3.31Å; R81-T83 VanDerWaalsContact O-N 3.11Å |
| 82 | P | 38.2 | Very low | 39.3 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 117.5 | 171.9 | -18.6 | 31.1 | 0 | 0 | 0 | 109.6 | Q84 | P82-Q84 PolarHBondContact O-N 2.99Š|
| 83 | T | 36.6 | Very low | 39.7 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -64.1 | 111.4 | 165.5 | -16.2 | 0 | 0 | 0 | 0 | 107.5 | R81 S85 | R81-T83 PolarHBondContact O-N 3.31Å; R81-T83 VanDerWaalsContact O-N 3.11Å; T83-S85 PolarHBondContact O-N 2.89Å | ||
| 84 | Q | 44.1 | Very low | 40.2 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -76 | 108.3 | 169.4 | -80.4 | -177.1 | -24.9 | 0 | 0 | 108.9 | P82 | P82-Q84 PolarHBondContact O-N 2.99Š| ||
| 85 | S | 43.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 121.9 | 163.6 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | T83 | T83-S85 PolarHBondContact O-N 2.89Š| ||
| 86 | T | 43.3 | Very low | 41.3 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -49.6 | 165.5 | 165.8 | 7.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 87 | P | 40.4 | Very low | 42.1 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -150.2 | -174.8 | 54.2 | 41 | -19.3 | 0 | 0 | 0 | 118.7 | |||||
| 88 | S | 41.6 | Very low | 42.7 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 77.9 | 138.1 | 169.2 | 74.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 89 | L | 45.3 | Very low | 43.5 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | -163.2 | 175.9 | -15.4 | -124.3 | 147.9 | 0 | 0 | 0 | 108.8 | ||||
| 90 | S | 43.9 | Very low | 44.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 66.4 | 108 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 91 | E | 46.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 138 Ų | 138 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | 84.3 | 133.7 | 91.7 | -76.7 | 173 | 134.2 | 0 | 0 | 112.8 | |||||
| 92 | S | 47.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -160.2 | 129.3 | 6.3 | 53 | 0 | 0 | 0 | 0 | 114 | ||||
| 93 | R | 49.7 | Very low | 45.9 | Very low | 249 Ų | 249 | 133.5 Ų | 133.5 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | trans | 53.4 | 161 | 144.4 | -80.7 | -161.6 | 168.5 | 175 | -1.6 | 123.5 | ||||
| 94 | P | 46.3 | Very low | 46.5 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -125 | -177.4 | -149.9 | 44.4 | -30.3 | 0 | 0 | 0 | 114.9 | ||||
| 95 | D | 46.8 | Very low | 46.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | 177.5 | 151.2 | 120.7 | -96.2 | -32.2 | 0 | 0 | 0 | 114.6 | |||||
| 96 | A | 46 | Very low | 47 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 61.9 | 162.2 | 152 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 97 | K | 49.2 | Very low | 47.2 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | cis | -177 | 146.2 | -38 | -156.9 | 176.1 | -169 | 176.1 | 0 | 107.6 | ||||
| 98 | S | 48.2 | Very low | 47.5 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 66.5 | 161.3 | 162.1 | 7.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 99 | S | 49.3 | Very low | 47.7 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -178.7 | 178.2 | -22.3 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | S | 49 | Very low | 47.7 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 68.1 | 155 | 164 | 73.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 101 | S | 48.9 | Very low | 47.7 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -168.3 | 177.5 | -22.1 | 50.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 102 | S | 50 | Low | 47.6 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 56% | 0.559 | 75% | 0.748 | S | S | * | * | cis | -162.8 | 145.1 | 31.6 | -52.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | E | 49 | Very low | 47.4 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | 79.5 | 145.2 | 107.2 | -71.3 | 170 | 176.4 | 0 | 0 | 116.4 | |||||
| 104 | S | 48.9 | Very low | 47.3 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | -170.2 | 161.8 | -10.3 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 105 | S | 47.8 | Very low | 47.2 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 59.8 | 153.1 | 146.8 | 54.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 106 | S | 49.3 | Very low | 47.2 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | 179.3 | 163.9 | -11.5 | 51.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 107 | S | 48.2 | Very low | 47.4 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -175.2 | 156.8 | -16.2 | 46.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 108 | S | 46.5 | Very low | 47 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 56.4 | 153.3 | 149.2 | 58.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 109 | S | 46.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | 175.6 | 161.4 | -33.7 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 110 | S | 44.3 | Very low | 46.6 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 74.7 | 108.5 | 159.6 | -50.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 111 | Q | 44.7 | Very low | 46.4 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | 82.3 | 112.2 | 76.4 | -82.1 | -175 | -18.5 | 0 | 0 | 114.8 | |||||
| 112 | N | 44.7 | Very low | 46.3 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | -176.3 | 150.3 | 110.8 | -92.1 | -21.2 | 0 | 0 | 0 | 113 | |||||
| 113 | E | 41.8 | Very low | 46.2 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 162.7 | 174.3 | -66.2 | 170.5 | 91.2 | 0 | 0 | 112.9 | ||||
| 114 | V | 49.1 | Very low | 46.1 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | -178.4 | 140.9 | 122.7 | 152.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 115 | I | 43.1 | Very low | 45.9 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -139.4 | 161.5 | -176.7 | -59.3 | 176.2 | 0 | 0 | 0 | 106.1 | ||||
| 116 | P | 48 | Very low | 46.1 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -128.3 | -178.1 | -36.5 | 38.5 | -23.5 | 0 | 0 | 0 | 113.2 | ||||
| 117 | K | 48.2 | Very low | 46.1 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | -170.3 | 134.5 | 127.1 | -111.5 | 168.1 | -177.7 | 172.5 | 0 | 116.8 | |||||
| 118 | R | 42 | Very low | 45.7 | Very low | 227 Ų | 227 | 148.2 Ų | 148.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -16.7 | 154.2 | 141.9 | -115.7 | -171.2 | 178.9 | 169 | -1.4 | 115.9 | ||||
| 119 | T | 40 | Very low | 45.8 | Very low | 107 Ų | 107 | 149 Ų | 149 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | cis | -166.5 | 152.2 | 9.2 | -27.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 120 | T | 48.5 | Very low | 45.6 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | 172.8 | 146.4 | 128.7 | 28.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 121 | A | 45.8 | Very low | 45.3 | Very low | 89 Ų | 89 | 157.5 Ų | 157.5 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | -118.1 | -179.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 122 | P | 46.4 | Very low | 45.1 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | cis | -144.3 | -169.4 | 11.5 | 39.7 | -17.4 | 0 | 0 | 0 | 116.5 | ||||
| 123 | A | 48.5 | Very low | 44.6 | Very low | 90 Ų | 90 | 157.2 Ų | 157.2 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | 114.6 | 122.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 124 | K | 45.3 | Very low | 44.6 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 73.2 | 127.1 | 150.3 | -87.1 | 178.1 | 175.7 | 173.1 | 0 | 121.3 | ||||
| 125 | P | 45.4 | Very low | 43.8 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -99.6 | 154.5 | 178.5 | 38.8 | -34.4 | 0 | 0 | 0 | 114 | ||||
| 126 | P | 52.2 | Low | 43.7 | Very low | 126 Ų | 126 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -96.3 | 129.7 | 167.6 | 34 | -29.2 | 0 | 0 | 0 | 113.9 | ||||
| 127 | R | 49.7 | Very low | 43.3 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | 10.9 | 136.1 | 154 | -78.5 | 175.2 | 166.1 | 173.5 | -5.3 | 122.5 | ||||
| 128 | K | 39.9 | Very low | 42.7 | Very low | 211 Ų | 211 | 150.6 Ų | 150.6 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -39.4 | 136.8 | 159.2 | -57.9 | 170.2 | 177.4 | 177.9 | 0 | 115.1 | ||||
| 129 | S | 48.5 | Very low | 42.3 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -125 | 146.6 | 155.7 | -70.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 130 | K | 41.7 | Very low | 41.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -91.6 | 164.8 | -176.4 | -69.4 | 176.2 | 173.5 | 177.1 | 0 | 111.9 | ||||
| 131 | M | 38.3 | Very low | 41.1 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | 71 | 144.9 | 170 | -60.3 | 162.5 | 65.3 | 0 | 0 | 113.3 | ||||
| 132 | V | 39.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | cis | -127.1 | 148.2 | 23.2 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | P134 | V132-P134 WeakPolarHBondContact O-CD 3.07Š| ||
| 133 | K | 34.7 | Very low | 39.6 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 116.1 | 174.3 | -179.9 | -179.1 | -179.1 | -177.9 | 0 | 109.7 | S135 | K133-S135 PolarHBondContact O-N 3.32Š| ||
| 134 | P | 40.9 | Very low | 38.7 | Very low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 130 | 174.2 | -16.4 | 31.4 | 0 | 0 | 0 | 109.9 | V132 Q136 | V132-P134 WeakPolarHBondContact O-CD 3.07Å; P134-Q136 PolarHBondContact O-N 2.95Å | ||
| 135 | S | 34.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 115 | 171.6 | -164.3 | 0 | 0 | 0 | 0 | 108.7 | K133 T137 | K133-S135 PolarHBondContact O-N 3.32Å; S135-T137 PolarHBondContact O-N 2.91Å | ||
| 136 | Q | 40.1 | Very low | 37.6 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -80.7 | 105.9 | 173.3 | -77.1 | -177.8 | -20.9 | 0 | 0 | 109.1 | P134 | P134-Q136 PolarHBondContact O-N 2.95Š| ||
| 137 | T | 39.2 | Very low | 36.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -56.1 | 134.1 | 165.5 | -40.8 | 0 | 0 | 0 | 0 | 109 | S135 Q139 | S135-T137 PolarHBondContact O-N 2.91Å; T137-Q139 PolarHBondContact O-N 2.93Å; T137-Q139 VanDerWaalsContact O-N 3.09Å | ||
| 138 | P | 35.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -61.9 | 115.5 | 178 | -21 | 32.4 | 0 | 0 | 0 | 110.6 | ||||
| 139 | Q | 35.1 | Very low | 36.2 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140 | 163.7 | -87.5 | -170.2 | -81.4 | 0 | 0 | 108.9 | T137 T141 | T137-Q139 PolarHBondContact O-N 2.93Å; T137-Q139 VanDerWaalsContact O-N 3.09Å; Q139-T141 PolarHBondContact O-N 2.77Å |
| 140 | P | 31.5 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126.1 | -179.3 | 25.7 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 141 | T | 30.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 77% | 0.767 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.5 | 168.9 | 29.5 | 0 | 0 | 0 | 0 | 109.9 | Q139 D143 | Q139-T141 PolarHBondContact O-N 2.77Å; T141-D143 PolarHBondContact O-N 3.27Å |
| 142 | P | 30.3 | Very low | 36.8 | Very low | 83 Ų | 83 | 117 Ų | 117 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 126 | 169.9 | -17.2 | 30.5 | 0 | 0 | 0 | 109.8 | Y144 | P142-Y144 HydrophobicContact CB-CE2 4.1Å; P142-Y144 HydrophobicContact CG-CE2 4.39Å; P142-Y144 WeakPolarHBondContact O-CD2 3.26Å; P142-Y144 PolarHBondContact O-N 2.76Å; P142-Y144 VanDerWaalsContact O-N 3.07Å |
| 143 | D | 30.4 | Very low | 36.8 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 86% | 0.861 | 66% | 0.658 | S | S | * | * | trans | -67.2 | 104.9 | 168.9 | -84.2 | -42.4 | 0 | 0 | 0 | 109.4 | T141 P145 | T141-D143 PolarHBondContact O-N 3.27Å; D143-P145 WeakPolarHBondContact O-CD 3.29Å | ||
| 144 | Y | 30.7 | Very low | 36.7 | Very low | 75 Ų | 75 | 112.3 Ų | 112.3 | 29% | 0.294 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 117.7 | 174.7 | -70.4 | -86.8 | 0 | 0 | 0 | 109.5 | P142 V146 P399 | P142-Y144 HydrophobicContact CB-CE2 4.1Å; P142-Y144 HydrophobicContact CG-CE2 4.39Å; P142-Y144 WeakPolarHBondContact O-CD2 3.26Å; P142-Y144 PolarHBondContact O-N 2.76Å; P142-Y144 VanDerWaalsContact O-N 3.07Å; Y144-V146 PolarHBondContact O-N 2.81Å; Y144-P399 HydrophobicContact CE2-CG 3.93Å |
| 145 | P | 34.9 | Very low | 36.3 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 50% | 0.5 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 132.1 | -177.8 | 24.4 | -32.8 | 0 | 0 | 0 | 111.7 | D143 | D143-P145 WeakPolarHBondContact O-CD 3.29Š|
| 146 | V | 33 | Very low | 36 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 111 | Y144 H148 | Y144-V146 PolarHBondContact O-N 2.81Å; V146-H148 PolarHBondContact O-N 3.03Å |
| 147 | S | 36.2 | Very low | 35.5 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | trans | -40.4 | 110.5 | 176.2 | -178 | 0 | 0 | 0 | 0 | 113 | ||||
| 148 | H | 35.1 | Very low | 34.9 | Very low | 74 Ų | 74 | 120 Ų | 120 | 34% | 0.343 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 132.7 | 179.9 | -68.1 | -69.1 | 0 | 0 | 0 | 111.3 | V146 Y318 R330 | V146-H148 PolarHBondContact O-N 3.03Å; H148-Y318 PolarHBondContact CD2-OH 3.19Å; H148-R330 VanDerWaalsContact CB-CZ 3.49Å; H148-R330 VanDerWaalsContact O-CZ 3.28Å; H148-R330 PolarHBondContact O-NE 2.91Å; H148-R330 PolarHBondContact O-NH2 2.78Å; H148-R330 VanDerWaalsContact O-NH2 3.13Å |
| 149 | K | 39.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 147.7 | 178.9 | -151.2 | 165.8 | -174 | 172.5 | 0 | 111.8 | R330 | K149-R330 PolarHBondContact O-NH2 2.82Š|
| 150 | I | 51.7 | Low | 34.4 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 34% | 0.344 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 147.4 | 178.4 | -65.7 | 174.1 | 0 | 0 | 0 | 110 | S152 A184 V328 | I150-S152 PolarHBondContact O-N 3.44Å; I150-A184 HydrophobicContact CG2-CB 3.8Å; I150-V328 WeakPolarHBondContact CD1-O 3.32Å |
| 151 | C | 51.3 | Low | 34.3 | Very low | 21 Ų | 21 | 118.6 Ų | 118.6 | 14% | 0.142 | 66% | 0.657 | C | S | . | * | trans | -71.5 | 84.7 | -178.6 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | H153 C181 L182 | C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 3.25Å; C151-C181 HydrophobicContact CB-CB 4Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.42Å; C151-C181 CovalentContact SG-SG 2.01Å; C151-C181 PolarHBondContact SG-SG 3.48Å; C151-L182 PolarHBondContact SG-N 3.07Å; C151-L182 PolarHBondContact SG-O 2.87Å | ||
| 152 | S | 38.9 | Very low | 34 | Very low | 112 Ų | 112 | 119.6 Ų | 119.6 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | trans | -73.6 | 80.1 | 172.9 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | I150 G154 | I150-S152 PolarHBondContact O-N 3.44Å; S152-G154 PolarHBondContact O-N 3.31Å | ||
| 153 | H | 39.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | trans | -74.9 | 60.3 | 161.2 | -74.6 | -69.2 | 0 | 0 | 0 | 110.5 | C151 K155 | C151-H153 VanDerWaalsContact C-N 3.29Å; C151-H153 PolarHBondContact O-N 3.25Å; H153-K155 PolarHBondContact O-N 3.3Å | ||
| 154 | G | 31.3 | Very low | 33.8 | Very low | 62 Ų | 62 | 123.2 Ų | 123.2 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | trans | -71.8 | 108.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S152 T156 | S152-G154 PolarHBondContact O-N 3.31Å; G154-T156 PolarHBondContact O-N 2.96Å | ||
| 155 | K | 32.4 | Very low | 33.6 | Very low | 184 Ų | 184 | 127 Ų | 127 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -62.7 | 123.3 | 152.3 | -85.2 | -173.7 | 171.7 | -173.6 | 0 | 106.6 | H153 E157 | H153-K155 PolarHBondContact O-N 3.3Å; K155-E157 PolarHBondContact O-N 3.37Å | ||
| 156 | T | 28.7 | Very low | 33.2 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 90% | 0.896 | 70% | 0.701 | S | S | * | * | trans | -71.6 | 74.1 | 173 | 15.6 | 0 | 0 | 0 | 0 | 110.3 | G154 | G154-T156 PolarHBondContact O-N 2.96Š| ||
| 157 | E | 30.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -80 | 115 | 160.9 | -76.3 | -179.1 | -174.3 | 0 | 0 | 108.4 | K155 L159 | K155-E157 PolarHBondContact O-N 3.37Å; E157-L159 PolarHBondContact O-N 3.32Å | ||
| 158 | K | 24.8 | Very low | 32.8 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -67.6 | 101.2 | 177.6 | -70.8 | 178.8 | 175.6 | 179.6 | 0 | 109.5 | ||||
| 159 | L | 32.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | -97.7 | 127.2 | 150.2 | -97.5 | 84.8 | 0 | 0 | 0 | 109.3 | E157 G161 | E157-L159 PolarHBondContact O-N 3.32Å; L159-G161 PolarHBondContact O-N 2.97Å; L159-G161 VanDerWaalsContact O-N 3.13Å | ||
| 160 | N | 28.7 | Very low | 31.8 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 92% | 0.92 | 73% | 0.73 | S | S | * | * | trans | -67.3 | 106.9 | 170.3 | -71.8 | -21 | 0 | 0 | 0 | 108.6 | ||||
| 161 | G | 29.3 | Very low | 30.7 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | 171.5 | 95.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L159 F163 | L159-G161 PolarHBondContact O-N 2.97Å; L159-G161 VanDerWaalsContact O-N 3.13Å; G161-F163 PolarHBondContact O-N 2.87Å; G161-F163 VanDerWaalsContact O-N 3.14Å | ||
| 162 | T | 24.9 | Very low | 29.5 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -32.8 | 111.1 | 173.7 | 43 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 163 | F | 28 | Very low | 29.1 | Very low | 207 Ų | 207 | 145.1 Ų | 145.1 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -123.7 | 128.3 | 153.8 | -147.2 | -92.4 | 0 | 0 | 0 | 108.9 | G161 D165 | G161-F163 PolarHBondContact O-N 2.87Å; G161-F163 VanDerWaalsContact O-N 3.14Å; F163-D165 PolarHBondContact O-N 3.28Å | ||
| 164 | V | 28.2 | Very low | 28.3 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 106.2 | -168.7 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | S166 | V164-S166 PolarHBondContact O-N 3Š| ||
| 165 | D | 25.8 | Very low | 28 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 116.7 | 168.5 | -168.7 | 14.1 | 0 | 0 | 0 | 109 | F163 | F163-D165 PolarHBondContact O-N 3.28Š| ||
| 166 | S | 27.4 | Very low | 27.7 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 56% | 0.559 | 79% | 0.789 | S | S | * | * | trans | -116.6 | 130.9 | -176.9 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | V164 | V164-S166 PolarHBondContact O-N 3Š| ||
| 167 | T | 30.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 73.4 | 82.8 | 173.1 | 59.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 168 | Q | 29.1 | Very low | 27.8 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -50.6 | 173.2 | 138.3 | -65 | 173.3 | -27.2 | 0 | 0 | 112.6 | ||||
| 169 | N | 27.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 81.3 | 134.1 | -179.9 | -56.9 | -20.4 | 0 | 0 | 0 | 114.6 | ||||
| 170 | S | 27.2 | Very low | 29.7 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -162 | 173.5 | -4.6 | 46.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 171 | H | 28.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 94.3 | 168.7 | -60.5 | -67.1 | 0 | 0 | 0 | 119.3 | L173 | H171-L173 PolarHBondContact O-N 2.84Š| ||
| 172 | I | 25.4 | Very low | 33.6 | Very low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 123.4 | 148.5 | -62 | 163.6 | 0 | 0 | 0 | 108.3 | ||||
| 173 | L | 30.4 | Very low | 35.8 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -130.2 | 123.8 | 166.7 | -110.2 | 161.1 | 0 | 0 | 0 | 107.9 | H171 G175 | H171-L173 PolarHBondContact O-N 2.84Å; L173-G175 PolarHBondContact O-N 2.76Å | ||
| 174 | N | 23.9 | Very low | 37.9 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | trans | -67.4 | 97.9 | -176 | -76.7 | -25.8 | 0 | 0 | 0 | 110.6 | ||||
| 175 | G | 25.3 | Very low | 40.2 | Very low | 61 Ų | 61 | 112 Ų | 112 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | trans | -120.4 | 131.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L173 | L173-G175 PolarHBondContact O-N 2.76Š| ||
| 176 | T | 25.9 | Very low | 43.1 | Very low | 124 Ų | 124 | 105 Ų | 105 | 76% | 0.761 | 58% | 0.582 | S | S | * | * | trans | -42.8 | 138.5 | -176.3 | 37.3 | 0 | 0 | 0 | 0 | 115.6 | E178 | T176-E178 PolarHBondContact O-N 2.76Š| ||
| 177 | W | 27 | Very low | 45.9 | Very low | 268 Ų | 268 | 101.4 Ų | 101.4 | 100% | 1.015 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 28.3 | -169.3 | -94 | 55.7 | 0 | 0 | 0 | 117.2 | ||
| 178 | E | 34.3 | Very low | 48.7 | Very low | 165 Ų | 165 | 95.5 Ų | 95.5 | 77% | 0.771 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.9 | -175.3 | -68.8 | -158.3 | 118 | 0 | 0 | 115.5 | T176 G180 | T176-E178 PolarHBondContact O-N 2.76Å; E178-G180 PolarHBondContact O-N 3.44Å; E178-G180 VanDerWaalsContact O-N 3.12Å |
| 179 | N | 42.5 | Very low | 51.5 | Low | 101 Ų | 101 | 87.6 Ų | 87.6 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | trans | -89.3 | 82 | -173 | -74.5 | -36 | 0 | 0 | 0 | 113.6 | C181 | N179-C181 PolarHBondContact O-N 2.71Š| ||
| 180 | G | 54 | Low | 54.5 | Low | 45 Ų | 45 | 80.3 Ų | 80.3 | 46% | 0.464 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 124.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E178 L182 W380 | E178-G180 PolarHBondContact O-N 3.44Å; E178-G180 VanDerWaalsContact O-N 3.12Å; G180-L182 PolarHBondContact O-N 3.39Å; G180-W380 PolarHBondContact O-NE1 3.49Å |
| 181 | C | 67.4 | Low | 57.3 | Low | 77 Ų | 77 | 76.9 Ų | 76.9 | 52% | 0.52 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 123 | -167.1 | -146 | 0 | 0 | 0 | 0 | 112.8 | C151 N179 P183 | C151-C181 HydrophobicContact CB-CB 4Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.42Å; C151-C181 CovalentContact SG-SG 2.01Å; C151-C181 PolarHBondContact SG-SG 3.48Å; N179-C181 PolarHBondContact O-N 2.71Å; C181-P183 WeakPolarHBondContact O-CD 3.45Å |
| 182 | L | 72.3 | Confident | 59.8 | Low | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74 | 117.3 | 179.9 | -173.8 | 75.4 | 0 | 0 | 0 | 110.7 | C151 G180 Y302 Y318 I320 R330 V373 W380 | C151-L182 PolarHBondContact SG-N 3.07Å; C151-L182 PolarHBondContact SG-O 2.87Å; G180-L182 PolarHBondContact O-N 3.39Å; L182-Y302 HydrophobicContact CD1-CE1 3.65Å; L182-Y302 WeakPolarHBondContact CD1-OH 3.37Å; L182-Y302 HydrophobicContact CG-CE1 4.36Å; L182-Y302 WeakPolarHBondContact CG-OH 3.39Å; L182-Y318 HydrophobicContact CD2-CD2 4.34Å; L182-Y318 HydrophobicContact CD2-CG 4.37Å; L182-I320 HydrophobicContact CD2-CD1 4.12Å; L182-I320 HydrophobicContact CD2-CG1 4.46Å; L182-R330 VanDerWaalsContact CB-NH1 3.28Å; L182-R330 HydrophobicContact CD2-CB 4.5Å; L182-R330 VanDerWaalsContact CD2-CD 3.43Å; L182-V373 HydrophobicContact CD1-CG2 4.06Å; L182-V373 HydrophobicContact CD2-CG2 4.49Å; L182-W380 HydrophobicContact CD1-CB 3.93Å; L182-W380 HydrophobicContact CD1-CD2 3.2Å; L182-W380 HydrophobicContact CD1-CE3 3.5Å; L182-W380 VanDerWaalsContact CD1-CE3 3.5Å; L182-W380 HydrophobicContact CD1-CG 3.39Å; L182-W380 HydrophobicContact CD1-CZ2 4.27Å; L182-W380 HydrophobicContact CD1-CZ3 4.15Å |
| 183 | P | 71 | Confident | 62.2 | Low | 40 Ų | 40 | 66.1 Ų | 66.1 | 26% | 0.26 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156.6 | -176.3 | 26.4 | -35.2 | 0 | 0 | 0 | 112.8 | C181 K300 Y302 | C181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-K300 HydrophobicContact CB-CB 4.39Å; P183-Y302 HydrophobicContact CG-CD1 4.49Å; P183-Y302 HydrophobicContact CG-CE1 3.75Å; P183-Y302 PolarHBondContact O-OH 3.32Å |
| 184 | A | 72.4 | Confident | 63.9 | Low | 21 Ų | 21 | 62 Ų | 62 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 135.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I150 L299 K300 | I150-A184 HydrophobicContact CG2-CB 3.8Å; A184-L299 HydrophobicContact CB-CD2 3.68Å; A184-L299 WeakPolarHBondContact O-CA 3.35Å; A184-K300 PolarHBondContact O-N 2.84Å; A184-K300 VanDerWaalsContact O-N 3.11Å |
| 185 | A | 77.8 | Confident | 65.5 | Low | 7 Ų | 7 | 57 Ų | 57 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | trans | -112.2 | 142.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I187 I205 Y302 I320 | A185-I187 VanDerWaalsContact C-N 3.26Å; A185-I187 HydrophobicContact CB-CD1 4.23Å; A185-I187 HydrophobicContact CB-CG1 4.33Å; A185-I187 PolarHBondContact O-N 3.36Å; A185-I205 HydrophobicContact CB-CD1 4.31Å; A185-Y302 HydrophobicContact CB-CD2 4.36Å; A185-Y302 HydrophobicContact CB-CE2 3.45Å; A185-Y302 VanDerWaalsContact CB-CE2 3.45Å; A185-I320 HydrophobicContact CB-CD1 4.28Å; A185-I320 HydrophobicContact CB-CG2 4.42Å | ||
| 186 | P | 84.7 | Confident | 66.5 | Low | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | trans | -80.8 | 73.9 | -179 | 35.5 | -37.5 | 0 | 0 | 0 | 110.9 | I205 L206 L295 L299 P301 | P186-I205 HydrophobicContact CG-CG1 4.33Å; P186-L206 HydrophobicContact CB-CB 4Å; P186-L206 HydrophobicContact CB-CD1 4.1Å; P186-L206 HydrophobicContact CG-CB 3.92Å; P186-L206 PolarHBondContact O-N 3.06Å; P186-L295 HydrophobicContact CB-CD2 3.47Å; P186-L295 VanDerWaalsContact CB-CD2 3.47Å; P186-L295 HydrophobicContact CG-CD2 3.82Å; P186-L299 HydrophobicContact CB-CD1 4.44Å; P186-P301 HydrophobicContact CG-CB 4.17Å | ||
| 187 | I | 87.9 | Confident | 67.2 | Low | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.3 | 176.9 | -58.5 | -57.2 | 0 | 0 | 0 | 110.6 | A185 T203 G204 I205 I320 I322 V328 P371 | A185-I187 VanDerWaalsContact C-N 3.26Å; A185-I187 HydrophobicContact CB-CD1 4.23Å; A185-I187 HydrophobicContact CB-CG1 4.33Å; A185-I187 PolarHBondContact O-N 3.36Å; I187-T203 HydrophobicContact CG2-CG2 3.59Å; I187-G204 WeakPolarHBondContact CA-O 3.41Å; I187-I205 HydrophobicContact CD1-CB 4.29Å; I187-I205 HydrophobicContact CD1-CD1 4.49Å; I187-I205 HydrophobicContact CD1-CG1 4.39Å; I187-I320 HydrophobicContact CD1-CB 4.23Å; I187-I320 HydrophobicContact CD1-CG2 3.93Å; I187-I320 HydrophobicContact CG1-CG2 3.82Å; I187-I322 HydrophobicContact CG2-CD1 4.15Å; I187-I322 HydrophobicContact CG2-CG1 4.25Å; I187-V328 HydrophobicContact CB-CG1 4.41Å; I187-V328 HydrophobicContact CB-CG2 4.25Å; I187-V328 HydrophobicContact CG1-CG1 3.93Å; I187-P371 HydrophobicContact CD1-CG 3.75Å |
| 188 | V | 88.2 | Confident | 68 | Low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.5 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | G204 L206 V218 V235 Y236 V237 | V188-G204 PolarHBondContact N-O 3.17Å; V188-G204 PolarHBondContact O-N 3.22Å; V188-L206 HydrophobicContact CG1-CD1 3.78Å; V188-L206 HydrophobicContact CG1-CG 3.81Å; V188-V218 HydrophobicContact CG2-CB 4.4Å; V188-V218 HydrophobicContact CG2-CG1 3.55Å; V188-V218 HydrophobicContact CG2-CG2 3.89Å; V188-V235 HydrophobicContact CB-CG1 3.72Å; V188-V235 HydrophobicContact CG1-CG1 4.13Å; V188-V235 HydrophobicContact CG2-CG1 3.86Å; V188-Y236 CarbonylContact C-O 3.54Å; V188-Y236 VanDerWaalsContact CA-O 3.28Å; V188-Y236 WeakPolarHBondContact CA-O 3.48Å; V188-Y236 VanDerWaalsContact CB-O 3.3Å; V188-Y236 WeakPolarHBondContact CB-O 3.41Å; V188-V237 HydrophobicContact CG1-CB 4.38Å; V188-V237 HydrophobicContact CG1-CG1 4.29Å; V188-V237 HydrophobicContact CG1-CG2 4Å |
| 189 | Q | 88.8 | Confident | 68.7 | Low | 11 Ų | 11 | 44.8 Ų | 44.8 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.6 | 167.1 | -68.7 | -170.8 | -25.4 | 0 | 0 | 110.6 | C202 V235 Y236 I322 | Q189-C202 CarbonylContact C-O 3.54Å; Q189-C202 WeakPolarHBondContact CA-O 3.42Å; Q189-V235 CarbonylContact O-C 3.44Å; Q189-V235 WeakPolarHBondContact O-CA 3.21Å; Q189-Y236 PolarHBondContact N-O 2.85Å; Q189-Y236 PolarHBondContact O-N 2.82Å; Q189-I322 HydrophobicContact CG-CD1 3.38Å |
| 190 | I | 89.5 | Confident | 69.7 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.7 | 173.4 | -52 | 176.1 | 0 | 0 | 0 | 106.8 | G201 C202 V218 T220 V225 Y233 V235 V287 | I190-G201 CarbonylContact O-C 3.55Å; I190-G201 VanDerWaalsContact O-CA 3.3Å; I190-G201 WeakPolarHBondContact O-CA 3.46Å; I190-C202 HydrophobicContact CB-CB 4.37Å; I190-C202 PolarHBondContact N-O 2.81Å; I190-C202 PolarHBondContact O-N 2.89Å; I190-V218 HydrophobicContact CD1-CG1 4.09Å; I190-T220 HydrophobicContact CD1-CG2 3.52Å; I190-V225 HydrophobicContact CD1-CG1 4.49Å; I190-V225 HydrophobicContact CG2-CG1 3.8Å; I190-Y233 HydrophobicContact CG2-CD1 4.25Å; I190-V235 HydrophobicContact CG1-CG2 4.23Å; I190-V287 HydrophobicContact CD1-CG2 4.49Å |
| 191 | V | 85.1 | Confident | 70.8 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.2 | -176.5 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | Y233 K234 Y236 M241 | V191-Y233 WeakPolarHBondContact O-CA 3.36Å; V191-K234 PolarHBondContact N-O 3.17Å; V191-K234 PolarHBondContact O-N 3.44Å; V191-K234 VanDerWaalsContact O-N 3.07Å; V191-Y236 HydrophobicContact CB-CD2 4.37Å; V191-Y236 HydrophobicContact CB-CE2 4.03Å; V191-Y236 HydrophobicContact CG2-CD2 3.77Å; V191-Y236 HydrophobicContact CG2-CE2 3.8Å; V191-M241 HydrophobicContact CG2-CE 4.19Å |
| 192 | D | 80.9 | Confident | 71.9 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117 | 170.4 | -166.8 | -39.2 | 0 | 0 | 0 | 109.4 | S194 K232 Y233 | D192-S194 VanDerWaalsContact C-N 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.49Å; D192-S194 PolarHBondContact OD1-N 3.05Å; D192-S194 PolarHBondContact OD1-OG 2.82Å; D192-K232 CarbonylContact C-O 3.48Å; D192-K232 VanDerWaalsContact CG-NZ 3.27Å; D192-K232 WeakPolarHBondContact OD1-CG 3.38Å; D192-K232 IonicContact OD1-NZ 2.71Å; D192-K232 PolarHBondContact OD1-NZ 2.98Å; D192-K232 VanDerWaalsContact OD1-NZ 3.15Å; D192-K232 WeakPolarHBondContact OD2-CE 3.37Å; D192-K232 IonicContact OD2-NZ 3.57Å; D192-K232 PolarHBondContact OD2-NZ 2.89Å; D192-Y233 HydrophobicContact CB-CD1 4.34Å; D192-Y233 HydrophobicContact CB-CE1 4.07Å |
| 193 | L | 76.8 | Confident | 72.8 | Confident | 76 Ų | 76 | 41 Ų | 41 | 40% | 0.398 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -80.9 | -7.2 | -179.1 | -62.1 | -172.8 | 0 | 0 | 0 | 113.8 | K232 K234 | L193-K232 PolarHBondContact N-O 2.9Å; L193-K234 HydrophobicContact CD1-CG 3.67Å; L193-K234 HydrophobicContact CD2-CG 4.13Å; L193-K234 HydrophobicContact CG-CG 4.07Å |
| 194 | S | 66.4 | Low | 73.9 | Confident | 73 Ų | 73 | 39.1 Ų | 39.1 | 51% | 0.51 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -95.6 | -17.4 | -178.9 | 65.1 | 0 | 0 | 0 | 0 | 114 | D192 K232 | D192-S194 VanDerWaalsContact C-N 3.3Å; D192-S194 WeakPolarHBondContact OD1-CB 3.49Å; D192-S194 PolarHBondContact OD1-N 3.05Å; D192-S194 PolarHBondContact OD1-OG 2.82Å; S194-K232 WeakPolarHBondContact OG-CD 3.3Å; S194-K232 WeakPolarHBondContact OG-CG 3.4Å; S194-K232 PolarHBondContact OG-NZ 3.24Å |
| 195 | D | 56.2 | Low | 74.8 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -83.1 | 126.8 | 169.2 | -112.8 | -53.4 | 0 | 0 | 0 | 108.9 | S197 K200 | D195-S197 PolarHBondContact O-N 3.2Å; D195-K200 VanDerWaalsContact CG-NZ 3.27Å; D195-K200 IonicContact OD1-NZ 3.67Å; D195-K200 PolarHBondContact OD1-NZ 2.85Å; D195-K200 WeakPolarHBondContact OD2-CD 3.35Å; D195-K200 IonicContact OD2-NZ 2.84Å; D195-K200 PolarHBondContact OD2-NZ 2.88Å |
| 196 | T | 46.4 | Very low | 75.4 | Confident | 135 Ų | 135 | 38 Ų | 38 | 83% | 0.828 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -72.1 | -10.1 | 179.3 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | R250 | T196-R250 PolarHBondContact O-NH2 3.31Š|
| 197 | S | 42.2 | Very low | 75.7 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | trans | -97.7 | 118.3 | 167.8 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | D195 E199 | D195-S197 PolarHBondContact O-N 3.2Å; S197-E199 PolarHBondContact O-N 3Å; S197-E199 VanDerWaalsContact O-N 3.08Å; S197-E199 WeakPolarHBondContact OG-CB 3.37Å; S197-E199 WeakPolarHBondContact OG-CG 3.42Å; S197-E199 PolarHBondContact OG-N 2.85Å; S197-E199 PolarHBondContact OG-OE2 2.9Å | ||
| 198 | P | 44 | Very low | 75.5 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 3.3 | 173.3 | 31.4 | -35.8 | 0 | 0 | 0 | 113.6 | K200 | P198-K200 VanDerWaalsContact C-N 3.34Š|
| 199 | E | 48 | Very low | 75.2 | Confident | 139 Ų | 139 | 42.1 Ų | 42.1 | 65% | 0.65 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.5 | -176.6 | -59.1 | 171.6 | 158.4 | 0 | 0 | 113.5 | S197 N366 | S197-E199 PolarHBondContact O-N 3Å; S197-E199 VanDerWaalsContact O-N 3.08Å; S197-E199 WeakPolarHBondContact OG-CB 3.37Å; S197-E199 WeakPolarHBondContact OG-CG 3.42Å; S197-E199 PolarHBondContact OG-N 2.85Å; S197-E199 PolarHBondContact OG-OE2 2.9Å; E199-N366 PolarHBondContact O-OD1 2.9Å |
| 200 | K | 63 | Low | 74.7 | Confident | 129 Ų | 129 | 46.9 Ų | 46.9 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | trans | -103 | 41.8 | 175.2 | -64.1 | 176.3 | -172.3 | 163 | 0 | 112.8 | D195 P198 | D195-K200 VanDerWaalsContact CG-NZ 3.27Å; D195-K200 IonicContact OD1-NZ 3.67Å; D195-K200 PolarHBondContact OD1-NZ 2.85Å; D195-K200 WeakPolarHBondContact OD2-CD 3.35Å; D195-K200 IonicContact OD2-NZ 2.84Å; D195-K200 PolarHBondContact OD2-NZ 2.88Å; P198-K200 VanDerWaalsContact C-N 3.34Å | ||
| 201 | G | 78 | Confident | 74.2 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | trans | -71.8 | 165.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | I190 N366 | I190-G201 CarbonylContact O-C 3.55Å; I190-G201 VanDerWaalsContact O-CA 3.3Å; I190-G201 WeakPolarHBondContact O-CA 3.46Å; G201-N366 VanDerWaalsContact CA-ND2 3.3Å; G201-N366 WeakPolarHBondContact CA-ND2 3.38Å; G201-N366 PolarHBondContact N-ND2 3.3Å; G201-N366 VanDerWaalsContact N-ND2 3.18Å; G201-N366 VanDerWaalsContact O-CB 3.28Å; G201-N366 WeakPolarHBondContact O-CB 3.25Å | ||
| 202 | C | 90.2 | Very high | 74.1 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 162.7 | 165.2 | -89.3 | 0 | 0 | 0 | 0 | 110.9 | Q189 I190 C224 N366 T368 | Q189-C202 CarbonylContact C-O 3.54Å; Q189-C202 WeakPolarHBondContact CA-O 3.42Å; I190-C202 HydrophobicContact CB-CB 4.37Å; I190-C202 PolarHBondContact N-O 2.81Å; I190-C202 PolarHBondContact O-N 2.89Å; C202-C224 HydrophobicContact CB-CB 3.44Å; C202-C224 VanDerWaalsContact CB-CB 3.44Å; C202-C224 WeakPolarHBondContact CB-SG 3.13Å; C202-C224 VanDerWaalsContact SG-CA 3.5Å; C202-C224 WeakPolarHBondContact SG-CB 3.28Å; C202-C224 CovalentContact SG-SG 2.03Å; C202-C224 PolarHBondContact SG-SG 2.64Å; C202-N366 CarbonylContact C-O 3.59Å; C202-T368 WeakPolarHBondContact CB-O 3.23Å |
| 203 | T | 91.8 | Very high | 73.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 149.5 | 168.6 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | I187 T220 N366 T368 G369 A370 | I187-T203 HydrophobicContact CG2-CG2 3.59Å; T203-T220 PolarHBondContact O-OG1 3.35Å; T203-N366 PolarHBondContact N-O 3.23Å; T203-N366 PolarHBondContact OG1-O 2.87Å; T203-T368 PolarHBondContact N-O 3.19Å; T203-G369 CarbonylContact O-C 3.53Å; T203-G369 VanDerWaalsContact O-CA 3.3Å; T203-G369 WeakPolarHBondContact O-CA 3.33Å; T203-A370 HydrophobicContact CG2-CB 3.77Å |
| 204 | G | 92.7 | Very high | 74.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 178.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I187 V188 L219 | I187-G204 WeakPolarHBondContact CA-O 3.41Å; V188-G204 PolarHBondContact N-O 3.17Å; V188-G204 PolarHBondContact O-N 3.22Å; G204-L219 VanDerWaalsContact CA-O 3.28Å; G204-L219 WeakPolarHBondContact CA-O 3.47Å |
| 205 | I | 92.2 | Very high | 75.2 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.4 | 174.1 | -175.8 | 170.1 | 0 | 0 | 0 | 109.8 | A185 P186 I187 Y207 V218 L219 Y302 P371 | A185-I205 HydrophobicContact CB-CD1 4.31Å; P186-I205 HydrophobicContact CG-CG1 4.33Å; I187-I205 HydrophobicContact CD1-CB 4.29Å; I187-I205 HydrophobicContact CD1-CD1 4.49Å; I187-I205 HydrophobicContact CD1-CG1 4.39Å; I205-Y207 PolarHBondContact O-N 3.11Å; I205-V218 WeakPolarHBondContact O-CA 3.43Å; I205-L219 HydrophobicContact CG2-CB 4.18Å; I205-L219 PolarHBondContact N-O 2.77Å; I205-L219 PolarHBondContact O-N 3.39Å; I205-Y302 HydrophobicContact CD1-CD2 3.89Å; I205-Y302 HydrophobicContact CD1-CE2 4.38Å; I205-P371 HydrophobicContact CB-CG 4.14Å; I205-P371 HydrophobicContact CD1-CB 4.45Å; I205-P371 HydrophobicContact CD1-CG 4.11Å; I205-P371 HydrophobicContact CG2-CB 4.27Å; I205-P371 HydrophobicContact CG2-CG 4.33Å |
| 206 | L | 90.8 | Very high | 76.8 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.8 | 170.2 | -72 | 157.7 | 0 | 0 | 0 | 110 | P186 V188 T217 V218 V237 L289 I293 | P186-L206 HydrophobicContact CB-CB 4Å; P186-L206 HydrophobicContact CB-CD1 4.1Å; P186-L206 HydrophobicContact CG-CB 3.92Å; P186-L206 PolarHBondContact O-N 3.06Å; V188-L206 HydrophobicContact CG1-CD1 3.78Å; V188-L206 HydrophobicContact CG1-CG 3.81Å; L206-T217 CarbonylContact C-O 3.48Å; L206-T217 WeakPolarHBondContact CA-O 3.18Å; L206-V218 HydrophobicContact CD2-CG2 3.52Å; L206-V218 HydrophobicContact CG-CG2 4.17Å; L206-V237 HydrophobicContact CD1-CG1 4.04Å; L206-L289 HydrophobicContact CD2-CD1 4.23Å; L206-I293 HydrophobicContact CD1-CB 4.36Å; L206-I293 HydrophobicContact CD1-CD1 3.82Å; L206-I293 HydrophobicContact CD1-CG2 4.02Å; L206-I293 HydrophobicContact CD2-CD1 3.62Å; L206-I293 HydrophobicContact CG-CD1 4.36Å |
| 207 | Y | 89.9 | Confident | 79 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.7 | 171.5 | 172.7 | -98.1 | 0 | 0 | 0 | 109.7 | I205 R209 S215 T217 L219 L304 I417 | I205-Y207 PolarHBondContact O-N 3.11Å; Y207-R209 HydrophobicContact CE1-CG 4.11Å; Y207-S215 VanDerWaalsContact O-CB 3.26Å; Y207-S215 WeakPolarHBondContact O-CB 3.45Å; Y207-S215 PolarHBondContact O-OG 3.12Å; Y207-T217 HydrophobicContact CD1-CG2 4.22Å; Y207-T217 PolarHBondContact N-O 2.73Å; Y207-L219 HydrophobicContact CD2-CD1 3.99Å; Y207-L219 HydrophobicContact CG-CD1 4.04Å; Y207-L219 HydrophobicContact CG-CG 4.45Å; Y207-L304 HydrophobicContact CD2-CD1 4.19Å; Y207-L304 HydrophobicContact CD2-CD2 4.32Å; Y207-L304 HydrophobicContact CD2-CG 4.24Å; Y207-L304 HydrophobicContact CE2-CD1 3.92Å; Y207-L304 HydrophobicContact CE2-CG 4Å; Y207-I417 HydrophobicContact CD1-CD1 3.87Å; Y207-I417 HydrophobicContact CD1-CG2 4.13Å; Y207-I417 HydrophobicContact CD2-CD1 4.19Å; Y207-I417 HydrophobicContact CE1-CD1 3.84Å; Y207-I417 HydrophobicContact CE1-CG2 3.88Å; Y207-I417 HydrophobicContact CE2-CD1 4.17Å; Y207-I417 HydrophobicContact CG-CD1 4.03Å |
| 208 | V | 84.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | trans | -132.8 | 128.9 | -172.5 | -161.1 | 0 | 0 | 0 | 0 | 106.7 | E212 L295 P301 | V208-E212 HydrophobicContact CG1-CB 4.11Å; V208-E212 WeakPolarHBondContact CG1-O 3.35Å; V208-L295 HydrophobicContact CB-CD1 4.02Å; V208-L295 HydrophobicContact CG1-CD1 3.51Å; V208-L295 HydrophobicContact CG2-CD1 3.3Å; V208-L295 HydrophobicContact CG2-CD2 4.21Å; V208-L295 HydrophobicContact CG2-CG 4.38Å; V208-P301 HydrophobicContact CB-CG 3.78Å; V208-P301 HydrophobicContact CG2-CB 4.17Å; V208-P301 HydrophobicContact CG2-CG 3.6Å | ||
| 209 | R | 81.7 | Confident | 83.9 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | trans | -68.3 | 154.2 | -179.1 | -72.1 | 177.5 | 158.4 | 146.3 | -2.4 | 111 | Y207 K211 E212 D418 E421 | Y207-R209 HydrophobicContact CE1-CG 4.11Å; R209-K211 PolarHBondContact O-N 2.87Å; R209-E212 HydrophobicContact CB-CB 4.42Å; R209-E212 HydrophobicContact CB-CG 4.11Å; R209-E212 VanDerWaalsContact CD-OE1 3.31Å; R209-E212 WeakPolarHBondContact CD-OE1 3.44Å; R209-E212 PolarHBondContact O-N 2.82Å; R209-D418 IonicContact CZ-OD1 2.94Å; R209-D418 IonicContact NE-OD1 2.6Å; R209-D418 IonicContact NH2-OD1 2.9Å; R209-D418 PolarHBondContact NH2-OD1 3.09Å; R209-E421 IonicContact CZ-OE1 3.15Å; R209-E421 IonicContact CZ-OE2 2.98Å; R209-E421 VanDerWaalsContact NH1-CD 3.3Å; R209-E421 IonicContact NH1-OE1 2.7Å; R209-E421 PolarHBondContact NH1-OE1 3.36Å; R209-E421 IonicContact NH1-OE2 3.72Å; R209-E421 PolarHBondContact NH1-OE2 3.23Å; R209-E421 IonicContact NH2-OE1 2.64Å; R209-E421 IonicContact NH2-OE2 2.76Å; R209-E421 PolarHBondContact NH2-OE2 2.98Å | ||
| 210 | P | 79.2 | Confident | 86.1 | Confident | 110 Ų | 110 | 44.3 Ų | 44.3 | 71% | 0.714 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 127 | 172.3 | -25.4 | 34.6 | 0 | 0 | 0 | 111.3 | E212 | P210-E212 VanDerWaalsContact C-N 3.33Š|
| 211 | K | 78.4 | Confident | 87.5 | Confident | 223 Ų | 223 | 38.1 Ų | 38.1 | 97% | 0.97 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 1.2 | -179.2 | -45.1 | 170.8 | -175.7 | 175.5 | 0 | 116.4 | R209 | R209-K211 PolarHBondContact O-N 2.87Š|
| 212 | E | 82.6 | Confident | 88 | Confident | 101 Ų | 101 | 37.8 Ų | 37.8 | 47% | 0.472 | 19% | 0.187 | S | C | . | . | trans | -88.4 | 145.7 | 170.6 | -70.7 | 176.4 | -165.9 | 0 | 0 | 111.3 | V208 R209 P210 | V208-E212 HydrophobicContact CG1-CB 4.11Å; V208-E212 WeakPolarHBondContact CG1-O 3.35Å; R209-E212 HydrophobicContact CB-CB 4.42Å; R209-E212 HydrophobicContact CB-CG 4.11Å; R209-E212 VanDerWaalsContact CD-OE1 3.31Å; R209-E212 WeakPolarHBondContact CD-OE1 3.44Å; R209-E212 PolarHBondContact O-N 2.82Å; P210-E212 VanDerWaalsContact C-N 3.33Å | ||
| 213 | S | 77.3 | Confident | 87.8 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -107.7 | 3.4 | 175.2 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | L295 | S213-L295 PolarHBondContact O-N 3.23Š|
| 214 | Y | 83 | Confident | 87.7 | Confident | 129 Ų | 129 | 41.9 Ų | 41.9 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.7 | -178.8 | -63.6 | -93.6 | 0 | 0 | 0 | 109.8 | I293 S294 | Y214-I293 CarbonylContact C-O 3.55Å; Y214-I293 WeakPolarHBondContact CA-O 3.46Å; Y214-S294 VanDerWaalsContact CE1-CB 3.48Å |
| 215 | S | 87.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 136.5 | 171.9 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | Y207 T217 S292 I293 | Y207-S215 VanDerWaalsContact O-CB 3.26Å; Y207-S215 WeakPolarHBondContact O-CB 3.45Å; Y207-S215 PolarHBondContact O-OG 3.12Å; S215-T217 PolarHBondContact OG-N 3.19Å; S215-T217 PolarHBondContact OG-O 3.05Å; S215-S292 WeakPolarHBondContact O-CA 3.26Å; S215-I293 PolarHBondContact N-O 3.02Å; S215-I293 PolarHBondContact O-N 2.86Å |
| 216 | D | 90 | Very high | 86.9 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 4.6 | 167 | 68.8 | -14.9 | 0 | 0 | 0 | 112.3 | K288 L289 | D216-K288 VanDerWaalsContact CG-NZ 3.26Å; D216-K288 CarbonylContact O-C 3.59Å; D216-K288 WeakPolarHBondContact O-CA 3.39Å; D216-K288 IonicContact OD1-NZ 2.71Å; D216-K288 PolarHBondContact OD1-NZ 3.02Å; D216-K288 VanDerWaalsContact OD2-CD 3.29Å; D216-K288 WeakPolarHBondContact OD2-CD 3.42Å; D216-K288 IonicContact OD2-NZ 2.76Å; D216-K288 PolarHBondContact OD2-NZ 2.93Å; D216-L289 HydrophobicContact CB-CB 4.48Å; D216-L289 WeakPolarHBondContact O-CB 3.36Å; D216-L289 WeakPolarHBondContact O-CG 3.28Å; D216-L289 PolarHBondContact O-N 3.16Å |
| 217 | T | 92.5 | Very high | 86.3 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114 | -162 | -60 | 0 | 0 | 0 | 0 | 111 | L206 Y207 S215 L219 I286 K288 I417 | L206-T217 CarbonylContact C-O 3.48Å; L206-T217 WeakPolarHBondContact CA-O 3.18Å; Y207-T217 HydrophobicContact CD1-CG2 4.22Å; Y207-T217 PolarHBondContact N-O 2.73Å; S215-T217 PolarHBondContact OG-N 3.19Å; S215-T217 PolarHBondContact OG-O 3.05Å; T217-L219 HydrophobicContact CG2-CD2 4.4Å; T217-I286 HydrophobicContact CG2-CG2 3.93Å; T217-K288 WeakPolarHBondContact OG1-CD 3.49Å; T217-K288 WeakPolarHBondContact OG1-CE 3.4Å; T217-K288 PolarHBondContact OG1-NZ 3.18Å; T217-I417 HydrophobicContact CG2-CG2 4.49Å |
| 218 | V | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.5 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | V188 I190 I205 L206 V235 V287 L289 | V188-V218 HydrophobicContact CG2-CB 4.4Å; V188-V218 HydrophobicContact CG2-CG1 3.55Å; V188-V218 HydrophobicContact CG2-CG2 3.89Å; I190-V218 HydrophobicContact CD1-CG1 4.09Å; I205-V218 WeakPolarHBondContact O-CA 3.43Å; L206-V218 HydrophobicContact CD2-CG2 3.52Å; L206-V218 HydrophobicContact CG-CG2 4.17Å; V218-V235 HydrophobicContact CG2-CG1 4.14Å; V218-V287 HydrophobicContact CB-CB 4.17Å; V218-V287 PolarHBondContact N-O 3.01Å; V218-V287 PolarHBondContact O-N 3.18Å; V218-L289 HydrophobicContact CG2-CD1 4.06Å; V218-L289 HydrophobicContact CG2-CD2 4.48Å; V218-L289 HydrophobicContact CG2-CG 4.36Å |
| 219 | L | 94.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.7 | 171 | -56.8 | -176.9 | 0 | 0 | 0 | 110 | G204 I205 Y207 T217 I286 L304 F385 L413 I417 | G204-L219 VanDerWaalsContact CA-O 3.28Å; G204-L219 WeakPolarHBondContact CA-O 3.47Å; I205-L219 HydrophobicContact CG2-CB 4.18Å; I205-L219 PolarHBondContact N-O 2.77Å; I205-L219 PolarHBondContact O-N 3.39Å; Y207-L219 HydrophobicContact CD2-CD1 3.99Å; Y207-L219 HydrophobicContact CG-CD1 4.04Å; Y207-L219 HydrophobicContact CG-CG 4.45Å; T217-L219 HydrophobicContact CG2-CD2 4.4Å; L219-I286 HydrophobicContact CD2-CG1 3.84Å; L219-L304 HydrophobicContact CD1-CD1 4.17Å; L219-L304 HydrophobicContact CD1-CD2 3.88Å; L219-F385 HydrophobicContact CB-CE1 3.9Å; L219-F385 HydrophobicContact CB-CZ 3.93Å; L219-L413 HydrophobicContact CD1-CD2 4.25Å; L219-L413 HydrophobicContact CD2-CD2 4.29Å; L219-I417 HydrophobicContact CD1-CD1 4.12Å; L219-I417 HydrophobicContact CD2-CD1 3.9Å; L219-I417 HydrophobicContact CD2-CG1 4.22Å |
| 220 | T | 94.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -177.9 | 178.7 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | I190 T203 C224 V225 A285 V287 | I190-T220 HydrophobicContact CD1-CG2 3.52Å; T203-T220 PolarHBondContact O-OG1 3.35Å; T220-C224 HydrophobicContact CG2-CB 4.28Å; T220-V225 HydrophobicContact CG2-CG2 4.24Å; T220-A285 HydrophobicContact CG2-CB 3.87Å; T220-A285 PolarHBondContact N-O 3.15Å; T220-A285 VanDerWaalsContact N-O 3.08Å; T220-A285 PolarHBondContact O-N 2.58Å; T220-V287 HydrophobicContact CG2-CG2 4.22Å |
| 221 | F | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 141.3 | 175.5 | -174.3 | -113.7 | 0 | 0 | 0 | 111.6 | R223 C224 A282 G283 T368 F385 D387 M408 | F221-R223 VanDerWaalsContact C-N 3.28Å; F221-R223 HydrophobicContact CD1-CB 3.66Å; F221-R223 HydrophobicContact CE1-CB 3.62Å; F221-R223 PolarHBondContact O-N 2.91Å; F221-R223 VanDerWaalsContact O-N 3.15Å; F221-C224 VanDerWaalsContact O-CB 3.26Å; F221-C224 WeakPolarHBondContact O-CB 3.03Å; F221-C224 PolarHBondContact O-N 3.28Å; F221-A282 HydrophobicContact CE2-CB 4.06Å; F221-A282 HydrophobicContact CZ-CB 3.74Å; F221-G283 WeakPolarHBondContact CD2-O 2.98Å; F221-G283 WeakPolarHBondContact CE2-O 3.45Å; F221-T368 HydrophobicContact CD1-CG2 3.95Å; F221-F385 HydrophobicContact CB-CB 4.13Å; F221-F385 HydrophobicContact CD2-CB 4.31Å; F221-D387 HydrophobicContact CE1-CB 4.32Å; F221-D387 WeakPolarHBondContact CE1-OD1 3.3Å; F221-D387 HydrophobicContact CE2-CB 4.01Å; F221-D387 HydrophobicContact CZ-CB 3.83Å; F221-D387 VanDerWaalsContact CZ-OD1 3.3Å; F221-D387 WeakPolarHBondContact CZ-OD1 3.35Å; F221-M408 HydrophobicContact CD2-CB 3.88Å; F221-M408 HydrophobicContact CD2-CG 4.22Å; F221-M408 HydrophobicContact CE2-CB 3.51Å; F221-M408 HydrophobicContact CE2-CG 3.86Å |
| 222 | A | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -55.4 | -39.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C224 V225 W226 G283 | A222-C224 PolarHBondContact O-N 3.08Å; A222-V225 PolarHBondContact O-N 3.25Å; A222-W226 HydrophobicContact CB-CE3 4.04Å; A222-W226 HydrophobicContact CB-CZ3 3.98Å; A222-W226 WeakPolarHBondContact O-CA 3.14Å; A222-W226 PolarHBondContact O-N 3.25Å; A222-G283 PolarHBondContact N-O 2.88Å |
| 223 | R | 85.5 | Confident | 87.2 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -58.5 | -28.4 | 179.9 | -175.3 | 170.4 | 58.8 | -162.1 | -10.6 | 113.5 | F221 V225 D387 | F221-R223 VanDerWaalsContact C-N 3.28Å; F221-R223 HydrophobicContact CD1-CB 3.66Å; F221-R223 HydrophobicContact CE1-CB 3.62Å; F221-R223 PolarHBondContact O-N 2.91Å; F221-R223 VanDerWaalsContact O-N 3.15Å; R223-V225 VanDerWaalsContact C-N 3.29Å; R223-V225 PolarHBondContact O-N 2.7Å; R223-D387 IonicContact CZ-OD1 2.78Å; R223-D387 IonicContact NH1-OD1 3.21Å; R223-D387 PolarHBondContact NH2-O 2.81Å; R223-D387 IonicContact NH2-OD1 3.4Å; R223-D387 PolarHBondContact NH2-OD1 3.13Å |
| 224 | C | 89.3 | Confident | 87.6 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 10% | 0.095 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -65.8 | -29.6 | -178.2 | -65.1 | 0 | 0 | 0 | 0 | 114 | C202 T220 F221 A222 Y233 | C202-C224 HydrophobicContact CB-CB 3.44Å; C202-C224 VanDerWaalsContact CB-CB 3.44Å; C202-C224 WeakPolarHBondContact CB-SG 3.13Å; C202-C224 VanDerWaalsContact SG-CA 3.5Å; C202-C224 WeakPolarHBondContact SG-CB 3.28Å; C202-C224 CovalentContact SG-SG 2.03Å; C202-C224 PolarHBondContact SG-SG 2.64Å; T220-C224 HydrophobicContact CG2-CB 4.28Å; F221-C224 VanDerWaalsContact O-CB 3.26Å; F221-C224 WeakPolarHBondContact O-CB 3.03Å; F221-C224 PolarHBondContact O-N 3.28Å; A222-C224 PolarHBondContact O-N 3.08Å; C224-Y233 WeakPolarHBondContact O-CE1 3.22Å |
| 225 | V | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -132.7 | 28.4 | -174.4 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | I190 T220 A222 R223 S227 R228 Y233 I265 T267 A285 V287 | I190-V225 HydrophobicContact CD1-CG1 4.49Å; I190-V225 HydrophobicContact CG2-CG1 3.8Å; T220-V225 HydrophobicContact CG2-CG2 4.24Å; A222-V225 PolarHBondContact O-N 3.25Å; R223-V225 VanDerWaalsContact C-N 3.29Å; R223-V225 PolarHBondContact O-N 2.7Å; V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-S227 VanDerWaalsContact O-N 3.14Å; V225-R228 PolarHBondContact O-N 3.05Å; V225-Y233 HydrophobicContact CB-CE2 4.38Å; V225-Y233 HydrophobicContact CG1-CD1 4.21Å; V225-Y233 HydrophobicContact CG1-CD2 4.5Å; V225-Y233 HydrophobicContact CG1-CE1 4.25Å; V225-Y233 HydrophobicContact CG1-CG 4.33Å; V225-I265 HydrophobicContact CB-CD1 4.19Å; V225-I265 HydrophobicContact CB-CG2 3.85Å; V225-I265 HydrophobicContact CG2-CG2 3.61Å; V225-T267 HydrophobicContact CG2-CG2 4.08Å; V225-A285 HydrophobicContact CG2-CB 3.44Å; V225-A285 VanDerWaalsContact CG2-CB 3.44Å; V225-V287 HydrophobicContact CB-CG2 4.36Å; V225-V287 HydrophobicContact CG1-CG2 3.91Å; V225-V287 HydrophobicContact CG2-CG2 3.9Å |
| 226 | W | 81.4 | Confident | 87.7 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -35.5 | -167.6 | -170.8 | -97.6 | 0 | 0 | 0 | 114.3 | A222 R228 P269 Y271 A281 | A222-W226 HydrophobicContact CB-CE3 4.04Å; A222-W226 HydrophobicContact CB-CZ3 3.98Å; A222-W226 WeakPolarHBondContact O-CA 3.14Å; A222-W226 PolarHBondContact O-N 3.25Å; W226-R228 PolarHBondContact O-N 2.86Å; W226-P269 HydrophobicContact CH2-CB 3.32Å; W226-P269 HydrophobicContact CH2-CG 4.46Å; W226-P269 HydrophobicContact CZ2-CB 4.34Å; W226-P269 HydrophobicContact CZ3-CB 3.64Å; W226-Y271 AromaticContact CH2-CE1 3.73Å; W226-Y271 HydrophobicContact CH2-CE1 3.73Å; W226-Y271 AromaticContact CH2-CZ 3.92Å; W226-Y271 AromaticContact CZ2-CE1 3.65Å; W226-Y271 HydrophobicContact CZ2-CE1 3.65Å; W226-Y271 AromaticContact CZ2-CZ 3.81Å; W226-Y271 WeakPolarHBondContact CZ2-OH 3.1Å; W226-A281 HydrophobicContact CD2-CB 4.23Å; W226-A281 HydrophobicContact CE3-CB 4.03Å; W226-A281 HydrophobicContact CH2-CB 3.39Å; W226-A281 HydrophobicContact CZ2-CB 3.66Å; W226-A281 HydrophobicContact CZ3-CB 3.62Å |
| 227 | S | 77.9 | Confident | 86.9 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 41% | 0.413 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.4 | -179.6 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | V225 Y229 Y233 | V225-S227 VanDerWaalsContact C-N 3.26Å; V225-S227 PolarHBondContact O-N 2.9Å; V225-S227 VanDerWaalsContact O-N 3.14Å; S227-Y229 PolarHBondContact O-N 3.17Å; S227-Y229 PolarHBondContact OG-N 3.24Å; S227-Y233 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y233 PolarHBondContact OG-OH 3.38Å; S227-Y233 VanDerWaalsContact OG-OH 3.11Å |
| 228 | R | 83.3 | Confident | 85.5 | Confident | 118 Ų | 118 | 45.4 Ų | 45.4 | 45% | 0.445 | 21% | 0.207 | S | C | . | . | trans | 54.4 | 2 | -173 | -55 | 179.6 | 178.9 | 172 | -2.4 | 115.6 | V225 W226 T230 I265 T267 | V225-R228 PolarHBondContact O-N 3.05Å; W226-R228 PolarHBondContact O-N 2.86Å; R228-T230 PolarHBondContact O-N 3.49Å; R228-I265 HydrophobicContact CB-CB 4.26Å; R228-I265 HydrophobicContact CB-CG2 4.29Å; R228-I265 HydrophobicContact CG-CG2 4.11Å; R228-T267 HydrophobicContact CG-CG2 4.28Å; R228-T267 VanDerWaalsContact CZ-OG1 3.32Å; R228-T267 PolarHBondContact NE-OG1 2.99Å; R228-T267 PolarHBondContact NH2-O 3.5Å; R228-T267 PolarHBondContact NH2-OG1 2.03Å | ||
| 229 | Y | 85.5 | Confident | 83.4 | Confident | 135 Ų | 135 | 50 Ų | 50 | 53% | 0.529 | 24% | 0.235 | S | C | . | . | trans | -77.1 | 95 | -176.2 | -179.6 | -138.5 | 0 | 0 | 0 | 110.1 | S227 R231 K232 Y233 | S227-Y229 PolarHBondContact O-N 3.17Å; S227-Y229 PolarHBondContact OG-N 3.24Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 HydrophobicContact CE1-CB 4.27Å; Y229-R231 HydrophobicContact CE2-CB 3.98Å; Y229-R231 HydrophobicContact CE2-CG 4.27Å; Y229-R231 PolarHBondContact O-N 3.48Å; Y229-R231 VanDerWaalsContact O-N 3.12Å; Y229-K232 HydrophobicContact CD1-CB 3.73Å; Y229-K232 HydrophobicContact CE1-CB 4.43Å; Y229-K232 HydrophobicContact CG-CB 4.36Å; Y229-K232 WeakPolarHBondContact O-CB 2.92Å; Y229-K232 PolarHBondContact O-N 3.06Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.4Å | ||
| 230 | T | 88.2 | Confident | 81.2 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -52.9 | -39.9 | -168.8 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | R228 K232 Y233 V262 I265 | R228-T230 PolarHBondContact O-N 3.49Å; T230-K232 PolarHBondContact O-N 3.31Å; T230-Y233 PolarHBondContact O-N 3.41Å; T230-V262 WeakPolarHBondContact CB-O 3.36Å; T230-V262 HydrophobicContact CG2-CG1 4.03Å; T230-I265 HydrophobicContact CG2-CD1 4.35Å; T230-I265 HydrophobicContact CG2-CG1 4.34Å |
| 231 | R | 85.6 | Confident | 78.7 | Confident | 198 Ų | 198 | 52.8 Ų | 52.8 | 75% | 0.747 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -63.9 | -19.5 | 178.8 | -63.9 | -176.4 | 176.7 | -172.9 | -0.8 | 114.4 | Y229 Y233 | Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 HydrophobicContact CE1-CB 4.27Å; Y229-R231 HydrophobicContact CE2-CB 3.98Å; Y229-R231 HydrophobicContact CE2-CG 4.27Å; Y229-R231 PolarHBondContact O-N 3.48Å; Y229-R231 VanDerWaalsContact O-N 3.12Å; R231-Y233 VanDerWaalsContact C-N 3.28Å |
| 232 | K | 84.1 | Confident | 76.2 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -76.4 | -13.1 | 175 | 178.8 | 171.8 | 144.1 | 89.4 | 0 | 112.4 | D192 L193 S194 Y229 T230 | D192-K232 CarbonylContact C-O 3.48Å; D192-K232 VanDerWaalsContact CG-NZ 3.27Å; D192-K232 WeakPolarHBondContact OD1-CG 3.38Å; D192-K232 IonicContact OD1-NZ 2.71Å; D192-K232 PolarHBondContact OD1-NZ 2.98Å; D192-K232 VanDerWaalsContact OD1-NZ 3.15Å; D192-K232 WeakPolarHBondContact OD2-CE 3.37Å; D192-K232 IonicContact OD2-NZ 3.57Å; D192-K232 PolarHBondContact OD2-NZ 2.89Å; L193-K232 PolarHBondContact N-O 2.9Å; S194-K232 WeakPolarHBondContact OG-CD 3.3Å; S194-K232 WeakPolarHBondContact OG-CG 3.4Å; S194-K232 PolarHBondContact OG-NZ 3.24Å; Y229-K232 HydrophobicContact CD1-CB 3.73Å; Y229-K232 HydrophobicContact CE1-CB 4.43Å; Y229-K232 HydrophobicContact CG-CB 4.36Å; Y229-K232 WeakPolarHBondContact O-CB 2.92Å; Y229-K232 PolarHBondContact O-N 3.06Å; T230-K232 PolarHBondContact O-N 3.31Å |
| 233 | Y | 87.4 | Confident | 73.9 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.5 | -172.2 | -59.4 | -74.5 | 0 | 0 | 0 | 113.3 | I190 V191 D192 C224 V225 S227 Y229 T230 R231 I265 | I190-Y233 HydrophobicContact CG2-CD1 4.25Å; V191-Y233 WeakPolarHBondContact O-CA 3.36Å; D192-Y233 HydrophobicContact CB-CD1 4.34Å; D192-Y233 HydrophobicContact CB-CE1 4.07Å; C224-Y233 WeakPolarHBondContact O-CE1 3.22Å; V225-Y233 HydrophobicContact CB-CE2 4.38Å; V225-Y233 HydrophobicContact CG1-CD1 4.21Å; V225-Y233 HydrophobicContact CG1-CD2 4.5Å; V225-Y233 HydrophobicContact CG1-CE1 4.25Å; V225-Y233 HydrophobicContact CG1-CG 4.33Å; S227-Y233 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y233 PolarHBondContact OG-OH 3.38Å; S227-Y233 VanDerWaalsContact OG-OH 3.11Å; Y229-Y233 WeakPolarHBondContact O-CD2 3.4Å; T230-Y233 PolarHBondContact O-N 3.41Å; R231-Y233 VanDerWaalsContact C-N 3.28Å; Y233-I265 HydrophobicContact CD2-CD1 3.51Å; Y233-I265 HydrophobicContact CE2-CD1 3.93Å; Y233-I265 HydrophobicContact CG-CD1 4.41Å |
| 234 | K | 86.7 | Confident | 71.9 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.2 | 164.9 | -65.7 | -67.3 | -177.6 | 178.3 | 0 | 109.5 | V191 L193 Y236 | V191-K234 PolarHBondContact N-O 3.17Å; V191-K234 PolarHBondContact O-N 3.44Å; V191-K234 VanDerWaalsContact O-N 3.07Å; L193-K234 HydrophobicContact CD1-CG 3.67Å; L193-K234 HydrophobicContact CD2-CG 4.13Å; L193-K234 HydrophobicContact CG-CG 4.07Å; K234-Y236 HydrophobicContact CB-CE2 3.91Å |
| 235 | V | 88.7 | Confident | 69.8 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.2 | 176 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | V188 Q189 I190 V218 V237 A259 V260 V262 V287 L289 | V188-V235 HydrophobicContact CB-CG1 3.72Å; V188-V235 HydrophobicContact CG1-CG1 4.13Å; V188-V235 HydrophobicContact CG2-CG1 3.86Å; Q189-V235 CarbonylContact O-C 3.44Å; Q189-V235 WeakPolarHBondContact O-CA 3.21Å; I190-V235 HydrophobicContact CG1-CG2 4.23Å; V218-V235 HydrophobicContact CG2-CG1 4.14Å; V235-V237 HydrophobicContact CG1-CG2 4.39Å; V235-A259 CarbonylContact O-C 3.59Å; V235-V260 PolarHBondContact N-O 2.04Å; V235-V260 PolarHBondContact O-N 2.91Å; V235-V262 HydrophobicContact CG2-CG2 4Å; V235-V287 HydrophobicContact CG2-CG1 4.24Å; V235-L289 HydrophobicContact CB-CD2 3.72Å; V235-L289 HydrophobicContact CG1-CD2 4.23Å; V235-L289 HydrophobicContact CG2-CD2 3.6Å |
| 236 | Y | 82.8 | Confident | 67.6 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.8 | 178.1 | -67.4 | -97.4 | 0 | 0 | 0 | 110.1 | V188 Q189 V191 K234 M241 I249 A259 | V188-Y236 CarbonylContact C-O 3.54Å; V188-Y236 VanDerWaalsContact CA-O 3.28Å; V188-Y236 WeakPolarHBondContact CA-O 3.48Å; V188-Y236 VanDerWaalsContact CB-O 3.3Å; V188-Y236 WeakPolarHBondContact CB-O 3.41Å; Q189-Y236 PolarHBondContact N-O 2.85Å; Q189-Y236 PolarHBondContact O-N 2.82Å; V191-Y236 HydrophobicContact CB-CD2 4.37Å; V191-Y236 HydrophobicContact CB-CE2 4.03Å; V191-Y236 HydrophobicContact CG2-CD2 3.77Å; V191-Y236 HydrophobicContact CG2-CE2 3.8Å; K234-Y236 HydrophobicContact CB-CE2 3.91Å; Y236-M241 HydrophobicContact CD1-CE 3.38Å; Y236-M241 HydrophobicContact CD2-CE 3.3Å; Y236-M241 HydrophobicContact CE1-CE 3.63Å; Y236-M241 HydrophobicContact CE2-CE 3.58Å; Y236-M241 HydrophobicContact CG-CE 3.19Å; Y236-I249 HydrophobicContact CE1-CD1 3.89Å; Y236-A259 HydrophobicContact CD1-CB 3.93Å; Y236-A259 HydrophobicContact CE1-CB 3.5Å; Y236-A259 VanDerWaalsContact CE1-CB 3.5Å; Y236-A259 HydrophobicContact CE2-CB 4.49Å |
| 237 | V | 74.8 | Confident | 65.8 | Low | 28 Ų | 28 | 68.1 Ų | 68.1 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.4 | -167 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | V188 L206 V235 M258 V260 I293 | V188-V237 HydrophobicContact CG1-CB 4.38Å; V188-V237 HydrophobicContact CG1-CG1 4.29Å; V188-V237 HydrophobicContact CG1-CG2 4Å; L206-V237 HydrophobicContact CD1-CG1 4.04Å; V235-V237 HydrophobicContact CG1-CG2 4.39Å; V237-M258 PolarHBondContact N-O 2.92Å; V237-V260 HydrophobicContact CG2-CG2 3.97Å; V237-I293 HydrophobicContact CB-CD1 4.39Å; V237-I293 HydrophobicContact CG1-CD1 4.14Å; V237-I293 HydrophobicContact CG1-CG1 4.42Å; V237-I293 HydrophobicContact CG1-CG2 3.83Å; V237-I293 HydrophobicContact CG2-CD1 3.43Å; V237-I293 VanDerWaalsContact CG2-CD1 3.43Å; V237-I293 HydrophobicContact CG2-CG1 4.13Å |
| 238 | G | 61.5 | Low | 64.1 | Low | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 100.6 | 162.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 239 | T | 51 | Low | 62.4 | Low | 97 Ų | 97 | 67.4 Ų | 67.4 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.6 | 135.5 | -173.6 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | V328 | T239-V328 HydrophobicContact CG2-CG2 4.08Š|
| 240 | A | 46.8 | Very low | 60.6 | Low | 23 Ų | 23 | 68.7 Ų | 68.7 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | trans | 63.1 | 89.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | T242 H326 | A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 3.09Å; A240-H326 WeakPolarHBondContact CA-O 3.4Å; A240-H326 VanDerWaalsContact CB-C 3.44Å; A240-H326 HydrophobicContact CB-CB 3.53Å; A240-H326 WeakPolarHBondContact CB-O 3.5Å; A240-H326 PolarHBondContact N-O 2.87Å | ||
| 241 | M | 42.6 | Very low | 58.5 | Low | 34 Ų | 34 | 75.7 Ų | 75.7 | 17% | 0.167 | 38% | 0.382 | C | S | . | . | trans | -62.1 | 96.7 | 149.7 | -75.6 | -159.8 | -172.5 | 0 | 0 | 108.8 | V191 Y236 I249 H326 | V191-M241 HydrophobicContact CG2-CE 4.19Å; Y236-M241 HydrophobicContact CD1-CE 3.38Å; Y236-M241 HydrophobicContact CD2-CE 3.3Å; Y236-M241 HydrophobicContact CE1-CE 3.63Å; Y236-M241 HydrophobicContact CE2-CE 3.58Å; Y236-M241 HydrophobicContact CG-CE 3.19Å; M241-I249 HydrophobicContact CE-CD1 3.7Å; M241-I249 HydrophobicContact CG-CD1 4.27Å; M241-I249 HydrophobicContact SD-CD1 3.67Å; M241-H326 WeakPolarHBondContact O-CB 3.43Å; M241-H326 PolarHBondContact O-CD2 3.05Å; M241-H326 PolarHBondContact O-CE1 2.9Å; M241-H326 VanDerWaalsContact O-CE1 3.25Å; M241-H326 PolarHBondContact O-ND1 2.92Å; M241-H326 PolarHBondContact O-NE2 2.81Å | ||
| 242 | T | 39.6 | Very low | 56.3 | Low | 54 Ų | 54 | 69.5 Ų | 69.5 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -59.5 | 155.8 | 170.1 | 71.6 | 0 | 0 | 0 | 0 | 109.9 | A240 E244 H245 A246 | A240-T242 VanDerWaalsContact C-N 3.33Å; A240-T242 PolarHBondContact O-N 3.09Å; T242-E244 PolarHBondContact O-N 2.76Å; T242-H245 CarbonylContact O-C 3.6Å; T242-H245 WeakPolarHBondContact O-CA 3.35Å; T242-H245 WeakPolarHBondContact O-CB 3.44Å; T242-H245 PolarHBondContact O-N 3.02Å; T242-H245 PolarHBondContact OG1-N 3.16Å; T242-H245 PolarHBondContact OG1-ND1 2.93Å; T242-A246 PolarHBondContact O-N 3.05Å | ||
| 243 | T | 41.3 | Very low | 54.5 | Low | 108 Ų | 108 | 73 Ų | 73 | 66% | 0.663 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.8 | -36.1 | 175.6 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | A246 A247 | T243-A246 PolarHBondContact O-N 3.36Å; T243-A247 WeakPolarHBondContact O-CB 3.36Å; T243-A247 PolarHBondContact O-N 3.07Å |
| 244 | E | 43.5 | Very low | 52.1 | Low | 154 Ų | 154 | 82.5 Ų | 82.5 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 168.6 | -95.3 | -171.2 | 137.3 | 0 | 0 | 112.9 | T242 A247 K248 | T242-E244 PolarHBondContact O-N 2.76Å; E244-A247 PolarHBondContact O-N 2.94Å; E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 2.91Å |
| 245 | H | 44.6 | Very low | 49.9 | Very low | 101 Ų | 101 | 83.4 Ų | 83.4 | 47% | 0.468 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 175.6 | -76.4 | 82.4 | 0 | 0 | 0 | 112.1 | T242 A247 K248 I249 | T242-H245 CarbonylContact O-C 3.6Å; T242-H245 WeakPolarHBondContact O-CA 3.35Å; T242-H245 WeakPolarHBondContact O-CB 3.44Å; T242-H245 PolarHBondContact O-N 3.02Å; T242-H245 PolarHBondContact OG1-N 3.16Å; T242-H245 PolarHBondContact OG1-ND1 2.93Å; H245-A247 PolarHBondContact O-N 2.86Å; H245-K248 PolarHBondContact O-N 3.44Å; H245-I249 VanDerWaalsContact O-CB 3.25Å; H245-I249 WeakPolarHBondContact O-CB 3.39Å; H245-I249 WeakPolarHBondContact O-CD1 3.47Å; H245-I249 WeakPolarHBondContact O-CG1 3.44Å; H245-I249 PolarHBondContact O-N 3.08Å |
| 246 | A | 42.5 | Very low | 47.6 | Very low | 31 Ų | 31 | 88.6 Ų | 88.6 | 26% | 0.256 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T242 T243 | T242-A246 PolarHBondContact O-N 3.05Å; T243-A246 PolarHBondContact O-N 3.36Å |
| 247 | A | 43.2 | Very low | 46 | Very low | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -35.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T243 E244 H245 R250 | T243-A247 WeakPolarHBondContact O-CB 3.36Å; T243-A247 PolarHBondContact O-N 3.07Å; E244-A247 PolarHBondContact O-N 2.94Å; H245-A247 PolarHBondContact O-N 2.86Å; A247-R250 WeakPolarHBondContact O-CB 3.49Å; A247-R250 PolarHBondContact O-N 2.9Å |
| 248 | K | 43.1 | Very low | 45.4 | Very low | 120 Ų | 120 | 96.6 Ų | 96.6 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.9 | -35.6 | 178.3 | -169.5 | 171.6 | -178.7 | 179.5 | 0 | 112.2 | E244 H245 R250 K251 D252 | E244-K248 WeakPolarHBondContact O-CB 3.45Å; E244-K248 PolarHBondContact O-N 2.91Å; H245-K248 PolarHBondContact O-N 3.44Å; K248-R250 PolarHBondContact O-N 2.81Å; K248-K251 CarbonylContact O-C 3.6Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 PolarHBondContact O-N 2.82Å; K248-D252 WeakPolarHBondContact CE-OD2 3.43Å; K248-D252 HydrophobicContact CG-CB 4.44Å; K248-D252 VanDerWaalsContact CG-OD2 3.27Å; K248-D252 WeakPolarHBondContact CG-OD2 3.46Å; K248-D252 WeakPolarHBondContact O-CB 3.19Å; K248-D252 PolarHBondContact O-N 3.25Å |
| 249 | I | 47.9 | Very low | 46.1 | Very low | 42 Ų | 42 | 96.2 Ų | 96.2 | 22% | 0.215 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -57.6 | -35.2 | 172 | -76.1 | 162.6 | 0 | 0 | 0 | 110.7 | Y236 M241 H245 K251 D252 I253 | Y236-I249 HydrophobicContact CE1-CD1 3.89Å; M241-I249 HydrophobicContact CE-CD1 3.7Å; M241-I249 HydrophobicContact CG-CD1 4.27Å; M241-I249 HydrophobicContact SD-CD1 3.67Å; H245-I249 VanDerWaalsContact O-CB 3.25Å; H245-I249 WeakPolarHBondContact O-CB 3.39Å; H245-I249 WeakPolarHBondContact O-CD1 3.47Å; H245-I249 WeakPolarHBondContact O-CG1 3.44Å; H245-I249 PolarHBondContact O-N 3.08Å; I249-K251 PolarHBondContact O-N 2.84Å; I249-D252 PolarHBondContact O-N 2.88Å; I249-I253 HydrophobicContact CG2-CG1 4.36Å; I249-I253 WeakPolarHBondContact O-CD1 3.18Å; I249-I253 VanDerWaalsContact O-CG1 3.28Å; I249-I253 WeakPolarHBondContact O-CG1 3.08Å; I249-I253 PolarHBondContact O-N 2.89Å |
| 250 | R | 45.8 | Very low | 47.7 | Very low | 162 Ų | 162 | 92.5 Ų | 92.5 | 61% | 0.611 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.5 | -22.7 | 171.7 | -79.3 | 179.8 | 164.1 | 144.1 | -10.3 | 114.3 | T196 A247 K248 | T196-R250 PolarHBondContact O-NH2 3.31Å; A247-R250 WeakPolarHBondContact O-CB 3.49Å; A247-R250 PolarHBondContact O-N 2.9Å; K248-R250 PolarHBondContact O-N 2.81Å |
| 251 | K | 44.3 | Very low | 49.7 | Very low | 188 Ų | 188 | 92.6 Ų | 92.6 | 82% | 0.817 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -100.1 | -36.2 | 173.5 | -78.1 | -175.4 | 171.7 | -179.5 | 0 | 113.2 | K248 I249 | K248-K251 CarbonylContact O-C 3.6Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 PolarHBondContact O-N 2.82Å; I249-K251 PolarHBondContact O-N 2.84Å |
| 252 | D | 40.9 | Very low | 52.1 | Low | 68 Ų | 68 | 91.1 Ų | 91.1 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -107.2 | 32.9 | -167.6 | -70.5 | -18.4 | 0 | 0 | 0 | 113.8 | K248 I249 K254 S255 | K248-D252 WeakPolarHBondContact CE-OD2 3.43Å; K248-D252 HydrophobicContact CG-CB 4.44Å; K248-D252 VanDerWaalsContact CG-OD2 3.27Å; K248-D252 WeakPolarHBondContact CG-OD2 3.46Å; K248-D252 WeakPolarHBondContact O-CB 3.19Å; K248-D252 PolarHBondContact O-N 3.25Å; I249-D252 PolarHBondContact O-N 2.88Å; D252-K254 PolarHBondContact O-N 3.28Å; D252-S255 PolarHBondContact O-N 3.15Å |
| 253 | I | 45.9 | Very low | 54.6 | Low | 120 Ų | 120 | 94 Ų | 94 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8.9 | 168.1 | -86 | 150.5 | 0 | 0 | 0 | 113.2 | I249 | I249-I253 HydrophobicContact CG2-CG1 4.36Å; I249-I253 WeakPolarHBondContact O-CD1 3.18Å; I249-I253 VanDerWaalsContact O-CG1 3.28Å; I249-I253 WeakPolarHBondContact O-CG1 3.08Å; I249-I253 PolarHBondContact O-N 2.89Å |
| 254 | K | 37.4 | Very low | 57 | Low | 208 Ų | 208 | 90.8 Ų | 90.8 | 90% | 0.904 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3.2 | 169.8 | -71.7 | -176 | 174.1 | -179.4 | 0 | 115.4 | D252 | D252-K254 PolarHBondContact O-N 3.28Š|
| 255 | S | 39.3 | Very low | 59.2 | Low | 83 Ų | 83 | 84.2 Ų | 84.2 | 58% | 0.58 | 45% | 0.447 | S | S | * | . | trans | -104 | 84.8 | -178.8 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | D252 S257 | D252-S255 PolarHBondContact O-N 3.15Å; S255-S257 PolarHBondContact O-N 3.05Å | ||
| 256 | S | 41.1 | Very low | 61.3 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 76% | 0.762 | 44% | 0.436 | S | S | * | . | trans | -88.5 | 90.5 | -170.5 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 257 | S | 48.1 | Very low | 63.3 | Low | 108 Ų | 108 | 80.4 Ų | 80.4 | 76% | 0.755 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -122.1 | -19.4 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | S255 | S255-S257 PolarHBondContact O-N 3.05Š|
| 258 | M | 63 | Low | 65.2 | Low | 117 Ų | 117 | 79.5 Ų | 79.5 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -134.1 | -6.2 | 177.6 | -79.3 | -177.9 | 148.2 | 0 | 0 | 115.4 | V237 | V237-M258 PolarHBondContact N-O 2.92Š|
| 259 | A | 75.9 | Confident | 66.4 | Low | 32 Ų | 32 | 76 Ų | 76 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V235 Y236 | V235-A259 CarbonylContact O-C 3.59Å; Y236-A259 HydrophobicContact CD1-CB 3.93Å; Y236-A259 HydrophobicContact CE1-CB 3.5Å; Y236-A259 VanDerWaalsContact CE1-CB 3.5Å; Y236-A259 HydrophobicContact CE2-CB 4.49Å |
| 260 | V | 85.4 | Confident | 67.4 | Low | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.3 | 176 | -164.3 | 0 | 0 | 0 | 0 | 109.5 | V235 V237 L289 H291 I293 | V235-V260 PolarHBondContact N-O 2.04Å; V235-V260 PolarHBondContact O-N 2.91Å; V237-V260 HydrophobicContact CG2-CG2 3.97Å; V260-L289 HydrophobicContact CB-CD1 4.24Å; V260-L289 HydrophobicContact CB-CD2 4.46Å; V260-L289 HydrophobicContact CG1-CB 3.81Å; V260-L289 HydrophobicContact CG1-CD1 4.11Å; V260-L289 HydrophobicContact CG1-CD2 4.42Å; V260-L289 HydrophobicContact CG1-CG 4.34Å; V260-H291 HydrophobicContact CG1-CB 4.07Å; V260-I293 HydrophobicContact CG2-CD1 4.21Å; V260-I293 HydrophobicContact CG2-CG1 4.22Å |
| 261 | P | 89.2 | Confident | 68.4 | Low | 25 Ų | 25 | 74.9 Ų | 74.9 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 154.9 | 173.3 | -16.5 | 30.3 | 0 | 0 | 0 | 112.4 | L289 E290 | P261-L289 WeakPolarHBondContact O-CA 2.95Å; P261-E290 HydrophobicContact CB-CB 4.32Å; P261-E290 VanDerWaalsContact CB-CD 3.46Å; P261-E290 HydrophobicContact CB-CG 4.01Å; P261-E290 VanDerWaalsContact CB-OE2 3.26Å; P261-E290 WeakPolarHBondContact CB-OE2 2.96Å; P261-E290 WeakPolarHBondContact CG-OE2 3.47Å; P261-E290 PolarHBondContact O-N 2.89Å |
| 262 | V | 91.4 | Very high | 69.3 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.1 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 110 | T230 V235 I265 V287 L289 | T230-V262 WeakPolarHBondContact CB-O 3.36Å; T230-V262 HydrophobicContact CG2-CG1 4.03Å; V235-V262 HydrophobicContact CG2-CG2 4Å; V262-I265 HydrophobicContact CG1-CD1 3.98Å; V262-I265 HydrophobicContact CG1-CG1 3.56Å; V262-V287 HydrophobicContact CB-CG1 4.29Å; V262-V287 HydrophobicContact CG1-CG1 3.61Å; V262-V287 HydrophobicContact CG2-CG1 3.7Å; V262-L289 HydrophobicContact CG2-CD2 4.49Å |
| 263 | K | 92.8 | Very high | 70.3 | Confident | 113 Ų | 113 | 68.2 Ų | 68.2 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -46.3 | 176.2 | 178.6 | 179.2 | 176.5 | -178.5 | 0 | 111.9 | K288 L289 E290 | K263-K288 WeakPolarHBondContact CB-O 3.37Å; K263-K288 PolarHBondContact N-O 2.88Å; K263-L289 WeakPolarHBondContact CB-O 3.33Å; K263-E290 HydrophobicContact CB-CG 3.92Å |
| 264 | S | 91.8 | Very high | 70.9 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 156.6 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 112 | K288 | S264-K288 PolarHBondContact N-O 2.6Å; S264-K288 PolarHBondContact O-N 3.09Å; S264-K288 WeakPolarHBondContact OG-CB 3.39Å |
| 265 | I | 89.6 | Confident | 71.6 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.4 | 178.2 | -63.2 | 163.4 | 0 | 0 | 0 | 108 | V225 R228 T230 Y233 V262 T267 V287 | V225-I265 HydrophobicContact CB-CD1 4.19Å; V225-I265 HydrophobicContact CB-CG2 3.85Å; V225-I265 HydrophobicContact CG2-CG2 3.61Å; R228-I265 HydrophobicContact CB-CB 4.26Å; R228-I265 HydrophobicContact CB-CG2 4.29Å; R228-I265 HydrophobicContact CG-CG2 4.11Å; T230-I265 HydrophobicContact CG2-CD1 4.35Å; T230-I265 HydrophobicContact CG2-CG1 4.34Å; Y233-I265 HydrophobicContact CD2-CD1 3.51Å; Y233-I265 HydrophobicContact CE2-CD1 3.93Å; Y233-I265 HydrophobicContact CG-CD1 4.41Å; V262-I265 HydrophobicContact CG1-CD1 3.98Å; V262-I265 HydrophobicContact CG1-CG1 3.56Å; I265-T267 HydrophobicContact CG2-CG2 4.01Å; I265-V287 HydrophobicContact CG1-CG1 4.45Å; I265-V287 HydrophobicContact CG1-CG2 4.46Å |
| 266 | L | 88.6 | Confident | 71.9 | Confident | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.2 | 169.7 | -173.6 | 58.5 | 0 | 0 | 0 | 108.6 | F268 A285 I286 T420 | L266-F268 HydrophobicContact CD1-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE1 3.84Å; L266-F268 HydrophobicContact CD2-CE2 4.24Å; L266-F268 HydrophobicContact CD2-CZ 3.35Å; L266-F268 HydrophobicContact CG-CE1 3.91Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 3.58Å; L266-A285 CarbonylContact O-C 3.56Å; L266-A285 VanDerWaalsContact O-CA 3.29Å; L266-A285 WeakPolarHBondContact O-CA 3.26Å; L266-I286 PolarHBondContact N-O 3.31Å; L266-I286 PolarHBondContact O-N 2.98Å; L266-T420 HydrophobicContact CD2-CG2 4.15Å; L266-T420 WeakPolarHBondContact CD2-OG1 3.3Å |
| 267 | T | 84.3 | Confident | 72.1 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.2 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | V225 R228 I265 P269 A285 | V225-T267 HydrophobicContact CG2-CG2 4.08Å; R228-T267 HydrophobicContact CG-CG2 4.28Å; R228-T267 VanDerWaalsContact CZ-OG1 3.32Å; R228-T267 PolarHBondContact NE-OG1 2.99Å; R228-T267 PolarHBondContact NH2-O 3.5Å; R228-T267 PolarHBondContact NH2-OG1 2.03Å; I265-T267 HydrophobicContact CG2-CG2 4.01Å; T267-P269 VanDerWaalsContact C-CD 3.47Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å; T267-A285 HydrophobicContact CG2-CB 3.94Å |
| 268 | F | 82.4 | Confident | 72.4 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 80.8 | 175 | -55.6 | -70.9 | 0 | 0 | 0 | 108.7 | L266 G283 A284 I286 L413 K416 | L266-F268 HydrophobicContact CD1-CE1 4.48Å; L266-F268 HydrophobicContact CD2-CE1 3.84Å; L266-F268 HydrophobicContact CD2-CE2 4.24Å; L266-F268 HydrophobicContact CD2-CZ 3.35Å; L266-F268 HydrophobicContact CG-CE1 3.91Å; L266-F268 HydrophobicContact CG-CE2 4.17Å; L266-F268 HydrophobicContact CG-CZ 3.58Å; F268-G283 WeakPolarHBondContact O-CA 3.12Å; F268-A284 HydrophobicContact CD2-CB 4.44Å; F268-A284 PolarHBondContact N-O 3.34Å; F268-A284 PolarHBondContact O-N 2.94Å; F268-I286 HydrophobicContact CE2-CD1 3.64Å; F268-I286 HydrophobicContact CE2-CG1 4Å; F268-I286 HydrophobicContact CZ-CD1 4.12Å; F268-L413 HydrophobicContact CD2-CD1 3.89Å; F268-L413 HydrophobicContact CE2-CD1 3.9Å; F268-K416 HydrophobicContact CD1-CD 3.79Å; F268-K416 HydrophobicContact CD2-CD 4.12Å; F268-K416 HydrophobicContact CE1-CB 4.09Å; F268-K416 HydrophobicContact CE1-CD 3.75Å; F268-K416 HydrophobicContact CE1-CG 4.18Å; F268-K416 HydrophobicContact CE2-CB 3.94Å; F268-K416 HydrophobicContact CE2-CD 4.08Å; F268-K416 HydrophobicContact CG-CD 3.96Å; F268-K416 HydrophobicContact CZ-CB 3.56Å; F268-K416 HydrophobicContact CZ-CD 3.9Å; F268-K416 HydrophobicContact CZ-CG 4.15Å |
| 269 | P | 69.9 | Low | 72 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.1 | -175.3 | 30.1 | -37.4 | 0 | 0 | 0 | 111.8 | W226 T267 Y271 A282 | W226-P269 HydrophobicContact CH2-CB 3.32Å; W226-P269 HydrophobicContact CH2-CG 4.46Å; W226-P269 HydrophobicContact CZ2-CB 4.34Å; W226-P269 HydrophobicContact CZ3-CB 3.64Å; T267-P269 VanDerWaalsContact C-CD 3.47Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å; P269-Y271 HydrophobicContact CB-CE2 4.22Å; P269-Y271 HydrophobicContact CG-CE2 4.48Å; P269-A282 CarbonylContact C-O 3.48Å; P269-A282 WeakPolarHBondContact CA-O 3.29Å |
| 270 | L | 67.9 | Low | 71.2 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 113.7 | 163.5 | -66.7 | 176.4 | 0 | 0 | 0 | 106.8 | L272 A282 F353 M408 | L270-L272 PolarHBondContact O-N 3.37Å; L270-A282 PolarHBondContact N-O 2.9Å; L270-A282 WeakPolarHBondContact O-CA 3.46Å; L270-A282 PolarHBondContact O-N 2.76Å; L270-F353 HydrophobicContact CD1-CB 4.33Å; L270-F353 HydrophobicContact CD1-CD1 3.71Å; L270-F353 HydrophobicContact CD1-CE1 4.29Å; L270-F353 HydrophobicContact CD1-CG 4.11Å; L270-M408 HydrophobicContact CD1-CE 4.25Å; L270-M408 HydrophobicContact CD1-SD 4.02Å |
| 271 | Y | 66.5 | Low | 70.2 | Confident | 118 Ų | 118 | 56 Ų | 56 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108.7 | 176.9 | -65.8 | -72.1 | 0 | 0 | 0 | 109.2 | L20 W226 P269 | L20-Y271 HydrophobicContact CD2-CD1 4.22Å; L20-Y271 HydrophobicContact CD2-CE1 3.97Å; W226-Y271 AromaticContact CH2-CE1 3.73Å; W226-Y271 HydrophobicContact CH2-CE1 3.73Å; W226-Y271 AromaticContact CH2-CZ 3.92Å; W226-Y271 AromaticContact CZ2-CE1 3.65Å; W226-Y271 HydrophobicContact CZ2-CE1 3.65Å; W226-Y271 AromaticContact CZ2-CZ 3.81Å; W226-Y271 WeakPolarHBondContact CZ2-OH 3.1Å; P269-Y271 HydrophobicContact CB-CE2 4.22Å; P269-Y271 HydrophobicContact CG-CE2 4.48Å |
| 272 | L | 64.9 | Low | 69.4 | Low | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.1 | 178.3 | -60.2 | -178.3 | 0 | 0 | 0 | 109.7 | L270 L274 S280 A282 Y350 F353 Q354 M408 | L270-L272 PolarHBondContact O-N 3.37Å; L272-L274 PolarHBondContact O-N 2.98Å; L272-S280 PolarHBondContact N-O 3.11Å; L272-S280 PolarHBondContact O-N 2.62Å; L272-A282 HydrophobicContact CD1-CB 4.12Å; L272-A282 HydrophobicContact CG-CB 4.38Å; L272-Y350 HydrophobicContact CB-CD2 4.11Å; L272-Y350 HydrophobicContact CB-CE2 4.02Å; L272-Y350 HydrophobicContact CD1-CD2 4.1Å; L272-Y350 HydrophobicContact CD2-CD1 4.49Å; L272-Y350 HydrophobicContact CD2-CD2 3.94Å; L272-Y350 HydrophobicContact CD2-CE2 4.36Å; L272-Y350 HydrophobicContact CD2-CG 4Å; L272-Y350 HydrophobicContact CG-CD2 4.27Å; L272-F353 HydrophobicContact CD2-CD2 3.87Å; L272-Q354 HydrophobicContact CD1-CG 4.16Å; L272-M408 HydrophobicContact CD1-CE 3.97Å |
| 273 | R | 60.5 | Low | 69 | Low | 109 Ų | 109 | 54.7 Ų | 54.7 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 107.1 | 177.4 | -177.5 | 177.3 | -172.9 | 162.7 | 13.4 | 109.7 | G275 I276 Y350 | R273-G275 WeakPolarHBondContact CG-O 3.4Å; R273-G275 PolarHBondContact NE-O 2.85Å; R273-I276 PolarHBondContact NH2-O 3.21Å; R273-Y350 PolarHBondContact O-OH 3.31Å |
| 274 | L | 58.4 | Low | 68.8 | Low | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 105.6 | 170.9 | -59.9 | -179.4 | 0 | 0 | 0 | 107.9 | L272 H278 E348 | L272-L274 PolarHBondContact O-N 2.98Å; L274-H278 HydrophobicContact CB-CB 4.39Å; L274-H278 PolarHBondContact N-O 3.39Å; L274-H278 WeakPolarHBondContact O-CB 3.48Å; L274-H278 PolarHBondContact O-N 3.14Å; L274-E348 HydrophobicContact CD2-CB 4.23Å |
| 275 | G | 53.2 | Low | 68.8 | Low | 25 Ų | 25 | 47.7 Ų | 47.7 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -152.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R273 E348 | R273-G275 WeakPolarHBondContact CG-O 3.4Å; R273-G275 PolarHBondContact NE-O 2.85Å; G275-E348 WeakPolarHBondContact CA-OE1 3.47Å; G275-E348 PolarHBondContact N-OE1 3.15Å; G275-E348 VanDerWaalsContact N-OE1 3.13Å; G275-E348 PolarHBondContact N-OE2 3.16Å |
| 276 | I | 45 | Very low | 69 | Low | 143 Ų | 143 | 47 Ų | 47 | 73% | 0.733 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -33.3 | -173 | -60.3 | 176.3 | 0 | 0 | 0 | 111.5 | R273 | R273-I276 PolarHBondContact NH2-O 3.21Š|
| 277 | V | 45.8 | Very low | 69.2 | Low | 111 Ų | 111 | 44.7 Ų | 44.7 | 67% | 0.673 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -26.1 | -161.8 | -170.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 278 | H | 53.1 | Low | 69.7 | Low | 136 Ų | 136 | 44.8 Ų | 44.8 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.6 | -170.7 | -62.8 | -66.2 | 0 | 0 | 0 | 113 | L274 | L274-H278 HydrophobicContact CB-CB 4.39Å; L274-H278 PolarHBondContact N-O 3.39Å; L274-H278 WeakPolarHBondContact O-CB 3.48Å; L274-H278 PolarHBondContact O-N 3.14Å |
| 279 | L | 55.3 | Low | 70.1 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.7 | 160.5 | -80 | 172.1 | 0 | 0 | 0 | 109.4 | L18 L20 | L18-L279 HydrophobicContact CD1-CD1 3.82Å; L18-L279 HydrophobicContact CD1-CG 4.12Å; L18-L279 HydrophobicContact CD2-CD1 3.86Å; L18-L279 HydrophobicContact CD2-CD2 3.89Å; L18-L279 HydrophobicContact CD2-CG 3.89Å; L18-L279 HydrophobicContact CG-CD1 3.97Å; L18-L279 HydrophobicContact CG-CG 4.41Å; L20-L279 HydrophobicContact CB-CD1 3.52Å; L20-L279 HydrophobicContact CD2-CD1 3.57Å; L20-L279 HydrophobicContact CG-CD1 4.16Å |
| 280 | S | 60.1 | Low | 71.1 | Confident | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.9 | 167.9 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | L272 A282 | L272-S280 PolarHBondContact N-O 3.11Å; L272-S280 PolarHBondContact O-N 2.62Å; S280-A282 PolarHBondContact O-N 2.94Å; S280-A282 VanDerWaalsContact O-N 3.13Å |
| 281 | A | 63.7 | Low | 71.9 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 93.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | W226 | W226-A281 HydrophobicContact CD2-CB 4.23Å; W226-A281 HydrophobicContact CE3-CB 4.03Å; W226-A281 HydrophobicContact CH2-CB 3.39Å; W226-A281 HydrophobicContact CZ2-CB 3.66Å; W226-A281 HydrophobicContact CZ3-CB 3.62Å |
| 282 | A | 72 | Confident | 72.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F221 P269 L270 L272 S280 M408 | F221-A282 HydrophobicContact CE2-CB 4.06Å; F221-A282 HydrophobicContact CZ-CB 3.74Å; P269-A282 CarbonylContact C-O 3.48Å; P269-A282 WeakPolarHBondContact CA-O 3.29Å; L270-A282 PolarHBondContact N-O 2.9Å; L270-A282 WeakPolarHBondContact O-CA 3.46Å; L270-A282 PolarHBondContact O-N 2.76Å; L272-A282 HydrophobicContact CD1-CB 4.12Å; L272-A282 HydrophobicContact CG-CB 4.38Å; S280-A282 PolarHBondContact O-N 2.94Å; S280-A282 VanDerWaalsContact O-N 3.13Å; A282-M408 HydrophobicContact CB-CE 3.46Å; A282-M408 VanDerWaalsContact CB-CE 3.46Å |
| 283 | G | 82.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.2 | -167.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | F221 A222 F268 | F221-G283 WeakPolarHBondContact CD2-O 2.98Å; F221-G283 WeakPolarHBondContact CE2-O 3.45Å; A222-G283 PolarHBondContact N-O 2.88Å; F268-G283 WeakPolarHBondContact O-CA 3.12Å |
| 284 | A | 89.8 | Confident | 74.3 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 156.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F268 F385 L413 | F268-A284 HydrophobicContact CD2-CB 4.44Å; F268-A284 PolarHBondContact N-O 3.34Å; F268-A284 PolarHBondContact O-N 2.94Å; A284-F385 HydrophobicContact CB-CD2 4.43Å; A284-F385 HydrophobicContact CB-CE2 3.7Å; A284-F385 HydrophobicContact CB-CZ 4.5Å; A284-L413 HydrophobicContact CB-CD1 3.74Å; A284-L413 HydrophobicContact CB-CD2 3.96Å; A284-L413 HydrophobicContact CB-CG 4.46Å |
| 285 | A | 90.7 | Very high | 75 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T220 V225 L266 T267 | T220-A285 HydrophobicContact CG2-CB 3.87Å; T220-A285 PolarHBondContact N-O 3.15Å; T220-A285 VanDerWaalsContact N-O 3.08Å; T220-A285 PolarHBondContact O-N 2.58Å; V225-A285 HydrophobicContact CG2-CB 3.44Å; V225-A285 VanDerWaalsContact CG2-CB 3.44Å; L266-A285 CarbonylContact O-C 3.56Å; L266-A285 VanDerWaalsContact O-CA 3.29Å; L266-A285 WeakPolarHBondContact O-CA 3.26Å; T267-A285 HydrophobicContact CG2-CB 3.94Å |
| 286 | I | 93.5 | Very high | 75.5 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.6 | 169.1 | -58.8 | 171.3 | 0 | 0 | 0 | 106.7 | T217 L219 L266 F268 L413 I417 T420 | T217-I286 HydrophobicContact CG2-CG2 3.93Å; L219-I286 HydrophobicContact CD2-CG1 3.84Å; L266-I286 PolarHBondContact N-O 3.31Å; L266-I286 PolarHBondContact O-N 2.98Å; F268-I286 HydrophobicContact CE2-CD1 3.64Å; F268-I286 HydrophobicContact CE2-CG1 4Å; F268-I286 HydrophobicContact CZ-CD1 4.12Å; I286-L413 HydrophobicContact CD1-CD1 4.27Å; I286-L413 HydrophobicContact CG1-CD1 4.26Å; I286-I417 HydrophobicContact CD1-CB 4.23Å; I286-I417 HydrophobicContact CD1-CG1 3.57Å; I286-I417 HydrophobicContact CG1-CG1 4.25Å; I286-T420 WeakPolarHBondContact CD1-OG1 3.34Å; I286-T420 HydrophobicContact CG2-CG2 4.31Å |
| 287 | V | 93.7 | Very high | 75.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 109 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | I190 V218 T220 V225 V235 V262 I265 L289 | I190-V287 HydrophobicContact CD1-CG2 4.49Å; V218-V287 HydrophobicContact CB-CB 4.17Å; V218-V287 PolarHBondContact N-O 3.01Å; V218-V287 PolarHBondContact O-N 3.18Å; T220-V287 HydrophobicContact CG2-CG2 4.22Å; V225-V287 HydrophobicContact CB-CG2 4.36Å; V225-V287 HydrophobicContact CG1-CG2 3.91Å; V225-V287 HydrophobicContact CG2-CG2 3.9Å; V235-V287 HydrophobicContact CG2-CG1 4.24Å; V262-V287 HydrophobicContact CB-CG1 4.29Å; V262-V287 HydrophobicContact CG1-CG1 3.61Å; V262-V287 HydrophobicContact CG2-CG1 3.7Å; I265-V287 HydrophobicContact CG1-CG1 4.45Å; I265-V287 HydrophobicContact CG1-CG2 4.46Å; V287-L289 HydrophobicContact CG1-CD2 4.37Å |
| 288 | K | 94.1 | Very high | 76.4 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 130.6 | 173.2 | -79.5 | -69.9 | -159.7 | 173.6 | 0 | 108.7 | D216 T217 K263 S264 T420 E421 | D216-K288 VanDerWaalsContact CG-NZ 3.26Å; D216-K288 CarbonylContact O-C 3.59Å; D216-K288 WeakPolarHBondContact O-CA 3.39Å; D216-K288 IonicContact OD1-NZ 2.71Å; D216-K288 PolarHBondContact OD1-NZ 3.02Å; D216-K288 VanDerWaalsContact OD2-CD 3.29Å; D216-K288 WeakPolarHBondContact OD2-CD 3.42Å; D216-K288 IonicContact OD2-NZ 2.76Å; D216-K288 PolarHBondContact OD2-NZ 2.93Å; T217-K288 WeakPolarHBondContact OG1-CD 3.49Å; T217-K288 WeakPolarHBondContact OG1-CE 3.4Å; T217-K288 PolarHBondContact OG1-NZ 3.18Å; K263-K288 WeakPolarHBondContact CB-O 3.37Å; K263-K288 PolarHBondContact N-O 2.88Å; S264-K288 PolarHBondContact N-O 2.6Å; S264-K288 PolarHBondContact O-N 3.09Å; S264-K288 WeakPolarHBondContact OG-CB 3.39Å; K288-T420 HydrophobicContact CG-CG2 4.3Å; K288-E421 IonicContact NZ-OE1 2.62Å; K288-E421 PolarHBondContact NZ-OE1 2.82Å |
| 289 | L | 92.1 | Very high | 76.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 158.5 | -179.9 | -58 | -179.4 | 0 | 0 | 0 | 110.9 | L206 D216 V218 V235 V260 P261 V262 K263 V287 H291 I293 | L206-L289 HydrophobicContact CD2-CD1 4.23Å; D216-L289 HydrophobicContact CB-CB 4.48Å; D216-L289 WeakPolarHBondContact O-CB 3.36Å; D216-L289 WeakPolarHBondContact O-CG 3.28Å; D216-L289 PolarHBondContact O-N 3.16Å; V218-L289 HydrophobicContact CG2-CD1 4.06Å; V218-L289 HydrophobicContact CG2-CD2 4.48Å; V218-L289 HydrophobicContact CG2-CG 4.36Å; V235-L289 HydrophobicContact CB-CD2 3.72Å; V235-L289 HydrophobicContact CG1-CD2 4.23Å; V235-L289 HydrophobicContact CG2-CD2 3.6Å; V260-L289 HydrophobicContact CB-CD1 4.24Å; V260-L289 HydrophobicContact CB-CD2 4.46Å; V260-L289 HydrophobicContact CG1-CB 3.81Å; V260-L289 HydrophobicContact CG1-CD1 4.11Å; V260-L289 HydrophobicContact CG1-CD2 4.42Å; V260-L289 HydrophobicContact CG1-CG 4.34Å; P261-L289 WeakPolarHBondContact O-CA 2.95Å; V262-L289 HydrophobicContact CG2-CD2 4.49Å; K263-L289 WeakPolarHBondContact CB-O 3.33Å; V287-L289 HydrophobicContact CG1-CD2 4.37Å; L289-H291 VanDerWaalsContact C-N 3.3Å; L289-I293 HydrophobicContact CD1-CD1 3.33Å; L289-I293 HydrophobicContact CD1-CG1 4.43Å |
| 290 | E | 89.8 | Confident | 77.6 | Confident | 110 Ų | 110 | 47.1 Ų | 47.1 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -27.3 | 173.2 | -74.4 | -177.7 | -177.8 | 0 | 0 | 112.6 | P261 K263 | P261-E290 HydrophobicContact CB-CB 4.32Å; P261-E290 VanDerWaalsContact CB-CD 3.46Å; P261-E290 HydrophobicContact CB-CG 4.01Å; P261-E290 VanDerWaalsContact CB-OE2 3.26Å; P261-E290 WeakPolarHBondContact CB-OE2 2.96Å; P261-E290 WeakPolarHBondContact CG-OE2 3.47Å; P261-E290 PolarHBondContact O-N 2.89Å; K263-E290 HydrophobicContact CB-CG 3.92Å |
| 291 | H | 86.2 | Confident | 78.2 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136 | -176.7 | -55 | 86.4 | 0 | 0 | 0 | 110.4 | V260 L289 | V260-H291 HydrophobicContact CG1-CB 4.07Å; L289-H291 VanDerWaalsContact C-N 3.3Å |
| 292 | S | 84.9 | Confident | 79.2 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.5 | 173.2 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | S215 | S215-S292 WeakPolarHBondContact O-CA 3.26Å |
| 293 | I | 81.1 | Confident | 80 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.2 | 179.7 | -68.2 | 146.9 | 0 | 0 | 0 | 109 | L206 Y214 S215 V237 V260 L289 | L206-I293 HydrophobicContact CD1-CB 4.36Å; L206-I293 HydrophobicContact CD1-CD1 3.82Å; L206-I293 HydrophobicContact CD1-CG2 4.02Å; L206-I293 HydrophobicContact CD2-CD1 3.62Å; L206-I293 HydrophobicContact CG-CD1 4.36Å; Y214-I293 CarbonylContact C-O 3.55Å; Y214-I293 WeakPolarHBondContact CA-O 3.46Å; S215-I293 PolarHBondContact N-O 3.02Å; S215-I293 PolarHBondContact O-N 2.86Å; V237-I293 HydrophobicContact CB-CD1 4.39Å; V237-I293 HydrophobicContact CG1-CD1 4.14Å; V237-I293 HydrophobicContact CG1-CG1 4.42Å; V237-I293 HydrophobicContact CG1-CG2 3.83Å; V237-I293 HydrophobicContact CG2-CD1 3.43Å; V237-I293 VanDerWaalsContact CG2-CD1 3.43Å; V237-I293 HydrophobicContact CG2-CG1 4.13Å; V260-I293 HydrophobicContact CG2-CD1 4.21Å; V260-I293 HydrophobicContact CG2-CG1 4.22Å; L289-I293 HydrophobicContact CD1-CD1 3.33Å; L289-I293 HydrophobicContact CD1-CG1 4.43Å |
| 294 | S | 75.8 | Confident | 80.4 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 132.8 | 169.5 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | Y214 | Y214-S294 VanDerWaalsContact CE1-CB 3.48Å |
| 295 | L | 72.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 125.3 | 177.2 | -65.2 | 136.5 | 0 | 0 | 0 | 109.6 | P186 V208 S213 T297 | P186-L295 HydrophobicContact CB-CD2 3.47Å; P186-L295 VanDerWaalsContact CB-CD2 3.47Å; P186-L295 HydrophobicContact CG-CD2 3.82Å; V208-L295 HydrophobicContact CB-CD1 4.02Å; V208-L295 HydrophobicContact CG1-CD1 3.51Å; V208-L295 HydrophobicContact CG2-CD1 3.3Å; V208-L295 HydrophobicContact CG2-CD2 4.21Å; V208-L295 HydrophobicContact CG2-CG 4.38Å; S213-L295 PolarHBondContact O-N 3.23Å; L295-T297 PolarHBondContact O-N 3.42Å |
| 296 | I | 64.9 | Low | 80.2 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -61 | 136 | 169.5 | -55.4 | 166.7 | 0 | 0 | 0 | 107.4 | S298 L299 | I296-S298 WeakPolarHBondContact CG2-OG 3.46Å; I296-S298 PolarHBondContact O-N 2.85Å; I296-L299 WeakPolarHBondContact O-CB 3.2Å; I296-L299 PolarHBondContact O-N 3Å |
| 297 | T | 53.4 | Low | 79.5 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 80% | 0.798 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -18.3 | -173.7 | -40 | 0 | 0 | 0 | 0 | 115 | L295 | L295-T297 PolarHBondContact O-N 3.42Š|
| 298 | S | 54.7 | Low | 78.9 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.5 | 173.7 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | I296 K300 | I296-S298 WeakPolarHBondContact CG2-OG 3.46Å; I296-S298 PolarHBondContact O-N 2.85Å; S298-K300 PolarHBondContact O-N 2.86Å |
| 299 | L | 65.2 | Low | 78.6 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -86.1 | 101.5 | 175 | -62.1 | 178.6 | 0 | 0 | 0 | 109.3 | A184 P186 I296 | A184-L299 HydrophobicContact CB-CD2 3.68Å; A184-L299 WeakPolarHBondContact O-CA 3.35Å; P186-L299 HydrophobicContact CB-CD1 4.44Å; I296-L299 WeakPolarHBondContact O-CB 3.2Å; I296-L299 PolarHBondContact O-N 3Å |
| 300 | K | 69.2 | Low | 78.4 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | trans | -109.1 | 116 | 173 | -69.9 | -175.1 | 179.1 | 179.3 | 0 | 108.5 | P183 A184 S298 | P183-K300 HydrophobicContact CB-CB 4.39Å; A184-K300 PolarHBondContact O-N 2.84Å; A184-K300 VanDerWaalsContact O-N 3.11Å; S298-K300 PolarHBondContact O-N 2.86Å | ||
| 301 | P | 72.6 | Confident | 78.5 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 160.8 | 173.3 | 35 | -41.3 | 0 | 0 | 0 | 109.9 | P186 V208 | P186-P301 HydrophobicContact CG-CB 4.17Å; V208-P301 HydrophobicContact CB-CG 3.78Å; V208-P301 HydrophobicContact CG2-CB 4.17Å; V208-P301 HydrophobicContact CG2-CG 3.6Å |
| 302 | Y | 85.3 | Confident | 78.8 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78 | 140 | 173 | -55.5 | -76.6 | 0 | 0 | 0 | 110.1 | L182 P183 A185 I205 I320 V373 W380 | L182-Y302 HydrophobicContact CD1-CE1 3.65Å; L182-Y302 WeakPolarHBondContact CD1-OH 3.37Å; L182-Y302 HydrophobicContact CG-CE1 4.36Å; L182-Y302 WeakPolarHBondContact CG-OH 3.39Å; P183-Y302 HydrophobicContact CG-CD1 4.49Å; P183-Y302 HydrophobicContact CG-CE1 3.75Å; P183-Y302 PolarHBondContact O-OH 3.32Å; A185-Y302 HydrophobicContact CB-CD2 4.36Å; A185-Y302 HydrophobicContact CB-CE2 3.45Å; A185-Y302 VanDerWaalsContact CB-CE2 3.45Å; I205-Y302 HydrophobicContact CD1-CD2 3.89Å; I205-Y302 HydrophobicContact CD1-CE2 4.38Å; Y302-I320 HydrophobicContact CD2-CD1 4.41Å; Y302-I320 HydrophobicContact CE2-CD1 3.29Å; Y302-I320 VanDerWaalsContact CZ-CD1 3.42Å; Y302-I320 WeakPolarHBondContact OH-CD1 3.4Å; Y302-V373 HydrophobicContact CD1-CB 4.45Å; Y302-V373 HydrophobicContact CD1-CG1 4.11Å; Y302-V373 HydrophobicContact CD2-CG1 3.44Å; Y302-V373 VanDerWaalsContact CD2-CG1 3.44Å; Y302-V373 HydrophobicContact CE1-CG1 4.32Å; Y302-V373 HydrophobicContact CE1-CG2 4.47Å; Y302-V373 HydrophobicContact CE2-CG1 3.69Å; Y302-V373 HydrophobicContact CG-CB 4.45Å; Y302-V373 HydrophobicContact CG-CG1 3.67Å; Y302-W380 HydrophobicContact CD1-CB 3.65Å; Y302-W380 HydrophobicContact CE1-CB 3.69Å; Y302-W380 HydrophobicContact CE1-CG 4.49Å |
| 303 | S | 88.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 142.2 | 160.8 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | K381 Q382 | S303-K381 CarbonylContact O-C 3.57Å; S303-K381 VanDerWaalsContact O-CA 3.23Å; S303-K381 WeakPolarHBondContact O-CA 3.28Å; S303-Q382 PolarHBondContact O-N 2.81Å |
| 304 | L | 90.8 | Very high | 79.5 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 152.5 | 171.9 | -52 | -175.9 | 0 | 0 | 0 | 109.7 | Y207 L219 Q382 L410 E414 I417 | Y207-L304 HydrophobicContact CD2-CD1 4.19Å; Y207-L304 HydrophobicContact CD2-CD2 4.32Å; Y207-L304 HydrophobicContact CD2-CG 4.24Å; Y207-L304 HydrophobicContact CE2-CD1 3.92Å; Y207-L304 HydrophobicContact CE2-CG 4Å; L219-L304 HydrophobicContact CD1-CD1 4.17Å; L219-L304 HydrophobicContact CD1-CD2 3.88Å; L304-Q382 HydrophobicContact CD2-CB 4.25Å; L304-L410 HydrophobicContact CB-CD1 3.88Å; L304-L410 HydrophobicContact CD2-CD1 3.83Å; L304-L410 HydrophobicContact CG-CD1 4.29Å; L304-E414 HydrophobicContact CD1-CB 4.08Å; L304-E414 HydrophobicContact CD1-CG 4.36Å; L304-I417 HydrophobicContact CD1-CD1 3.94Å |
| 305 | S | 90.3 | Very high | 80.4 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 7% | 0.07 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 136.9 | 167.3 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | E309 Q382 | S305-E309 WeakPolarHBondContact CA-OE2 3.36Å; S305-Q382 WeakPolarHBondContact CB-O 3.35Å; S305-Q382 PolarHBondContact N-O 3.43Å; S305-Q382 PolarHBondContact OG-O 3.03Å |
| 306 | Y | 85 | Confident | 81.4 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -66 | 155.6 | 170.3 | -63.6 | -59.9 | 0 | 0 | 0 | 111.1 | W308 E309 | Y306-W308 VanDerWaalsContact CB-CE2 3.42Å; Y306-W308 VanDerWaalsContact CB-CZ2 3.4Å; Y306-W308 AromaticContact CD1-CH2 3.83Å; Y306-W308 HydrophobicContact CD1-CH2 3.83Å; Y306-W308 AromaticContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD2-CH2 4.28Å; Y306-W308 AromaticContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CE2-CZ2 4.36Å; Y306-W308 AromaticContact CG-CE2 3.9Å; Y306-W308 AromaticContact CG-CH2 3.67Å; Y306-W308 HydrophobicContact CG-CH2 3.67Å; Y306-W308 AromaticContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ3 4.39Å; Y306-W308 PolarHBondContact O-N 2.6Å; Y306-E309 HydrophobicContact CD2-CG 4.39Å; Y306-E309 PolarHBondContact N-OE2 2.86Å; Y306-E309 WeakPolarHBondContact O-CB 3.23Å; Y306-E309 PolarHBondContact O-N 3.29Å |
| 307 | P | 79.7 | Confident | 82.8 | Confident | 74 Ų | 74 | 62 Ų | 62 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | -176.7 | -28.2 | 36.4 | 0 | 0 | 0 | 115.4 | D412 | P307-D412 HydrophobicContact CG-CB 3.81Š|
| 308 | W | 80.9 | Confident | 84.8 | Confident | 196 Ų | 196 | 56.6 Ų | 56.6 | 74% | 0.742 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.6 | 175.8 | 60.6 | 84 | 0 | 0 | 0 | 113.9 | Y306 | Y306-W308 VanDerWaalsContact CB-CE2 3.42Å; Y306-W308 VanDerWaalsContact CB-CZ2 3.4Å; Y306-W308 AromaticContact CD1-CH2 3.83Å; Y306-W308 HydrophobicContact CD1-CH2 3.83Å; Y306-W308 AromaticContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD1-CZ2 4Å; Y306-W308 HydrophobicContact CD2-CH2 4.28Å; Y306-W308 AromaticContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CD2-CZ2 3.59Å; Y306-W308 HydrophobicContact CE2-CZ2 4.36Å; Y306-W308 AromaticContact CG-CE2 3.9Å; Y306-W308 AromaticContact CG-CH2 3.67Å; Y306-W308 HydrophobicContact CG-CH2 3.67Å; Y306-W308 AromaticContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ2 3.38Å; Y306-W308 HydrophobicContact CG-CZ3 4.39Å; Y306-W308 PolarHBondContact O-N 2.6Å |
| 309 | E | 87.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | trans | -84.7 | 117.4 | 174.6 | -69.7 | 177.8 | 149.1 | 0 | 0 | 109.6 | S305 Y306 K381 | S305-E309 WeakPolarHBondContact CA-OE2 3.36Å; Y306-E309 HydrophobicContact CD2-CG 4.39Å; Y306-E309 PolarHBondContact N-OE2 2.86Å; Y306-E309 WeakPolarHBondContact O-CB 3.23Å; Y306-E309 PolarHBondContact O-N 3.29Å; E309-K381 IonicContact OE1-NZ 3.28Å; E309-K381 PolarHBondContact OE1-NZ 3.11Å; E309-K381 WeakPolarHBondContact OE2-CD 3.43Å; E309-K381 IonicContact OE2-NZ 3.7Å; E309-K381 PolarHBondContact OE2-NZ 2.79Å | ||
| 310 | S | 87.4 | Confident | 88 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | trans | -113.7 | 144.9 | 177 | 58.3 | 0 | 0 | 0 | 0 | 112 | Y355 | S310-Y355 WeakPolarHBondContact CA-OH 3.27Š| ||
| 311 | A | 93.2 | Very high | 89 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | trans | -80.9 | 132.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M315 L335 Y355 C374 V383 | A311-M315 HydrophobicContact CB-SD 4.41Å; A311-L335 HydrophobicContact CB-CD1 3.47Å; A311-L335 VanDerWaalsContact CB-CD1 3.47Å; A311-Y355 HydrophobicContact CB-CE1 4Å; A311-Y355 HydrophobicContact CB-CE2 4.26Å; A311-Y355 PolarHBondContact N-OH 3.49Å; A311-Y355 WeakPolarHBondContact O-CE1 3.36Å; A311-C374 HydrophobicContact CB-CB 4.33Å; A311-V383 HydrophobicContact CB-CB 4.41Å; A311-V383 HydrophobicContact CB-CG1 4.31Å; A311-V383 HydrophobicContact CB-CG2 4.15Å | ||
| 312 | N | 92.6 | Very high | 89.4 | Confident | 84 Ų | 84 | 43 Ų | 43 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | trans | -107.2 | 153.1 | -177.2 | -71.6 | -39.8 | 0 | 0 | 0 | 111.7 | G314 M315 | N312-G314 PolarHBondContact O-N 3.04Å; N312-M315 HydrophobicContact CB-CE 4.13Å; N312-M315 HydrophobicContact CB-CG 4.25Å; N312-M315 HydrophobicContact CB-SD 4.3Å; N312-M315 PolarHBondContact N-SD 3.21Å; N312-M315 WeakPolarHBondContact O-CB 3.25Å; N312-M315 PolarHBondContact O-N 2.9Å | ||
| 313 | P | 90.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.4 | -175.8 | -31 | 38.4 | 0 | 0 | 0 | 117.1 | L335 P337 | P313-L335 VanDerWaalsContact CA-O 3.27Å; P313-L335 WeakPolarHBondContact CA-O 3.47Å; P313-L335 VanDerWaalsContact CB-O 3.31Å; P313-L335 WeakPolarHBondContact CB-O 3.32Å; P313-P337 HydrophobicContact CB-CG 4.07Å; P313-P337 HydrophobicContact CG-CB 4.23Å; P313-P337 HydrophobicContact CG-CG 3.86Å |
| 314 | G | 90.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 85% | 0.845 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N312 | N312-G314 PolarHBondContact O-N 3.04Š|
| 315 | M | 93.3 | Very high | 88.2 | Confident | 44 Ų | 44 | 50 Ų | 50 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -80.5 | 139 | 179.6 | -68 | 179.5 | 174.7 | 0 | 0 | 111.3 | A311 N312 C317 I376 | A311-M315 HydrophobicContact CB-SD 4.41Å; N312-M315 HydrophobicContact CB-CE 4.13Å; N312-M315 HydrophobicContact CB-CG 4.25Å; N312-M315 HydrophobicContact CB-SD 4.3Å; N312-M315 PolarHBondContact N-SD 3.21Å; N312-M315 WeakPolarHBondContact O-CB 3.25Å; N312-M315 PolarHBondContact O-N 2.9Å; M315-C317 PolarHBondContact O-N 2.86Å; M315-I376 HydrophobicContact CE-CG1 4.35Å; M315-I376 HydrophobicContact SD-CG1 3.97Å |
| 316 | S | 93.6 | Very high | 87.3 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | trans | -64.6 | 115.6 | 167.6 | -45.1 | 0 | 0 | 0 | 0 | 109.5 | C374 N375 W380 | S316-C374 WeakPolarHBondContact O-CA 3.14Å; S316-N375 PolarHBondContact O-N 2.67Å; S316-W380 WeakPolarHBondContact O-CZ3 3.45Å | ||
| 317 | C | 95.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.9 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | M315 Y333 L372 V373 C374 | M315-C317 PolarHBondContact O-N 2.86Å; C317-Y333 PolarHBondContact O-N 3.25Å; C317-L372 HydrophobicContact CB-CD1 4.12Å; C317-V373 CarbonylContact C-O 3.55Å; C317-V373 WeakPolarHBondContact CA-O 3.24Å; C317-C374 HydrophobicContact CB-CB 4.16Å; C317-C374 WeakPolarHBondContact CB-SG 3.1Å; C317-C374 WeakPolarHBondContact SG-CB 3.07Å; C317-C374 CovalentContact SG-SG 2.04Å; C317-C374 PolarHBondContact SG-SG 3.28Å |
| 318 | Y | 95 | Very high | 86.9 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.7 | 180 | -64.3 | -88.9 | 0 | 0 | 0 | 110.6 | H148 L182 R330 V331 A332 V373 W380 | H148-Y318 PolarHBondContact CD2-OH 3.19Å; L182-Y318 HydrophobicContact CD2-CD2 4.34Å; L182-Y318 HydrophobicContact CD2-CG 4.37Å; Y318-R330 HydrophobicContact CD1-CB 4.23Å; Y318-R330 HydrophobicContact CD1-CG 4.26Å; Y318-V331 CarbonylContact C-O 3.6Å; Y318-V331 VanDerWaalsContact CA-O 3.26Å; Y318-V331 WeakPolarHBondContact CA-O 3.35Å; Y318-A332 HydrophobicContact CD1-CB 4.08Å; Y318-A332 HydrophobicContact CE1-CB 3.79Å; Y318-V373 PolarHBondContact N-O 3.44Å; Y318-V373 WeakPolarHBondContact O-CG2 3.34Å; Y318-V373 PolarHBondContact O-N 3.28Å; Y318-W380 AromaticContact CD2-CH2 3.87Å; Y318-W380 HydrophobicContact CD2-CH2 3.87Å; Y318-W380 AromaticContact CD2-CZ3 3.82Å; Y318-W380 HydrophobicContact CD2-CZ3 3.82Å; Y318-W380 AromaticContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CZ2 4.46Å; Y318-W380 HydrophobicContact CE2-CZ3 4.06Å |
| 319 | V | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.3 | 161.2 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | R330 V331 Y333 L364 V367 A370 L372 Y386 F407 | V319-R330 CarbonylContact O-C 3.54Å; V319-R330 VanDerWaalsContact O-CA 3.32Å; V319-R330 WeakPolarHBondContact O-CA 3.3Å; V319-V331 PolarHBondContact N-O 3.45Å; V319-V331 PolarHBondContact O-N 2.9Å; V319-Y333 HydrophobicContact CB-CD2 4Å; V319-Y333 HydrophobicContact CB-CE2 3.93Å; V319-Y333 HydrophobicContact CG2-CD2 3.4Å; V319-Y333 VanDerWaalsContact CG2-CD2 3.4Å; V319-Y333 HydrophobicContact CG2-CE2 3.51Å; V319-Y333 HydrophobicContact CG2-CG 4.17Å; V319-L364 HydrophobicContact CB-CD1 4.11Å; V319-L364 HydrophobicContact CG1-CD1 3.63Å; V319-V367 HydrophobicContact CG1-CG2 3.84Å; V319-A370 HydrophobicContact CG1-CB 3.77Å; V319-L372 HydrophobicContact CG2-CD1 3.82Å; V319-Y386 HydrophobicContact CG1-CD2 4.02Å; V319-Y386 HydrophobicContact CG2-CD2 4.1Å; V319-F407 HydrophobicContact CG2-CE1 3.46Å; V319-F407 VanDerWaalsContact CG2-CE1 3.46Å; V319-F407 HydrophobicContact CG2-CZ 3.88Å |
| 320 | I | 91.6 | Very high | 87.2 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.3 | 178.4 | -51.8 | 163.5 | 0 | 0 | 0 | 107.9 | L182 A185 I187 Y302 V328 R330 P371 V373 | L182-I320 HydrophobicContact CD2-CD1 4.12Å; L182-I320 HydrophobicContact CD2-CG1 4.46Å; A185-I320 HydrophobicContact CB-CD1 4.28Å; A185-I320 HydrophobicContact CB-CG2 4.42Å; I187-I320 HydrophobicContact CD1-CB 4.23Å; I187-I320 HydrophobicContact CD1-CG2 3.93Å; I187-I320 HydrophobicContact CG1-CG2 3.82Å; Y302-I320 HydrophobicContact CD2-CD1 4.41Å; Y302-I320 HydrophobicContact CE2-CD1 3.29Å; Y302-I320 VanDerWaalsContact CZ-CD1 3.42Å; Y302-I320 WeakPolarHBondContact OH-CD1 3.4Å; I320-V328 HydrophobicContact CG2-CG1 3.99Å; I320-R330 HydrophobicContact CG1-CB 4.27Å; I320-P371 HydrophobicContact CB-CG 4.36Å; I320-P371 PolarHBondContact N-O 2.92Å; I320-P371 WeakPolarHBondContact O-CD 3.42Å; I320-V373 HydrophobicContact CD1-CG1 4.05Å; I320-V373 HydrophobicContact CD1-CG2 3.69Å; I320-V373 HydrophobicContact CG1-CG2 4.22Å |
| 321 | G | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -153.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | V328 T329 | G321-V328 CarbonylContact O-C 3.52Å; G321-V328 WeakPolarHBondContact O-CA 3.4Å; G321-T329 PolarHBondContact N-O 3.46Å; G321-T329 PolarHBondContact O-N 3Å |
| 322 | I | 83 | Confident | 87.5 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.9 | -179.1 | -76.4 | 163 | 0 | 0 | 0 | 108.4 | I187 Q189 H326 V328 L364 F365 | I187-I322 HydrophobicContact CG2-CD1 4.15Å; I187-I322 HydrophobicContact CG2-CG1 4.25Å; Q189-I322 HydrophobicContact CG-CD1 3.38Å; I322-H326 WeakPolarHBondContact CG2-O 3.4Å; I322-V328 HydrophobicContact CG1-CG2 4.29Å; I322-L364 CarbonylContact O-C 3.52Å; I322-L364 WeakPolarHBondContact O-CA 3.5Å; I322-F365 PolarHBondContact O-N 2.88Å |
| 323 | S | 84.2 | Confident | 87.6 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 171.3 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | H325 H326 N327 T329 D363 | S323-H325 PolarHBondContact O-N 3.08Å; S323-H326 VanDerWaalsContact O-CA 3.23Å; S323-H326 WeakPolarHBondContact O-CA 3.16Å; S323-H326 PolarHBondContact O-N 2.88Å; S323-N327 PolarHBondContact N-O 2.81Å; S323-N327 PolarHBondContact OG-N 3.36Å; S323-N327 PolarHBondContact OG-O 3.29Å; S323-T329 WeakPolarHBondContact CB-OG1 2.95Å; S323-T329 PolarHBondContact OG-OG1 2.69Å; S323-D363 WeakPolarHBondContact CA-O 3.49Å |
| 324 | G | 77.3 | Confident | 87.9 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H326 | G324-H326 PolarHBondContact O-N 2.71Š|
| 325 | H | 77.3 | Confident | 88.2 | Confident | 156 Ų | 156 | 32.1 Ų | 32.1 | 72% | 0.722 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 13.3 | 168.2 | -57.1 | -62.6 | 0 | 0 | 0 | 112.8 | S323 N327 | S323-H325 PolarHBondContact O-N 3.08Å; H325-N327 PolarHBondContact O-N 3.05Å |
| 326 | H | 71.1 | Confident | 88.3 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.13 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 63.7 | -9.2 | 177.1 | -51.1 | -71.8 | 0 | 0 | 0 | 116.2 | A240 M241 I322 S323 G324 | A240-H326 WeakPolarHBondContact CA-O 3.4Å; A240-H326 VanDerWaalsContact CB-C 3.44Å; A240-H326 HydrophobicContact CB-CB 3.53Å; A240-H326 WeakPolarHBondContact CB-O 3.5Å; A240-H326 PolarHBondContact N-O 2.87Å; M241-H326 WeakPolarHBondContact O-CB 3.43Å; M241-H326 PolarHBondContact O-CD2 3.05Å; M241-H326 PolarHBondContact O-CE1 2.9Å; M241-H326 VanDerWaalsContact O-CE1 3.25Å; M241-H326 PolarHBondContact O-ND1 2.92Å; M241-H326 PolarHBondContact O-NE2 2.81Å; I322-H326 WeakPolarHBondContact CG2-O 3.4Å; S323-H326 VanDerWaalsContact O-CA 3.23Å; S323-H326 WeakPolarHBondContact O-CA 3.16Å; S323-H326 PolarHBondContact O-N 2.88Å; G324-H326 PolarHBondContact O-N 2.71Å |
| 327 | N | 76 | Confident | 88.5 | Confident | 90 Ų | 90 | 31.3 Ų | 31.3 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.4 | 145.3 | 171.7 | -67.4 | -47.9 | 0 | 0 | 0 | 112 | S323 H325 T329 | S323-N327 PolarHBondContact N-O 2.81Å; S323-N327 PolarHBondContact OG-N 3.36Å; S323-N327 PolarHBondContact OG-O 3.29Å; H325-N327 PolarHBondContact O-N 3.05Å; N327-T329 PolarHBondContact O-N 3.29Å; N327-T329 PolarHBondContact O-OG1 3.46Å |
| 328 | V | 80.8 | Confident | 88.4 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 120.5 | 170.1 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | I150 I187 T239 I320 G321 I322 | I150-V328 WeakPolarHBondContact CD1-O 3.32Å; I187-V328 HydrophobicContact CB-CG1 4.41Å; I187-V328 HydrophobicContact CB-CG2 4.25Å; I187-V328 HydrophobicContact CG1-CG1 3.93Å; T239-V328 HydrophobicContact CG2-CG2 4.08Å; I320-V328 HydrophobicContact CG2-CG1 3.99Å; G321-V328 CarbonylContact O-C 3.52Å; G321-V328 WeakPolarHBondContact O-CA 3.4Å; I322-V328 HydrophobicContact CG1-CG2 4.29Å |
| 329 | T | 85.2 | Confident | 88.4 | Confident | 35 Ų | 35 | 41 Ų | 41 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.7 | -170.5 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | G321 S323 N327 | G321-T329 PolarHBondContact N-O 3.46Å; G321-T329 PolarHBondContact O-N 3Å; S323-T329 WeakPolarHBondContact CB-OG1 2.95Å; S323-T329 PolarHBondContact OG-OG1 2.69Å; N327-T329 PolarHBondContact O-N 3.29Å; N327-T329 PolarHBondContact O-OG1 3.46Å |
| 330 | R | 88.8 | Confident | 88.4 | Confident | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.3 | 174.3 | 61.9 | -174.3 | 172.6 | 153.8 | -21.3 | 111.1 | H148 K149 L182 Y318 V319 I320 | H148-R330 VanDerWaalsContact CB-CZ 3.49Å; H148-R330 VanDerWaalsContact O-CZ 3.28Å; H148-R330 PolarHBondContact O-NE 2.91Å; H148-R330 PolarHBondContact O-NH2 2.78Å; H148-R330 VanDerWaalsContact O-NH2 3.13Å; K149-R330 PolarHBondContact O-NH2 2.82Å; L182-R330 VanDerWaalsContact CB-NH1 3.28Å; L182-R330 HydrophobicContact CD2-CB 4.5Å; L182-R330 VanDerWaalsContact CD2-CD 3.43Å; Y318-R330 HydrophobicContact CD1-CB 4.23Å; Y318-R330 HydrophobicContact CD1-CG 4.26Å; V319-R330 CarbonylContact O-C 3.54Å; V319-R330 VanDerWaalsContact O-CA 3.32Å; V319-R330 WeakPolarHBondContact O-CA 3.3Å; I320-R330 HydrophobicContact CG1-CB 4.27Å |
| 331 | V | 92.4 | Very high | 88.5 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.8 | 175 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | Y318 V319 Y333 R360 D363 L364 | Y318-V331 CarbonylContact C-O 3.6Å; Y318-V331 VanDerWaalsContact CA-O 3.26Å; Y318-V331 WeakPolarHBondContact CA-O 3.35Å; V319-V331 PolarHBondContact N-O 3.45Å; V319-V331 PolarHBondContact O-N 2.9Å; V331-Y333 HydrophobicContact CB-CE2 4.17Å; V331-Y333 HydrophobicContact CG1-CD2 4.16Å; V331-Y333 HydrophobicContact CG1-CE2 3.73Å; V331-R360 HydrophobicContact CG1-CB 4.13Å; V331-D363 HydrophobicContact CG2-CB 3.95Å; V331-L364 HydrophobicContact CB-CD1 4.18Å; V331-L364 HydrophobicContact CG2-CD1 3.85Å; V331-L364 HydrophobicContact CG2-CD2 4.02Å; V331-L364 HydrophobicContact CG2-CG 3.7Å |
| 332 | A | 93.7 | Very high | 88.7 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y318 | Y318-A332 HydrophobicContact CD1-CB 4.08Å; Y318-A332 HydrophobicContact CE1-CB 3.79Å |
| 333 | Y | 95.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.5 | 175.1 | -88.2 | -92.4 | 0 | 0 | 0 | 110.6 | C317 V319 V331 V358 G361 V405 F407 | C317-Y333 PolarHBondContact O-N 3.25Å; V319-Y333 HydrophobicContact CB-CD2 4Å; V319-Y333 HydrophobicContact CB-CE2 3.93Å; V319-Y333 HydrophobicContact CG2-CD2 3.4Å; V319-Y333 VanDerWaalsContact CG2-CD2 3.4Å; V319-Y333 HydrophobicContact CG2-CE2 3.51Å; V319-Y333 HydrophobicContact CG2-CG 4.17Å; V331-Y333 HydrophobicContact CB-CE2 4.17Å; V331-Y333 HydrophobicContact CG1-CD2 4.16Å; V331-Y333 HydrophobicContact CG1-CE2 3.73Å; Y333-V358 WeakPolarHBondContact CA-O 3.48Å; Y333-G361 WeakPolarHBondContact OH-CA 3.47Å; Y333-G361 PolarHBondContact OH-N 2.7Å; Y333-V405 HydrophobicContact CE1-CB 3.91Å; Y333-V405 HydrophobicContact CE1-CG2 3.7Å; Y333-F407 HydrophobicContact CD1-CE2 4.01Å; Y333-F407 AromaticContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD2-CZ 4.36Å; Y333-F407 HydrophobicContact CE1-CE2 4.46Å; Y333-F407 AromaticContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CG-CE2 4.48Å; Y333-F407 AromaticContact CG-CZ 3.86Å; Y333-F407 HydrophobicContact CG-CZ 3.86Å |
| 334 | N | 95.8 | Very high | 89.7 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112.7 | 170.7 | -65.3 | -6.5 | 0 | 0 | 0 | 107.6 | G357 V358 | N334-G357 CarbonylContact O-C 3.59Å; N334-G357 WeakPolarHBondContact O-CA 3.37Å; N334-V358 PolarHBondContact N-O 2.78Å; N334-V358 PolarHBondContact O-N 2.76Å |
| 335 | L | 97.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 141.5 | 173.4 | -66 | -175.9 | 0 | 0 | 0 | 109.9 | A311 P313 Y355 L372 F407 | A311-L335 HydrophobicContact CB-CD1 3.47Å; A311-L335 VanDerWaalsContact CB-CD1 3.47Å; P313-L335 VanDerWaalsContact CA-O 3.27Å; P313-L335 WeakPolarHBondContact CA-O 3.47Å; P313-L335 VanDerWaalsContact CB-O 3.31Å; P313-L335 WeakPolarHBondContact CB-O 3.32Å; L335-Y355 HydrophobicContact CD1-CD1 4.49Å; L335-L372 HydrophobicContact CD2-CD2 4.01Å; L335-F407 HydrophobicContact CD2-CD2 4.2Å; L335-F407 HydrophobicContact CD2-CE2 4.26Å |
| 336 | L | 96.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 150.9 | 179.1 | -58.4 | -174.7 | 0 | 0 | 0 | 111.5 | E340 C356 V358 L404 | L336-E340 HydrophobicContact CB-CB 4.37Å; L336-E340 HydrophobicContact CD1-CG 4.14Å; L336-C356 PolarHBondContact N-O 2.89Å; L336-V358 HydrophobicContact CD1-CG2 3.9Å; L336-V358 HydrophobicContact CD2-CG2 4.13Å; L336-V358 HydrophobicContact CG-CG2 4.15Å; L336-L404 HydrophobicContact CD1-CD1 3.59Å |
| 337 | P | 96.1 | Very high | 91.4 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 145.1 | 168.2 | -26.5 | 36.5 | 0 | 0 | 0 | 112.2 | P313 N339 E340 C341 | P313-P337 HydrophobicContact CB-CG 4.07Å; P313-P337 HydrophobicContact CG-CB 4.23Å; P313-P337 HydrophobicContact CG-CG 3.86Å; P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.31Å; P337-N339 PolarHBondContact O-N 2.03Å; P337-E340 HydrophobicContact CB-CB 4.41Å; P337-E340 WeakPolarHBondContact O-CA 3.38Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.91Å; P337-C341 PolarHBondContact O-N 3.03Å |
| 338 | Q | 94.3 | Very high | 91.7 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -35.8 | -174.7 | -62.4 | -178.1 | 13.9 | 0 | 0 | 113.4 | E340 C341 A342 Y349 P351 | Q338-E340 VanDerWaalsContact C-N 3.35Å; Q338-C341 PolarHBondContact O-N 3.28Å; Q338-A342 WeakPolarHBondContact O-CB 3.47Å; Q338-A342 PolarHBondContact O-N 3.09Å; Q338-Y349 HydrophobicContact CB-CE1 4.15Å; Q338-Y349 HydrophobicContact CG-CE1 4.48Å; Q338-P351 HydrophobicContact CB-CB 4.44Å; Q338-P351 HydrophobicContact CG-CB 4.15Å; Q338-P351 VanDerWaalsContact OE1-CB 3.3Å |
| 339 | N | 94.5 | Very high | 91.9 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 57% | 0.567 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.6 | -27.6 | 174.9 | 62.4 | -20.9 | 0 | 0 | 0 | 112.9 | P337 R343 | P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.31Å; P337-N339 PolarHBondContact O-N 2.03Å; N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.26Å; N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 2.96Å; N339-R343 PolarHBondContact O-NE 2.82Å |
| 340 | E | 95.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76 | -42.6 | 170.5 | -168.7 | 177.1 | 164.6 | 0 | 0 | 111.3 | L336 P337 Q338 A342 R343 R344 | L336-E340 HydrophobicContact CB-CB 4.37Å; L336-E340 HydrophobicContact CD1-CG 4.14Å; P337-E340 HydrophobicContact CB-CB 4.41Å; P337-E340 WeakPolarHBondContact O-CA 3.38Å; P337-E340 WeakPolarHBondContact O-CB 3.36Å; P337-E340 PolarHBondContact O-N 2.91Å; Q338-E340 VanDerWaalsContact C-N 3.35Å; E340-A342 PolarHBondContact O-N 3.32Å; E340-R343 PolarHBondContact O-N 2.87Å; E340-R344 HydrophobicContact CG-CG 4.29Å; E340-R344 WeakPolarHBondContact O-CB 3.38Å; E340-R344 WeakPolarHBondContact O-CG 3.24Å; E340-R344 PolarHBondContact O-N 2.97Å; E340-R344 IonicContact OE1-CZ 2.76Å; E340-R344 IonicContact OE1-NE 3.5Å; E340-R344 PolarHBondContact OE1-NE 3Å; E340-R344 IonicContact OE1-NH2 2.73Å; E340-R344 PolarHBondContact OE1-NH2 2.82Å |
| 341 | C | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.4 | -53.1 | 171 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | P337 Q338 R343 R344 L345 Y349 C356 | P337-C341 PolarHBondContact O-N 3.03Å; Q338-C341 PolarHBondContact O-N 3.28Å; C341-R343 PolarHBondContact O-N 2.8Å; C341-R344 PolarHBondContact O-N 3.13Å; C341-L345 HydrophobicContact CB-CD1 4.32Å; C341-L345 VanDerWaalsContact O-CB 3.24Å; C341-L345 WeakPolarHBondContact O-CB 3.07Å; C341-L345 WeakPolarHBondContact O-CD1 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.28Å; C341-L345 WeakPolarHBondContact O-CG 3.18Å; C341-L345 PolarHBondContact O-N 3.47Å; C341-Y349 HydrophobicContact CB-CD1 3.53Å; C341-Y349 HydrophobicContact CB-CD2 3.97Å; C341-Y349 HydrophobicContact CB-CE1 3.4Å; C341-Y349 HydrophobicContact CB-CE2 3.85Å; C341-Y349 HydrophobicContact CB-CG 3.81Å; C341-C356 WeakPolarHBondContact CA-SG 3.39Å; C341-C356 HydrophobicContact CB-CB 3.91Å; C341-C356 WeakPolarHBondContact CB-SG 3.41Å; C341-C356 WeakPolarHBondContact SG-CB 3.13Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 2.93Å |
| 342 | A | 93.2 | Very high | 91.3 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q338 E340 L345 N346 Y347 Y349 | Q338-A342 WeakPolarHBondContact O-CB 3.47Å; Q338-A342 PolarHBondContact O-N 3.09Å; E340-A342 PolarHBondContact O-N 3.32Å; A342-L345 PolarHBondContact O-N 3.45Å; A342-N346 PolarHBondContact O-N 3.12Å; A342-Y347 HydrophobicContact CB-CD1 3.99Å; A342-Y347 HydrophobicContact CB-CE1 4.29Å; A342-Y347 WeakPolarHBondContact O-CA 2.99Å; A342-Y347 PolarHBondContact O-N 3.23Å; A342-Y349 HydrophobicContact CB-CD1 4.34Å |
| 343 | R | 94.4 | Very high | 90.9 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 177.7 | -73.5 | -177.8 | -56.3 | 156.9 | 7.2 | 113.1 | N339 E340 C341 L345 | N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.26Å; N339-R343 WeakPolarHBondContact O-CG 3.37Å; N339-R343 PolarHBondContact O-N 2.96Å; N339-R343 PolarHBondContact O-NE 2.82Å; E340-R343 PolarHBondContact O-N 2.87Å; C341-R343 PolarHBondContact O-N 2.8Å; R343-L345 VanDerWaalsContact C-N 3.34Å |
| 344 | R | 94.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.4 | -30 | 179.3 | -71.6 | -174.6 | -177.2 | -82.9 | 3.5 | 112.5 | E340 C341 A393 N394 T396 L404 | E340-R344 HydrophobicContact CG-CG 4.29Å; E340-R344 WeakPolarHBondContact O-CB 3.38Å; E340-R344 WeakPolarHBondContact O-CG 3.24Å; E340-R344 PolarHBondContact O-N 2.97Å; E340-R344 IonicContact OE1-CZ 2.76Å; E340-R344 IonicContact OE1-NE 3.5Å; E340-R344 PolarHBondContact OE1-NE 3Å; E340-R344 IonicContact OE1-NH2 2.73Å; E340-R344 PolarHBondContact OE1-NH2 2.82Å; C341-R344 PolarHBondContact O-N 3.13Å; R344-A393 CarbonylContact O-C 3.55Å; R344-A393 WeakPolarHBondContact O-CA 3.22Å; R344-A393 WeakPolarHBondContact O-CB 3.05Å; R344-N394 PolarHBondContact NH1-O 3.42Å; R344-N394 VanDerWaalsContact NH1-O 3.12Å; R344-N394 PolarHBondContact O-N 2.9Å; R344-T396 PolarHBondContact NH1-O 2.8Å; R344-L404 HydrophobicContact CB-CD2 3.92Å |
| 345 | L | 90.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 17.3 | -177.4 | -64.1 | 164 | 0 | 0 | 0 | 112.9 | C341 A342 R343 Y347 E348 Y349 C356 A390 A393 L404 L406 | C341-L345 HydrophobicContact CB-CD1 4.32Å; C341-L345 VanDerWaalsContact O-CB 3.24Å; C341-L345 WeakPolarHBondContact O-CB 3.07Å; C341-L345 WeakPolarHBondContact O-CD1 3.38Å; C341-L345 VanDerWaalsContact O-CG 3.28Å; C341-L345 WeakPolarHBondContact O-CG 3.18Å; C341-L345 PolarHBondContact O-N 3.47Å; A342-L345 PolarHBondContact O-N 3.45Å; R343-L345 VanDerWaalsContact C-N 3.34Å; L345-Y347 PolarHBondContact O-N 3.03Å; L345-Y347 VanDerWaalsContact O-N 3.13Å; L345-E348 WeakPolarHBondContact O-CB 3.46Å; L345-E348 PolarHBondContact O-N 3.47Å; L345-Y349 HydrophobicContact CD1-CD2 3.64Å; L345-Y349 HydrophobicContact CD1-CG 3.9Å; L345-C356 HydrophobicContact CD1-CB 4.24Å; L345-A390 HydrophobicContact CD2-CB 3.5Å; L345-A390 VanDerWaalsContact CD2-CB 3.5Å; L345-A393 HydrophobicContact CD2-CB 4.02Å; L345-L404 HydrophobicContact CD2-CD2 3.9Å; L345-L404 HydrophobicContact CG-CD2 4.13Å; L345-L406 HydrophobicContact CD1-CD2 3.72Å |
| 346 | N | 88 | Confident | 90.6 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.3 | -178.8 | -53.4 | -48.2 | 0 | 0 | 0 | 113.6 | A342 E348 H392 | A342-N346 PolarHBondContact O-N 3.12Å; N346-E348 PolarHBondContact O-N 3.08Å; N346-H392 PolarHBondContact ND2-O 2.92Å |
| 347 | Y | 82.8 | Confident | 90.6 | Very high | 182 Ų | 182 | 60.1 Ų | 60.1 | 71% | 0.714 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 5.8 | -173.8 | -54 | -87.1 | 0 | 0 | 0 | 116.1 | A342 L345 Y349 | A342-Y347 HydrophobicContact CB-CD1 3.99Å; A342-Y347 HydrophobicContact CB-CE1 4.29Å; A342-Y347 WeakPolarHBondContact O-CA 2.99Å; A342-Y347 PolarHBondContact O-N 3.23Å; L345-Y347 PolarHBondContact O-N 3.03Å; L345-Y347 VanDerWaalsContact O-N 3.13Å; Y347-Y349 PolarHBondContact O-N 3.06Å |
| 348 | E | 81.8 | Confident | 90.5 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -80 | 56.9 | 167.9 | -57.4 | -172 | -178 | 0 | 0 | 111.1 | L274 G275 L345 N346 | L274-E348 HydrophobicContact CD2-CB 4.23Å; G275-E348 WeakPolarHBondContact CA-OE1 3.47Å; G275-E348 PolarHBondContact N-OE1 3.15Å; G275-E348 VanDerWaalsContact N-OE1 3.13Å; G275-E348 PolarHBondContact N-OE2 3.16Å; L345-E348 WeakPolarHBondContact O-CB 3.46Å; L345-E348 PolarHBondContact O-N 3.47Å; N346-E348 PolarHBondContact O-N 3.08Å | ||
| 349 | Y | 84.7 | Confident | 90.5 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | trans | -138 | 128.8 | -177.2 | 174.2 | -116.7 | 0 | 0 | 0 | 111.2 | Q338 C341 A342 L345 Y347 P351 Q354 C356 L406 | Q338-Y349 HydrophobicContact CB-CE1 4.15Å; Q338-Y349 HydrophobicContact CG-CE1 4.48Å; C341-Y349 HydrophobicContact CB-CD1 3.53Å; C341-Y349 HydrophobicContact CB-CD2 3.97Å; C341-Y349 HydrophobicContact CB-CE1 3.4Å; C341-Y349 HydrophobicContact CB-CE2 3.85Å; C341-Y349 HydrophobicContact CB-CG 3.81Å; A342-Y349 HydrophobicContact CB-CD1 4.34Å; L345-Y349 HydrophobicContact CD1-CD2 3.64Å; L345-Y349 HydrophobicContact CD1-CG 3.9Å; Y347-Y349 PolarHBondContact O-N 3.06Å; Y349-P351 HydrophobicContact CD1-CB 4.43Å; Y349-P351 HydrophobicContact CE1-CB 3.73Å; Y349-P351 HydrophobicContact CE1-CG 4.34Å; Y349-P351 WeakPolarHBondContact O-CD 3.38Å; Y349-Q354 HydrophobicContact CD2-CB 4.28Å; Y349-Q354 HydrophobicContact CE2-CB 3.82Å; Y349-Q354 PolarHBondContact OH-O 3.19Å; Y349-C356 HydrophobicContact CE2-CB 4.29Å; Y349-L406 HydrophobicContact CD2-CD2 4.19Å | ||
| 350 | Y | 85.9 | Confident | 90.2 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | trans | -109.1 | 86.6 | -176.7 | -67.7 | -80.3 | 0 | 0 | 0 | 111.5 | L272 R273 N352 F353 Q354 | L272-Y350 HydrophobicContact CB-CD2 4.11Å; L272-Y350 HydrophobicContact CB-CE2 4.02Å; L272-Y350 HydrophobicContact CD1-CD2 4.1Å; L272-Y350 HydrophobicContact CD2-CD1 4.49Å; L272-Y350 HydrophobicContact CD2-CD2 3.94Å; L272-Y350 HydrophobicContact CD2-CE2 4.36Å; L272-Y350 HydrophobicContact CD2-CG 4Å; L272-Y350 HydrophobicContact CG-CD2 4.27Å; R273-Y350 PolarHBondContact O-OH 3.31Å; Y350-N352 PolarHBondContact O-N 3Å; Y350-F353 PolarHBondContact O-N 2.85Å; Y350-Q354 PolarHBondContact O-N 2.79Å | ||
| 351 | P | 86.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.2 | -173.9 | 22.4 | -33.9 | 0 | 0 | 0 | 114.5 | Q338 Y349 F353 K409 | Q338-P351 HydrophobicContact CB-CB 4.44Å; Q338-P351 HydrophobicContact CG-CB 4.15Å; Q338-P351 VanDerWaalsContact OE1-CB 3.3Å; Y349-P351 HydrophobicContact CD1-CB 4.43Å; Y349-P351 HydrophobicContact CE1-CB 3.73Å; Y349-P351 HydrophobicContact CE1-CG 4.34Å; Y349-P351 WeakPolarHBondContact O-CD 3.38Å; P351-F353 VanDerWaalsContact C-N 3.34Å; P351-K409 WeakPolarHBondContact O-CE 3.3Å; P351-K409 PolarHBondContact O-NZ 2.89Å |
| 352 | N | 82.4 | Confident | 88.4 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 71% | 0.711 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.7 | 176 | -67 | -12.2 | 0 | 0 | 0 | 112.7 | Y350 | Y350-N352 PolarHBondContact O-N 3Š|
| 353 | F | 85.1 | Confident | 87.9 | Confident | 82 Ų | 82 | 61 Ų | 61 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -21.2 | -174.5 | -53.3 | -58.8 | 0 | 0 | 0 | 113.2 | L270 L272 Y350 P351 M408 K409 | L270-F353 HydrophobicContact CD1-CB 4.33Å; L270-F353 HydrophobicContact CD1-CD1 3.71Å; L270-F353 HydrophobicContact CD1-CE1 4.29Å; L270-F353 HydrophobicContact CD1-CG 4.11Å; L272-F353 HydrophobicContact CD2-CD2 3.87Å; Y350-F353 PolarHBondContact O-N 2.85Å; P351-F353 VanDerWaalsContact C-N 3.34Å; F353-M408 HydrophobicContact CB-CE 4.19Å; F353-M408 HydrophobicContact CB-SD 4.21Å; F353-K409 WeakPolarHBondContact O-CB 3.45Å; F353-K409 WeakPolarHBondContact O-CG 3.45Å; F353-K409 PolarHBondContact O-N 3.32Å |
| 354 | Q | 90.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149 | -173.2 | -66.1 | 171.2 | -43.6 | 0 | 0 | 112 | L272 Y349 Y350 F407 M408 K409 | L272-Q354 HydrophobicContact CD1-CG 4.16Å; Y349-Q354 HydrophobicContact CD2-CB 4.28Å; Y349-Q354 HydrophobicContact CE2-CB 3.82Å; Y349-Q354 PolarHBondContact OH-O 3.19Å; Y350-Q354 PolarHBondContact O-N 2.79Å; Q354-F407 CarbonylContact C-O 3.48Å; Q354-F407 WeakPolarHBondContact CA-O 3.06Å; Q354-M408 HydrophobicContact CG-CE 4.36Å; Q354-K409 VanDerWaalsContact O-CE 3.31Å; Q354-K409 WeakPolarHBondContact O-CE 3.18Å |
| 355 | Y | 95.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 159.9 | 149.9 | -57.1 | -75.3 | 0 | 0 | 0 | 108.4 | S310 A311 L335 V383 A384 F407 K409 | S310-Y355 WeakPolarHBondContact CA-OH 3.27Å; A311-Y355 HydrophobicContact CB-CE1 4Å; A311-Y355 HydrophobicContact CB-CE2 4.26Å; A311-Y355 PolarHBondContact N-OH 3.49Å; A311-Y355 WeakPolarHBondContact O-CE1 3.36Å; L335-Y355 HydrophobicContact CD1-CD1 4.49Å; Y355-V383 HydrophobicContact CE2-CB 4.25Å; Y355-V383 HydrophobicContact CE2-CG2 4.21Å; Y355-A384 HydrophobicContact CD2-CB 4.06Å; Y355-A384 HydrophobicContact CE2-CB 4.35Å; Y355-F407 PolarHBondContact N-O 2.93Å; Y355-F407 PolarHBondContact O-N 3.02Å; Y355-K409 HydrophobicContact CD2-CG 3.83Å; Y355-K409 VanDerWaalsContact CE1-CE 3.46Å; Y355-K409 HydrophobicContact CE2-CD 4.19Å; Y355-K409 HydrophobicContact CE2-CG 3.57Å; Y355-K409 VanDerWaalsContact CZ-CE 3.48Å |
| 356 | C | 95.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.3 | 159.5 | 91.3 | 0 | 0 | 0 | 0 | 110.4 | L336 C341 L345 Y349 V405 L406 | L336-C356 PolarHBondContact N-O 2.89Å; C341-C356 WeakPolarHBondContact CA-SG 3.39Å; C341-C356 HydrophobicContact CB-CB 3.91Å; C341-C356 WeakPolarHBondContact CB-SG 3.41Å; C341-C356 WeakPolarHBondContact SG-CB 3.13Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 2.93Å; L345-C356 HydrophobicContact CD1-CB 4.24Å; Y349-C356 HydrophobicContact CE2-CB 4.29Å; C356-V405 VanDerWaalsContact CA-O 3.24Å; C356-V405 WeakPolarHBondContact CA-O 3.49Å; C356-L406 HydrophobicContact CB-CD2 4.23Å |
| 357 | G | 96.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 168.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | N334 V405 | N334-G357 CarbonylContact O-C 3.59Å; N334-G357 WeakPolarHBondContact O-CA 3.37Å; G357-V405 PolarHBondContact N-O 3.46Å; G357-V405 PolarHBondContact O-N 2.81Å |
| 358 | V | 95.9 | Very high | 87.6 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.8 | -177.4 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | Y333 N334 L336 I398 N402 T403 L404 | Y333-V358 WeakPolarHBondContact CA-O 3.48Å; N334-V358 PolarHBondContact N-O 2.78Å; N334-V358 PolarHBondContact O-N 2.76Å; L336-V358 HydrophobicContact CD1-CG2 3.9Å; L336-V358 HydrophobicContact CD2-CG2 4.13Å; L336-V358 HydrophobicContact CG-CG2 4.15Å; V358-I398 HydrophobicContact CG1-CG2 3.76Å; V358-I398 HydrophobicContact CG2-CD1 3.94Å; V358-I398 HydrophobicContact CG2-CG1 4.37Å; V358-N402 HydrophobicContact CG1-CB 3.71Å; V358-T403 WeakPolarHBondContact CA-O 3.32Å; V358-L404 HydrophobicContact CG2-CD1 3.7Å |
| 359 | G | 93.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G361 N402 T403 | G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 2.92Å; G359-N402 WeakPolarHBondContact O-CA 3.48Å; G359-T403 PolarHBondContact N-O 3.44Å; G359-T403 PolarHBondContact O-N 2.71Å; G359-T403 PolarHBondContact O-OG1 3.31Å |
| 360 | R | 88.5 | Confident | 88.6 | Confident | 111 Ų | 111 | 41 Ų | 41 | 42% | 0.419 | 20% | 0.197 | S | C | . | . | trans | -82.1 | 66.8 | -176.3 | -65.2 | -176.2 | -175.2 | 169 | 2.1 | 112.4 | V331 K362 D363 N402 | V331-R360 HydrophobicContact CG1-CB 4.13Å; R360-K362 PolarHBondContact O-N 3.17Å; R360-D363 WeakPolarHBondContact CB-OD2 3.16Å; R360-D363 PolarHBondContact O-N 3.41Å; R360-D363 VanDerWaalsContact O-N 3.17Å; R360-N402 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 361 | G | 72.6 | Confident | 89.1 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.8 | -16.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y333 G359 D363 | Y333-G361 WeakPolarHBondContact OH-CA 3.47Å; Y333-G361 PolarHBondContact OH-N 2.7Å; G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 2.92Å; G361-D363 PolarHBondContact O-N 3.48Å |
| 362 | K | 79.8 | Confident | 89.6 | Confident | 141 Ų | 141 | 35.7 Ų | 35.7 | 61% | 0.613 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -70 | -18.3 | 177.4 | -61.5 | 175 | -173.6 | 164.9 | 0 | 113.1 | R360 L364 | R360-K362 PolarHBondContact O-N 3.17Å; K362-L364 PolarHBondContact O-N 3.22Å |
| 363 | D | 83.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 29.3 Ų | 29.3 | 43% | 0.433 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -76.4 | -9.9 | -177.6 | -60.2 | -12.8 | 0 | 0 | 0 | 112.8 | S323 V331 R360 G361 | S323-D363 WeakPolarHBondContact CA-O 3.49Å; V331-D363 HydrophobicContact CG2-CB 3.95Å; R360-D363 WeakPolarHBondContact CB-OD2 3.16Å; R360-D363 PolarHBondContact O-N 3.41Å; R360-D363 VanDerWaalsContact O-N 3.17Å; G361-D363 PolarHBondContact O-N 3.48Å |
| 364 | L | 88.2 | Confident | 90.7 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | -176.5 | -62.2 | 177.7 | 0 | 0 | 0 | 112.3 | V319 I322 V331 K362 V367 | V319-L364 HydrophobicContact CB-CD1 4.11Å; V319-L364 HydrophobicContact CG1-CD1 3.63Å; I322-L364 CarbonylContact O-C 3.52Å; I322-L364 WeakPolarHBondContact O-CA 3.5Å; V331-L364 HydrophobicContact CB-CD1 4.18Å; V331-L364 HydrophobicContact CG2-CD1 3.85Å; V331-L364 HydrophobicContact CG2-CD2 4.02Å; V331-L364 HydrophobicContact CG2-CG 3.7Å; K362-L364 PolarHBondContact O-N 3.22Å; L364-V367 HydrophobicContact CB-CB 3.82Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 3.67Å; L364-V367 HydrophobicContact CG-CG2 4.38Å |
| 365 | F | 83.6 | Confident | 90.8 | Very high | 71 Ų | 71 | 27.2 Ų | 27.2 | 31% | 0.311 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.2 | 174.4 | -178 | -110.9 | 0 | 0 | 0 | 110.8 | I322 V367 | I322-F365 PolarHBondContact O-N 2.88Å; F365-V367 PolarHBondContact O-N 3.38Å; F365-V367 VanDerWaalsContact O-N 3.11Å |
| 366 | N | 86.2 | Confident | 90.6 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 15% | 0.15 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 38.6 | 176.1 | -69.3 | -2.2 | 0 | 0 | 0 | 113.9 | E199 G201 C202 T203 T368 | E199-N366 PolarHBondContact O-OD1 2.9Å; G201-N366 VanDerWaalsContact CA-ND2 3.3Å; G201-N366 WeakPolarHBondContact CA-ND2 3.38Å; G201-N366 PolarHBondContact N-ND2 3.3Å; G201-N366 VanDerWaalsContact N-ND2 3.18Å; G201-N366 VanDerWaalsContact O-CB 3.28Å; G201-N366 WeakPolarHBondContact O-CB 3.25Å; C202-N366 CarbonylContact C-O 3.59Å; T203-N366 PolarHBondContact N-O 3.23Å; T203-N366 PolarHBondContact OG1-O 2.87Å; N366-T368 VanDerWaalsContact C-N 3.28Å; N366-T368 PolarHBondContact O-N 3.26Å |
| 367 | V | 92.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | trans | -68.7 | -18.3 | -166.7 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | V319 L364 F365 G369 A370 Y386 | V319-V367 HydrophobicContact CG1-CG2 3.84Å; L364-V367 HydrophobicContact CB-CB 3.82Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 3.67Å; L364-V367 HydrophobicContact CG-CG2 4.38Å; F365-V367 PolarHBondContact O-N 3.38Å; F365-V367 VanDerWaalsContact O-N 3.11Å; V367-G369 PolarHBondContact O-N 3.41Å; V367-A370 HydrophobicContact CG2-CB 3.94Å; V367-A370 WeakPolarHBondContact O-CB 3.43Å; V367-A370 PolarHBondContact O-N 2.96Å; V367-Y386 HydrophobicContact CG1-CD1 3.86Å; V367-Y386 HydrophobicContact CG1-CD2 4.31Å; V367-Y386 HydrophobicContact CG1-CE1 3.5Å; V367-Y386 VanDerWaalsContact CG1-CE1 3.5Å; V367-Y386 HydrophobicContact CG1-CE2 3.95Å; V367-Y386 HydrophobicContact CG1-CG 4.27Å; V367-Y386 HydrophobicContact CG2-CD1 4.26Å; V367-Y386 HydrophobicContact CG2-CD2 3.55Å; V367-Y386 HydrophobicContact CG2-CE1 4.49Å; V367-Y386 HydrophobicContact CG2-CE2 3.79Å; V367-Y386 HydrophobicContact CG2-CG 3.81Å; V367-Y386 WeakPolarHBondContact O-CB 2.99Å | ||
| 368 | T | 92.1 | Very high | 89.7 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 128.4 | 174.7 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | C202 T203 F221 N366 A370 | C202-T368 WeakPolarHBondContact CB-O 3.23Å; T203-T368 PolarHBondContact N-O 3.19Å; F221-T368 HydrophobicContact CD1-CG2 3.95Å; N366-T368 VanDerWaalsContact C-N 3.28Å; N366-T368 PolarHBondContact O-N 3.26Å; T368-A370 VanDerWaalsContact C-N 3.33Å |
| 369 | G | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T203 V367 F385 Y386 | T203-G369 CarbonylContact O-C 3.53Å; T203-G369 VanDerWaalsContact O-CA 3.3Å; T203-G369 WeakPolarHBondContact O-CA 3.33Å; V367-G369 PolarHBondContact O-N 3.41Å; G369-F385 WeakPolarHBondContact O-CD1 3.37Å; G369-Y386 PolarHBondContact N-O 3.23Å |
| 370 | A | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 141.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T203 V319 V367 T368 L372 F385 Y386 | T203-A370 HydrophobicContact CG2-CB 3.77Å; V319-A370 HydrophobicContact CG1-CB 3.77Å; V367-A370 HydrophobicContact CG2-CB 3.94Å; V367-A370 WeakPolarHBondContact O-CB 3.43Å; V367-A370 PolarHBondContact O-N 2.96Å; T368-A370 VanDerWaalsContact C-N 3.33Å; A370-L372 PolarHBondContact O-N 3.18Å; A370-F385 CarbonylContact O-C 3.47Å; A370-F385 WeakPolarHBondContact O-CA 3.45Å; A370-Y386 PolarHBondContact O-N 3.02Å |
| 371 | P | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.4 | 175.5 | 28.7 | -37.1 | 0 | 0 | 0 | 111.5 | I187 I205 I320 V373 Q382 | I187-P371 HydrophobicContact CD1-CG 3.75Å; I205-P371 HydrophobicContact CB-CG 4.14Å; I205-P371 HydrophobicContact CD1-CB 4.45Å; I205-P371 HydrophobicContact CD1-CG 4.11Å; I205-P371 HydrophobicContact CG2-CB 4.27Å; I205-P371 HydrophobicContact CG2-CG 4.33Å; I320-P371 HydrophobicContact CB-CG 4.36Å; I320-P371 PolarHBondContact N-O 2.92Å; I320-P371 WeakPolarHBondContact O-CD 3.42Å; P371-V373 HydrophobicContact CB-CG1 4.3Å; P371-Q382 HydrophobicContact CB-CG 3.85Å |
| 372 | L | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.3 | 156.9 | 179.2 | 71.6 | 0 | 0 | 0 | 107.9 | C317 V319 L335 A370 Q382 V383 A384 F407 | C317-L372 HydrophobicContact CB-CD1 4.12Å; V319-L372 HydrophobicContact CG2-CD1 3.82Å; L335-L372 HydrophobicContact CD2-CD2 4.01Å; A370-L372 PolarHBondContact O-N 3.18Å; L372-Q382 WeakPolarHBondContact O-CA 3.45Å; L372-V383 HydrophobicContact CB-CG2 4.35Å; L372-V383 HydrophobicContact CD2-CG2 3.74Å; L372-V383 HydrophobicContact CG-CG2 3.9Å; L372-V383 PolarHBondContact O-N 2.97Å; L372-A384 HydrophobicContact CB-CB 4.11Å; L372-A384 HydrophobicContact CD2-CB 4.15Å; L372-A384 PolarHBondContact N-O 3.29Å; L372-F407 HydrophobicContact CB-CD1 3.92Å; L372-F407 HydrophobicContact CB-CE1 4.28Å; L372-F407 HydrophobicContact CD1-CD1 4.33Å; L372-F407 HydrophobicContact CD1-CE1 4.02Å; L372-F407 HydrophobicContact CD1-CZ 4.19Å; L372-F407 HydrophobicContact CD2-CB 4.1Å; L372-F407 HydrophobicContact CD2-CD1 3.93Å; L372-F407 HydrophobicContact CD2-CD2 4.07Å; L372-F407 HydrophobicContact CD2-CE1 4.38Å; L372-F407 HydrophobicContact CD2-CE2 4.49Å; L372-F407 HydrophobicContact CD2-CG 3.76Å; L372-F407 HydrophobicContact CG-CD1 4.27Å; L372-F407 HydrophobicContact CG-CE1 4.46Å |
| 373 | V | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.1 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | L182 Y302 C317 Y318 I320 P371 W380 K381 Q382 | L182-V373 HydrophobicContact CD1-CG2 4.06Å; L182-V373 HydrophobicContact CD2-CG2 4.49Å; Y302-V373 HydrophobicContact CD1-CB 4.45Å; Y302-V373 HydrophobicContact CD1-CG1 4.11Å; Y302-V373 HydrophobicContact CD2-CG1 3.44Å; Y302-V373 VanDerWaalsContact CD2-CG1 3.44Å; Y302-V373 HydrophobicContact CE1-CG1 4.32Å; Y302-V373 HydrophobicContact CE1-CG2 4.47Å; Y302-V373 HydrophobicContact CE2-CG1 3.69Å; Y302-V373 HydrophobicContact CG-CB 4.45Å; Y302-V373 HydrophobicContact CG-CG1 3.67Å; C317-V373 CarbonylContact C-O 3.55Å; C317-V373 WeakPolarHBondContact CA-O 3.24Å; Y318-V373 PolarHBondContact N-O 3.44Å; Y318-V373 WeakPolarHBondContact O-CG2 3.34Å; Y318-V373 PolarHBondContact O-N 3.28Å; I320-V373 HydrophobicContact CD1-CG1 4.05Å; I320-V373 HydrophobicContact CD1-CG2 3.69Å; I320-V373 HydrophobicContact CG1-CG2 4.22Å; P371-V373 HydrophobicContact CB-CG1 4.3Å; V373-W380 HydrophobicContact CG2-CE3 4.46Å; V373-K381 CarbonylContact C-O 3.59Å; V373-K381 WeakPolarHBondContact CA-O 3.16Å; V373-Q382 HydrophobicContact CG1-CB 4.3Å |
| 374 | C | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153 | 178.6 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | A311 S316 C317 I376 K381 V383 | A311-C374 HydrophobicContact CB-CB 4.33Å; S316-C374 WeakPolarHBondContact O-CA 3.14Å; C317-C374 HydrophobicContact CB-CB 4.16Å; C317-C374 WeakPolarHBondContact CB-SG 3.1Å; C317-C374 WeakPolarHBondContact SG-CB 3.07Å; C317-C374 CovalentContact SG-SG 2.04Å; C317-C374 PolarHBondContact SG-SG 3.28Å; C374-I376 HydrophobicContact CB-CG1 4.38Å; C374-I376 PolarHBondContact O-N 2.79Å; C374-K381 PolarHBondContact N-O 3.2Å; C374-K381 PolarHBondContact O-N 3.36Å; C374-V383 HydrophobicContact CB-CG1 4.11Å; C374-V383 HydrophobicContact CB-CG2 4.38Å |
| 375 | N | 92.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 97.8 | 172.1 | -171.9 | -7.2 | 0 | 0 | 0 | 109.9 | S316 R378 K379 W380 | S316-N375 PolarHBondContact O-N 2.67Å; N375-R378 WeakPolarHBondContact OD1-CA 3.42Å; N375-R378 PolarHBondContact OD1-N 3.43Å; N375-K379 PolarHBondContact OD1-N 2.8Å; N375-W380 HydrophobicContact CB-CD2 4.3Å; N375-W380 HydrophobicContact CB-CE3 3.98Å; N375-W380 HydrophobicContact CB-CH2 3.75Å; N375-W380 HydrophobicContact CB-CZ2 4.13Å; N375-W380 HydrophobicContact CB-CZ3 3.7Å |
| 376 | I | 90.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.6 | 176.6 | -64.1 | -178.5 | 0 | 0 | 0 | 107.8 | M315 C374 R378 K379 K381 V383 | M315-I376 HydrophobicContact CE-CG1 4.35Å; M315-I376 HydrophobicContact SD-CG1 3.97Å; C374-I376 HydrophobicContact CB-CG1 4.38Å; C374-I376 PolarHBondContact O-N 2.79Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.39Å; I376-K379 PolarHBondContact N-O 2.87Å; I376-K379 PolarHBondContact O-N 2.85Å; I376-K379 VanDerWaalsContact O-O 3.04Å; I376-K381 HydrophobicContact CB-CD 4.38Å; I376-K381 HydrophobicContact CB-CG 4.44Å; I376-V383 HydrophobicContact CD1-CG1 3.55Å |
| 377 | H | 87.5 | Confident | 92.9 | Very high | 162 Ų | 162 | 32.7 Ų | 32.7 | 75% | 0.75 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 44.2 | 175.1 | -61.6 | -148.1 | 0 | 0 | 0 | 112.6 | K379 | H377-K379 PolarHBondContact O-N 2.83Š|
| 378 | R | 86 | Confident | 92.8 | Very high | 235 Ų | 235 | 34.4 Ų | 34.4 | 89% | 0.887 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 18.6 | -175.8 | -56.2 | -179.4 | 175.9 | 177.4 | -2.8 | 114.7 | N375 I376 | N375-R378 WeakPolarHBondContact OD1-CA 3.42Å; N375-R378 PolarHBondContact OD1-N 3.43Å; I376-R378 VanDerWaalsContact C-N 3.32Å; I376-R378 PolarHBondContact O-N 3.39Å |
| 379 | K | 89.2 | Confident | 92.8 | Very high | 137 Ų | 137 | 35.9 Ų | 35.9 | 60% | 0.596 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.7 | 174 | -65.4 | -177.3 | -179.8 | 178.7 | 0 | 110.2 | N375 I376 H377 K381 | N375-K379 PolarHBondContact OD1-N 2.8Å; I376-K379 PolarHBondContact N-O 2.87Å; I376-K379 PolarHBondContact O-N 2.85Å; I376-K379 VanDerWaalsContact O-O 3.04Å; H377-K379 PolarHBondContact O-N 2.83Å; K379-K381 PolarHBondContact O-N 3.27Å |
| 380 | W | 90.5 | Very high | 92.6 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 114.4 | 171.9 | -67.4 | 111.3 | 0 | 0 | 0 | 109.6 | G180 L182 Y302 S316 Y318 V373 N375 | G180-W380 PolarHBondContact O-NE1 3.49Å; L182-W380 HydrophobicContact CD1-CB 3.93Å; L182-W380 HydrophobicContact CD1-CD2 3.2Å; L182-W380 HydrophobicContact CD1-CE3 3.5Å; L182-W380 VanDerWaalsContact CD1-CE3 3.5Å; L182-W380 HydrophobicContact CD1-CG 3.39Å; L182-W380 HydrophobicContact CD1-CZ2 4.27Å; L182-W380 HydrophobicContact CD1-CZ3 4.15Å; Y302-W380 HydrophobicContact CD1-CB 3.65Å; Y302-W380 HydrophobicContact CE1-CB 3.69Å; Y302-W380 HydrophobicContact CE1-CG 4.49Å; S316-W380 WeakPolarHBondContact O-CZ3 3.45Å; Y318-W380 AromaticContact CD2-CH2 3.87Å; Y318-W380 HydrophobicContact CD2-CH2 3.87Å; Y318-W380 AromaticContact CD2-CZ3 3.82Å; Y318-W380 HydrophobicContact CD2-CZ3 3.82Å; Y318-W380 AromaticContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CH2 3.62Å; Y318-W380 HydrophobicContact CE2-CZ2 4.46Å; Y318-W380 HydrophobicContact CE2-CZ3 4.06Å; V373-W380 HydrophobicContact CG2-CE3 4.46Å; N375-W380 HydrophobicContact CB-CD2 4.3Å; N375-W380 HydrophobicContact CB-CE3 3.98Å; N375-W380 HydrophobicContact CB-CH2 3.75Å; N375-W380 HydrophobicContact CB-CZ2 4.13Å; N375-W380 HydrophobicContact CB-CZ3 3.7Å |
| 381 | K | 92.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.2 | 178.6 | -62.4 | -160.3 | 166.6 | -171.3 | 0 | 110.8 | S303 E309 V373 C374 I376 K379 | S303-K381 CarbonylContact O-C 3.57Å; S303-K381 VanDerWaalsContact O-CA 3.23Å; S303-K381 WeakPolarHBondContact O-CA 3.28Å; E309-K381 IonicContact OE1-NZ 3.28Å; E309-K381 PolarHBondContact OE1-NZ 3.11Å; E309-K381 WeakPolarHBondContact OE2-CD 3.43Å; E309-K381 IonicContact OE2-NZ 3.7Å; E309-K381 PolarHBondContact OE2-NZ 2.79Å; V373-K381 CarbonylContact C-O 3.59Å; V373-K381 WeakPolarHBondContact CA-O 3.16Å; C374-K381 PolarHBondContact N-O 3.2Å; C374-K381 PolarHBondContact O-N 3.36Å; I376-K381 HydrophobicContact CB-CD 4.38Å; I376-K381 HydrophobicContact CB-CG 4.44Å; K379-K381 PolarHBondContact O-N 3.27Å |
| 382 | Q | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.4 | 165.6 | -174.9 | -179.2 | -11 | 0 | 0 | 108.5 | S303 L304 S305 P371 L372 V373 L410 | S303-Q382 PolarHBondContact O-N 2.81Å; L304-Q382 HydrophobicContact CD2-CB 4.25Å; S305-Q382 WeakPolarHBondContact CB-O 3.35Å; S305-Q382 PolarHBondContact N-O 3.43Å; S305-Q382 PolarHBondContact OG-O 3.03Å; P371-Q382 HydrophobicContact CB-CG 3.85Å; L372-Q382 WeakPolarHBondContact O-CA 3.45Å; V373-Q382 HydrophobicContact CG1-CB 4.3Å; Q382-L410 HydrophobicContact CB-CD1 4.35Å; Q382-L410 HydrophobicContact CG-CD1 4.15Å; Q382-L410 HydrophobicContact CG-CD2 4.4Å; Q382-L410 WeakPolarHBondContact O-CD1 3.24Å |
| 383 | V | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -21.3 | -175.2 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | A311 Y355 L372 C374 I376 L410 | A311-V383 HydrophobicContact CB-CB 4.41Å; A311-V383 HydrophobicContact CB-CG1 4.31Å; A311-V383 HydrophobicContact CB-CG2 4.15Å; Y355-V383 HydrophobicContact CE2-CB 4.25Å; Y355-V383 HydrophobicContact CE2-CG2 4.21Å; L372-V383 HydrophobicContact CB-CG2 4.35Å; L372-V383 HydrophobicContact CD2-CG2 3.74Å; L372-V383 HydrophobicContact CG-CG2 3.9Å; L372-V383 PolarHBondContact O-N 2.97Å; C374-V383 HydrophobicContact CB-CG1 4.11Å; C374-V383 HydrophobicContact CB-CG2 4.38Å; I376-V383 HydrophobicContact CD1-CG1 3.55Å; V383-L410 PolarHBondContact O-N 2.73Å |
| 384 | A | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y355 L372 F407 M408 | Y355-A384 HydrophobicContact CD2-CB 4.06Å; Y355-A384 HydrophobicContact CE2-CB 4.35Å; L372-A384 HydrophobicContact CB-CB 4.11Å; L372-A384 HydrophobicContact CD2-CB 4.15Å; L372-A384 PolarHBondContact N-O 3.29Å; A384-F407 HydrophobicContact CB-CB 3.82Å; A384-M408 CarbonylContact C-O 3.5Å; A384-M408 WeakPolarHBondContact CA-O 3.4Å; A384-M408 WeakPolarHBondContact CB-O 3.21Å |
| 385 | F | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.1 | 162.6 | -56.4 | -77 | 0 | 0 | 0 | 110.3 | L219 F221 A284 G369 A370 D387 F407 M408 L410 L413 | L219-F385 HydrophobicContact CB-CE1 3.9Å; L219-F385 HydrophobicContact CB-CZ 3.93Å; F221-F385 HydrophobicContact CB-CB 4.13Å; F221-F385 HydrophobicContact CD2-CB 4.31Å; A284-F385 HydrophobicContact CB-CD2 4.43Å; A284-F385 HydrophobicContact CB-CE2 3.7Å; A284-F385 HydrophobicContact CB-CZ 4.5Å; G369-F385 WeakPolarHBondContact O-CD1 3.37Å; A370-F385 CarbonylContact O-C 3.47Å; A370-F385 WeakPolarHBondContact O-CA 3.45Å; F385-D387 PolarHBondContact O-N 2.75Å; F385-F407 CarbonylContact O-C 3.54Å; F385-F407 VanDerWaalsContact O-CA 3.24Å; F385-F407 WeakPolarHBondContact O-CA 3.44Å; F385-M408 PolarHBondContact N-O 3.2Å; F385-M408 PolarHBondContact O-N 2.82Å; F385-L410 HydrophobicContact CD2-CD2 3.9Å; F385-L410 HydrophobicContact CE1-CD2 4.31Å; F385-L410 HydrophobicContact CE2-CD2 3.34Å; F385-L410 HydrophobicContact CZ-CD2 3.58Å; F385-L413 HydrophobicContact CE2-CD2 3.92Å; F385-L413 HydrophobicContact CZ-CD2 3.78Å |
| 386 | Y | 95.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 120.8 | 165 | -168.2 | -69.3 | 0 | 0 | 0 | 109.3 | V319 V367 G369 A370 V389 V405 F407 | V319-Y386 HydrophobicContact CG1-CD2 4.02Å; V319-Y386 HydrophobicContact CG2-CD2 4.1Å; V367-Y386 HydrophobicContact CG1-CD1 3.86Å; V367-Y386 HydrophobicContact CG1-CD2 4.31Å; V367-Y386 HydrophobicContact CG1-CE1 3.5Å; V367-Y386 VanDerWaalsContact CG1-CE1 3.5Å; V367-Y386 HydrophobicContact CG1-CE2 3.95Å; V367-Y386 HydrophobicContact CG1-CG 4.27Å; V367-Y386 HydrophobicContact CG2-CD1 4.26Å; V367-Y386 HydrophobicContact CG2-CD2 3.55Å; V367-Y386 HydrophobicContact CG2-CE1 4.49Å; V367-Y386 HydrophobicContact CG2-CE2 3.79Å; V367-Y386 HydrophobicContact CG2-CG 3.81Å; V367-Y386 WeakPolarHBondContact O-CB 2.99Å; G369-Y386 PolarHBondContact N-O 3.23Å; A370-Y386 PolarHBondContact O-N 3.02Å; Y386-V389 WeakPolarHBondContact OH-CG2 3.19Å; Y386-V405 HydrophobicContact CD1-CG1 4.41Å; Y386-V405 HydrophobicContact CD2-CG1 3.84Å; Y386-V405 HydrophobicContact CE1-CG1 4.05Å; Y386-V405 HydrophobicContact CE2-CB 4.35Å; Y386-V405 HydrophobicContact CE2-CG1 3.46Å; Y386-V405 VanDerWaalsContact CE2-CG1 3.46Å; Y386-V405 HydrophobicContact CE2-CG2 3.98Å; Y386-V405 HydrophobicContact CG-CG1 4.3Å; Y386-V405 WeakPolarHBondContact OH-CG2 3.44Å; Y386-F407 AromaticContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CZ 4.46Å; Y386-F407 HydrophobicContact CE2-CE1 4.47Å; Y386-F407 HydrophobicContact CG-CE1 4.3Å |
| 387 | D | 91.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -77.7 | 174.6 | 177.7 | -2.3 | 0 | 0 | 0 | 109.3 | F221 R223 F385 L406 | F221-D387 HydrophobicContact CE1-CB 4.32Å; F221-D387 WeakPolarHBondContact CE1-OD1 3.3Å; F221-D387 HydrophobicContact CE2-CB 4.01Å; F221-D387 HydrophobicContact CZ-CB 3.83Å; F221-D387 VanDerWaalsContact CZ-OD1 3.3Å; F221-D387 WeakPolarHBondContact CZ-OD1 3.35Å; R223-D387 IonicContact CZ-OD1 2.78Å; R223-D387 IonicContact NH1-OD1 3.21Å; R223-D387 PolarHBondContact NH2-O 2.81Å; R223-D387 IonicContact NH2-OD1 3.4Å; R223-D387 PolarHBondContact NH2-OD1 3.13Å; F385-D387 PolarHBondContact O-N 2.75Å; D387-L406 HydrophobicContact CB-CB 4.4Å; D387-L406 WeakPolarHBondContact CB-O 3.5Å; D387-L406 PolarHBondContact N-O 3.29Å |
| 388 | Q | 90 | Very high | 90.9 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 160.4 | -173.2 | 62.9 | -172.6 | 23.2 | 0 | 0 | 113.3 | V405 L406 | Q388-V405 WeakPolarHBondContact O-CA 3.24Å; Q388-L406 HydrophobicContact CG-CD1 4.43Å; Q388-L406 PolarHBondContact N-O 2.81Å; Q388-L406 PolarHBondContact O-N 3.03Å |
| 389 | V | 90.9 | Very high | 91.2 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.8 | 164.1 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | Y386 S391 T403 V405 | Y386-V389 WeakPolarHBondContact OH-CG2 3.19Å; V389-S391 PolarHBondContact O-N 3.26Å; V389-T403 HydrophobicContact CG1-CG2 4.29Å; V389-V405 HydrophobicContact CG2-CG2 4.35Å |
| 390 | A | 90.2 | Very high | 91 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | trans | -82.1 | 81.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L345 H392 A393 L404 | L345-A390 HydrophobicContact CD2-CB 3.5Å; L345-A390 VanDerWaalsContact CD2-CB 3.5Å; A390-H392 PolarHBondContact O-N 2.89Å; A390-H392 VanDerWaalsContact O-N 3.16Å; A390-A393 HydrophobicContact CB-CB 3.9Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.25Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.15Å; A390-L404 HydrophobicContact CB-CB 4.45Å; A390-L404 HydrophobicContact CB-CD2 4.17Å; A390-L404 HydrophobicContact CB-CG 4.38Å; A390-L404 PolarHBondContact N-O 3.25Å | ||
| 391 | S | 84.4 | Confident | 90.9 | Very high | 90 Ų | 90 | 53 Ų | 53 | 63% | 0.629 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31 | -177.3 | 46.2 | 0 | 0 | 0 | 0 | 115.1 | V389 | V389-S391 PolarHBondContact O-N 3.26Š|
| 392 | H | 84.4 | Confident | 90.9 | Very high | 157 Ų | 157 | 52.8 Ų | 52.8 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 8.7 | -175.9 | -53.1 | -67.7 | 0 | 0 | 0 | 113.6 | N346 A390 | N346-H392 PolarHBondContact ND2-O 2.92Å; A390-H392 PolarHBondContact O-N 2.89Å; A390-H392 VanDerWaalsContact O-N 3.16Å |
| 393 | A | 88.2 | Confident | 90.8 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -78.8 | 151.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R344 L345 A390 T395 L404 | R344-A393 CarbonylContact O-C 3.55Å; R344-A393 WeakPolarHBondContact O-CA 3.22Å; R344-A393 WeakPolarHBondContact O-CB 3.05Å; L345-A393 HydrophobicContact CD2-CB 4.02Å; A390-A393 HydrophobicContact CB-CB 3.9Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.25Å; A390-A393 PolarHBondContact O-N 3.3Å; A390-A393 VanDerWaalsContact O-N 3.15Å; A393-T395 PolarHBondContact O-N 3.46Å; A393-T395 VanDerWaalsContact O-N 3.08Å; A393-L404 HydrophobicContact CB-CB 4.43Å; A393-L404 HydrophobicContact CB-CD2 3.43Å; A393-L404 VanDerWaalsContact CB-CD2 3.43Å |
| 394 | N | 92.1 | Very high | 90.8 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | trans | -71.3 | 100.5 | 166.2 | -174.2 | -8.4 | 0 | 0 | 0 | 110.5 | R344 T396 | R344-N394 PolarHBondContact NH1-O 3.42Å; R344-N394 VanDerWaalsContact NH1-O 3.12Å; R344-N394 PolarHBondContact O-N 2.9Å; N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 2.79Å; N394-T396 WeakPolarHBondContact OD1-CB 3.26Å; N394-T396 PolarHBondContact OD1-N 2.88Å; N394-T396 PolarHBondContact OD1-OG1 3.49Å | ||
| 395 | T | 91.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | trans | -84.2 | 6.1 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | A393 G397 I398 | A393-T395 PolarHBondContact O-N 3.46Å; A393-T395 VanDerWaalsContact O-N 3.08Å; T395-G397 PolarHBondContact O-N 2.91Å; T395-I398 HydrophobicContact CG2-CD1 4.46Å; T395-I398 VanDerWaalsContact O-CB 3.32Å; T395-I398 WeakPolarHBondContact O-CB 3.45Å; T395-I398 PolarHBondContact O-N 3.43Å | ||
| 396 | T | 91.8 | Very high | 90.7 | Very high | 104 Ų | 104 | 54 Ų | 54 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.1 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | R344 N394 I398 | R344-T396 PolarHBondContact NH1-O 2.8Å; N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 2.79Å; N394-T396 WeakPolarHBondContact OD1-CB 3.26Å; N394-T396 PolarHBondContact OD1-N 2.88Å; N394-T396 PolarHBondContact OD1-OG1 3.49Å; T396-I398 VanDerWaalsContact C-N 3.3Å; T396-I398 PolarHBondContact O-N 3.28Å |
| 397 | G | 89.5 | Confident | 90.7 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 78% | 0.784 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T395 | T395-G397 PolarHBondContact O-N 2.91Š|
| 398 | I | 90.9 | Very high | 90.7 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -85.8 | 130.6 | 169.1 | -59.7 | -176.6 | 0 | 0 | 0 | 108.5 | V358 T395 T396 N402 L404 | V358-I398 HydrophobicContact CG1-CG2 3.76Å; V358-I398 HydrophobicContact CG2-CD1 3.94Å; V358-I398 HydrophobicContact CG2-CG1 4.37Å; T395-I398 HydrophobicContact CG2-CD1 4.46Å; T395-I398 VanDerWaalsContact O-CB 3.32Å; T395-I398 WeakPolarHBondContact O-CB 3.45Å; T395-I398 PolarHBondContact O-N 3.43Å; T396-I398 VanDerWaalsContact C-N 3.3Å; T396-I398 PolarHBondContact O-N 3.28Å; I398-N402 HydrophobicContact CG2-CB 3.72Å; I398-L404 HydrophobicContact CD1-CB 3.96Å; I398-L404 HydrophobicContact CD1-CD1 4.38Å |
| 399 | P | 91.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | trans | -56.7 | 146.1 | 174.3 | -26.3 | 34.9 | 0 | 0 | 0 | 112.7 | Y144 D401 N402 | Y144-P399 HydrophobicContact CE2-CG 3.93Å; P399-D401 PolarHBondContact O-N 3.13Å; P399-D401 VanDerWaalsContact O-N 3.08Å; P399-N402 HydrophobicContact CB-CB 4.37Å; P399-N402 WeakPolarHBondContact O-CB 3.49Å; P399-N402 PolarHBondContact O-N 3.03Å | ||
| 400 | Q | 85.3 | Confident | 90.7 | Very high | 179 Ų | 179 | 50.7 Ų | 50.7 | 84% | 0.836 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.7 | -170.9 | -173.9 | 171.3 | -7.9 | 0 | 0 | 115.1 | ||
| 401 | D | 88.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 52.1 Ų | 52.1 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.9 | 177.6 | -58.5 | -42.9 | 0 | 0 | 0 | 113.6 | P399 | P399-D401 PolarHBondContact O-N 3.13Å; P399-D401 VanDerWaalsContact O-N 3.08Å |
| 402 | N | 92.7 | Very high | 89.8 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | trans | -90.9 | 148.4 | 179.1 | -68.4 | -7.2 | 0 | 0 | 0 | 110.6 | V358 G359 R360 I398 P399 | V358-N402 HydrophobicContact CG1-CB 3.71Å; G359-N402 WeakPolarHBondContact O-CA 3.48Å; R360-N402 WeakPolarHBondContact CG-OD1 3.29Å; I398-N402 HydrophobicContact CG2-CB 3.72Å; P399-N402 HydrophobicContact CB-CB 4.37Å; P399-N402 WeakPolarHBondContact O-CB 3.49Å; P399-N402 PolarHBondContact O-N 3.03Å | ||
| 403 | T | 93.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 44 Ų | 44 | 14% | 0.135 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.3 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | V358 G359 V389 | V358-T403 WeakPolarHBondContact CA-O 3.32Å; G359-T403 PolarHBondContact N-O 3.44Å; G359-T403 PolarHBondContact O-N 2.71Å; G359-T403 PolarHBondContact O-OG1 3.31Å; V389-T403 HydrophobicContact CG1-CG2 4.29Å |
| 404 | L | 94.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.2 | 165.4 | -169.5 | 74 | 0 | 0 | 0 | 108.5 | L336 R344 L345 V358 A390 A393 I398 | L336-L404 HydrophobicContact CD1-CD1 3.59Å; R344-L404 HydrophobicContact CB-CD2 3.92Å; L345-L404 HydrophobicContact CD2-CD2 3.9Å; L345-L404 HydrophobicContact CG-CD2 4.13Å; V358-L404 HydrophobicContact CG2-CD1 3.7Å; A390-L404 HydrophobicContact CB-CB 4.45Å; A390-L404 HydrophobicContact CB-CD2 4.17Å; A390-L404 HydrophobicContact CB-CG 4.38Å; A390-L404 PolarHBondContact N-O 3.25Å; A393-L404 HydrophobicContact CB-CB 4.43Å; A393-L404 HydrophobicContact CB-CD2 3.43Å; A393-L404 VanDerWaalsContact CB-CD2 3.43Å; I398-L404 HydrophobicContact CD1-CB 3.96Å; I398-L404 HydrophobicContact CD1-CD1 4.38Å |
| 405 | V | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.4 | -175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | Y333 C356 G357 Y386 Q388 V389 F407 | Y333-V405 HydrophobicContact CE1-CB 3.91Å; Y333-V405 HydrophobicContact CE1-CG2 3.7Å; C356-V405 VanDerWaalsContact CA-O 3.24Å; C356-V405 WeakPolarHBondContact CA-O 3.49Å; G357-V405 PolarHBondContact N-O 3.46Å; G357-V405 PolarHBondContact O-N 2.81Å; Y386-V405 HydrophobicContact CD1-CG1 4.41Å; Y386-V405 HydrophobicContact CD2-CG1 3.84Å; Y386-V405 HydrophobicContact CE1-CG1 4.05Å; Y386-V405 HydrophobicContact CE2-CB 4.35Å; Y386-V405 HydrophobicContact CE2-CG1 3.46Å; Y386-V405 VanDerWaalsContact CE2-CG1 3.46Å; Y386-V405 HydrophobicContact CE2-CG2 3.98Å; Y386-V405 HydrophobicContact CG-CG1 4.3Å; Y386-V405 WeakPolarHBondContact OH-CG2 3.44Å; Q388-V405 WeakPolarHBondContact O-CA 3.24Å; V389-V405 HydrophobicContact CG2-CG2 4.35Å; V405-F407 HydrophobicContact CB-CE2 4Å; V405-F407 HydrophobicContact CB-CZ 3.96Å; V405-F407 HydrophobicContact CG1-CD1 4.25Å; V405-F407 HydrophobicContact CG1-CD2 4.27Å; V405-F407 HydrophobicContact CG1-CE1 3.72Å; V405-F407 HydrophobicContact CG1-CE2 3.76Å; V405-F407 HydrophobicContact CG1-CG 4.49Å; V405-F407 HydrophobicContact CG1-CZ 3.46Å; V405-F407 VanDerWaalsContact CG1-CZ 3.46Å |
| 406 | L | 93.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.5 | 167.8 | -71.5 | 169.4 | 0 | 0 | 0 | 110.3 | L345 Y349 C356 D387 Q388 | L345-L406 HydrophobicContact CD1-CD2 3.72Å; Y349-L406 HydrophobicContact CD2-CD2 4.19Å; C356-L406 HydrophobicContact CB-CD2 4.23Å; D387-L406 HydrophobicContact CB-CB 4.4Å; D387-L406 WeakPolarHBondContact CB-O 3.5Å; D387-L406 PolarHBondContact N-O 3.29Å; Q388-L406 HydrophobicContact CG-CD1 4.43Å; Q388-L406 PolarHBondContact N-O 2.81Å; Q388-L406 PolarHBondContact O-N 3.03Å |
| 407 | F | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.3 | 175.9 | -59.5 | -81.3 | 0 | 0 | 0 | 109.7 | V319 Y333 L335 Q354 Y355 L372 A384 F385 Y386 V405 | V319-F407 HydrophobicContact CG2-CE1 3.46Å; V319-F407 VanDerWaalsContact CG2-CE1 3.46Å; V319-F407 HydrophobicContact CG2-CZ 3.88Å; Y333-F407 HydrophobicContact CD1-CE2 4.01Å; Y333-F407 AromaticContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD1-CZ 3.6Å; Y333-F407 HydrophobicContact CD2-CZ 4.36Å; Y333-F407 HydrophobicContact CE1-CE2 4.46Å; Y333-F407 AromaticContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CE1-CZ 3.85Å; Y333-F407 HydrophobicContact CG-CE2 4.48Å; Y333-F407 AromaticContact CG-CZ 3.86Å; Y333-F407 HydrophobicContact CG-CZ 3.86Å; L335-F407 HydrophobicContact CD2-CD2 4.2Å; L335-F407 HydrophobicContact CD2-CE2 4.26Å; Q354-F407 CarbonylContact C-O 3.48Å; Q354-F407 WeakPolarHBondContact CA-O 3.06Å; Y355-F407 PolarHBondContact N-O 2.93Å; Y355-F407 PolarHBondContact O-N 3.02Å; L372-F407 HydrophobicContact CB-CD1 3.92Å; L372-F407 HydrophobicContact CB-CE1 4.28Å; L372-F407 HydrophobicContact CD1-CD1 4.33Å; L372-F407 HydrophobicContact CD1-CE1 4.02Å; L372-F407 HydrophobicContact CD1-CZ 4.19Å; L372-F407 HydrophobicContact CD2-CB 4.1Å; L372-F407 HydrophobicContact CD2-CD1 3.93Å; L372-F407 HydrophobicContact CD2-CD2 4.07Å; L372-F407 HydrophobicContact CD2-CE1 4.38Å; L372-F407 HydrophobicContact CD2-CE2 4.49Å; L372-F407 HydrophobicContact CD2-CG 3.76Å; L372-F407 HydrophobicContact CG-CD1 4.27Å; L372-F407 HydrophobicContact CG-CE1 4.46Å; A384-F407 HydrophobicContact CB-CB 3.82Å; F385-F407 CarbonylContact O-C 3.54Å; F385-F407 VanDerWaalsContact O-CA 3.24Å; F385-F407 WeakPolarHBondContact O-CA 3.44Å; Y386-F407 AromaticContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CE1 3.75Å; Y386-F407 HydrophobicContact CD2-CZ 4.46Å; Y386-F407 HydrophobicContact CE2-CE1 4.47Å; Y386-F407 HydrophobicContact CG-CE1 4.3Å; V405-F407 HydrophobicContact CB-CE2 4Å; V405-F407 HydrophobicContact CB-CZ 3.96Å; V405-F407 HydrophobicContact CG1-CD1 4.25Å; V405-F407 HydrophobicContact CG1-CD2 4.27Å; V405-F407 HydrophobicContact CG1-CE1 3.72Å; V405-F407 HydrophobicContact CG1-CE2 3.76Å; V405-F407 HydrophobicContact CG1-CG 4.49Å; V405-F407 HydrophobicContact CG1-CZ 3.46Å; V405-F407 VanDerWaalsContact CG1-CZ 3.46Å |
| 408 | M | 91.8 | Very high | 86.3 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118 | 177.2 | 172.7 | 54.1 | 66.9 | 0 | 0 | 110.7 | F221 L270 L272 A282 F353 Q354 A384 F385 | F221-M408 HydrophobicContact CD2-CB 3.88Å; F221-M408 HydrophobicContact CD2-CG 4.22Å; F221-M408 HydrophobicContact CE2-CB 3.51Å; F221-M408 HydrophobicContact CE2-CG 3.86Å; L270-M408 HydrophobicContact CD1-CE 4.25Å; L270-M408 HydrophobicContact CD1-SD 4.02Å; L272-M408 HydrophobicContact CD1-CE 3.97Å; A282-M408 HydrophobicContact CB-CE 3.46Å; A282-M408 VanDerWaalsContact CB-CE 3.46Å; F353-M408 HydrophobicContact CB-CE 4.19Å; F353-M408 HydrophobicContact CB-SD 4.21Å; Q354-M408 HydrophobicContact CG-CE 4.36Å; A384-M408 CarbonylContact C-O 3.5Å; A384-M408 WeakPolarHBondContact CA-O 3.4Å; A384-M408 WeakPolarHBondContact CB-O 3.21Å; F385-M408 PolarHBondContact N-O 3.2Å; F385-M408 PolarHBondContact O-N 2.82Å |
| 409 | K | 91.8 | Very high | 85 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 144.9 | 176.9 | -66.3 | -177.6 | 176.3 | -172.2 | 0 | 110.8 | P351 F353 Q354 Y355 G411 | P351-K409 WeakPolarHBondContact O-CE 3.3Å; P351-K409 PolarHBondContact O-NZ 2.89Å; F353-K409 WeakPolarHBondContact O-CB 3.45Å; F353-K409 WeakPolarHBondContact O-CG 3.45Å; F353-K409 PolarHBondContact O-N 3.32Å; Q354-K409 VanDerWaalsContact O-CE 3.31Å; Q354-K409 WeakPolarHBondContact O-CE 3.18Å; Y355-K409 HydrophobicContact CD2-CG 3.83Å; Y355-K409 VanDerWaalsContact CE1-CE 3.46Å; Y355-K409 HydrophobicContact CE2-CD 4.19Å; Y355-K409 HydrophobicContact CE2-CG 3.57Å; Y355-K409 VanDerWaalsContact CZ-CE 3.48Å; K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.73Å |
| 410 | L | 89.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -62.1 | -38.1 | 174.5 | -62.1 | -177.2 | 0 | 0 | 0 | 112.1 | L304 Q382 V383 F385 L413 | L304-L410 HydrophobicContact CB-CD1 3.88Å; L304-L410 HydrophobicContact CD2-CD1 3.83Å; L304-L410 HydrophobicContact CG-CD1 4.29Å; Q382-L410 HydrophobicContact CB-CD1 4.35Å; Q382-L410 HydrophobicContact CG-CD1 4.15Å; Q382-L410 HydrophobicContact CG-CD2 4.4Å; Q382-L410 WeakPolarHBondContact O-CD1 3.24Å; V383-L410 PolarHBondContact O-N 2.73Å; F385-L410 HydrophobicContact CD2-CD2 3.9Å; F385-L410 HydrophobicContact CE1-CD2 4.31Å; F385-L410 HydrophobicContact CE2-CD2 3.34Å; F385-L410 HydrophobicContact CZ-CD2 3.58Å; L410-L413 HydrophobicContact CB-CB 4.33Å; L410-L413 HydrophobicContact CD2-CD2 4.05Å | ||
| 411 | G | 77.8 | Confident | 82.4 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 40% | 0.402 | 19% | 0.186 | S | C | . | . | trans | 60.2 | -146.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K409 L413 | K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.73Å; G411-L413 VanDerWaalsContact C-N 3.27Å; G411-L413 PolarHBondContact O-N 2.81Å; G411-L413 VanDerWaalsContact O-N 3.09Å | ||
| 412 | D | 76.8 | Confident | 80.6 | Confident | 76 Ų | 76 | 33.3 Ų | 33.3 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -84.5 | 68.4 | 172.8 | -170.4 | 28.5 | 0 | 0 | 0 | 111.1 | P307 S415 K416 | P307-D412 HydrophobicContact CG-CB 3.81Å; D412-S415 WeakPolarHBondContact OD1-CB 3.41Å; D412-S415 PolarHBondContact OD1-OG 2.99Å; D412-S415 WeakPolarHBondContact OD2-CB 3.5Å; D412-S415 PolarHBondContact OD2-OG 3.45Å; D412-K416 VanDerWaalsContact O-CD 3.23Å; D412-K416 WeakPolarHBondContact O-CD 3.39Å; D412-K416 WeakPolarHBondContact O-CE 3.09Å; D412-K416 WeakPolarHBondContact O-CG 3.32Å |
| 413 | L | 80.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -82.8 | -31.9 | 177.3 | -174 | 59.6 | 0 | 0 | 0 | 112.2 | L219 F268 A284 I286 F385 L410 G411 K416 I417 | L219-L413 HydrophobicContact CD1-CD2 4.25Å; L219-L413 HydrophobicContact CD2-CD2 4.29Å; F268-L413 HydrophobicContact CD2-CD1 3.89Å; F268-L413 HydrophobicContact CE2-CD1 3.9Å; A284-L413 HydrophobicContact CB-CD1 3.74Å; A284-L413 HydrophobicContact CB-CD2 3.96Å; A284-L413 HydrophobicContact CB-CG 4.46Å; I286-L413 HydrophobicContact CD1-CD1 4.27Å; I286-L413 HydrophobicContact CG1-CD1 4.26Å; F385-L413 HydrophobicContact CE2-CD2 3.92Å; F385-L413 HydrophobicContact CZ-CD2 3.78Å; L410-L413 HydrophobicContact CB-CB 4.33Å; L410-L413 HydrophobicContact CD2-CD2 4.05Å; G411-L413 VanDerWaalsContact C-N 3.27Å; G411-L413 PolarHBondContact O-N 2.81Å; G411-L413 VanDerWaalsContact O-N 3.09Å; L413-K416 WeakPolarHBondContact O-CB 3.46Å; L413-K416 PolarHBondContact O-N 2.88Å; L413-K416 VanDerWaalsContact O-N 3.16Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-I417 VanDerWaalsContact O-N 3.09Å | ||
| 414 | E | 79.4 | Confident | 76.2 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.4 | -46.6 | -176.4 | -162.6 | 170.3 | -174.9 | 0 | 0 | 111.4 | L304 K416 I417 D418 | L304-E414 HydrophobicContact CD1-CB 4.08Å; L304-E414 HydrophobicContact CD1-CG 4.36Å; E414-K416 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact O-N 3.17Å; E414-I417 WeakPolarHBondContact O-CB 3.27Å; E414-I417 PolarHBondContact O-N 2.79Å; E414-D418 PolarHBondContact O-N 3.3Å |
| 415 | S | 75.1 | Confident | 73.5 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -29.4 | 175.8 | 78 | 0 | 0 | 0 | 0 | 113.2 | D412 Q419 | D412-S415 WeakPolarHBondContact OD1-CB 3.41Å; D412-S415 PolarHBondContact OD1-OG 2.99Å; D412-S415 WeakPolarHBondContact OD2-CB 3.5Å; D412-S415 PolarHBondContact OD2-OG 3.45Å; S415-Q419 WeakPolarHBondContact O-CG 3.31Å; S415-Q419 PolarHBondContact O-N 2.78Å |
| 416 | K | 75.9 | Confident | 70.9 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -79.7 | -25.5 | 179 | -63.9 | 173.9 | -179.3 | -179.8 | 0 | 112.9 | F268 D412 L413 E414 Q419 T420 | F268-K416 HydrophobicContact CD1-CD 3.79Å; F268-K416 HydrophobicContact CD2-CD 4.12Å; F268-K416 HydrophobicContact CE1-CB 4.09Å; F268-K416 HydrophobicContact CE1-CD 3.75Å; F268-K416 HydrophobicContact CE1-CG 4.18Å; F268-K416 HydrophobicContact CE2-CB 3.94Å; F268-K416 HydrophobicContact CE2-CD 4.08Å; F268-K416 HydrophobicContact CG-CD 3.96Å; F268-K416 HydrophobicContact CZ-CB 3.56Å; F268-K416 HydrophobicContact CZ-CD 3.9Å; F268-K416 HydrophobicContact CZ-CG 4.15Å; D412-K416 VanDerWaalsContact O-CD 3.23Å; D412-K416 WeakPolarHBondContact O-CD 3.39Å; D412-K416 WeakPolarHBondContact O-CE 3.09Å; D412-K416 WeakPolarHBondContact O-CG 3.32Å; L413-K416 WeakPolarHBondContact O-CB 3.46Å; L413-K416 PolarHBondContact O-N 2.88Å; L413-K416 VanDerWaalsContact O-N 3.16Å; E414-K416 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact O-N 3.17Å; K416-Q419 PolarHBondContact O-N 3.34Å; K416-T420 PolarHBondContact O-N 3.35Å; K416-T420 PolarHBondContact O-OG1 2.76Å |
| 417 | I | 78.6 | Confident | 68.2 | Low | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 171.5 | -65 | 165.7 | 0 | 0 | 0 | 109.4 | Y207 T217 L219 I286 L304 L413 E414 Q419 T420 | Y207-I417 HydrophobicContact CD1-CD1 3.87Å; Y207-I417 HydrophobicContact CD1-CG2 4.13Å; Y207-I417 HydrophobicContact CD2-CD1 4.19Å; Y207-I417 HydrophobicContact CE1-CD1 3.84Å; Y207-I417 HydrophobicContact CE1-CG2 3.88Å; Y207-I417 HydrophobicContact CE2-CD1 4.17Å; Y207-I417 HydrophobicContact CG-CD1 4.03Å; T217-I417 HydrophobicContact CG2-CG2 4.49Å; L219-I417 HydrophobicContact CD1-CD1 4.12Å; L219-I417 HydrophobicContact CD2-CD1 3.9Å; L219-I417 HydrophobicContact CD2-CG1 4.22Å; I286-I417 HydrophobicContact CD1-CB 4.23Å; I286-I417 HydrophobicContact CD1-CG1 3.57Å; I286-I417 HydrophobicContact CG1-CG1 4.25Å; L304-I417 HydrophobicContact CD1-CD1 3.94Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-I417 VanDerWaalsContact O-N 3.09Å; E414-I417 WeakPolarHBondContact O-CB 3.27Å; E414-I417 PolarHBondContact O-N 2.79Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 2.91Å; I417-T420 VanDerWaalsContact O-CB 3.25Å; I417-T420 WeakPolarHBondContact O-CB 3.25Å; I417-T420 PolarHBondContact O-N 2.86Å |
| 418 | D | 73.9 | Confident | 65.3 | Low | 87 Ų | 87 | 67.8 Ų | 67.8 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 179.2 | -69.1 | -28.9 | 0 | 0 | 0 | 112.7 | R209 E414 T420 E421 | R209-D418 IonicContact CZ-OD1 2.94Å; R209-D418 IonicContact NE-OD1 2.6Å; R209-D418 IonicContact NH2-OD1 2.9Å; R209-D418 PolarHBondContact NH2-OD1 3.09Å; E414-D418 PolarHBondContact O-N 3.3Å; D418-T420 VanDerWaalsContact C-N 3.3Å; D418-T420 PolarHBondContact O-N 2.95Å; D418-E421 PolarHBondContact O-N 2.98Å |
| 419 | Q | 64.2 | Low | 62.6 | Low | 90 Ų | 90 | 77.1 Ų | 77.1 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -35 | 169.7 | -69.7 | 173.9 | 26.6 | 0 | 0 | 112.5 | S415 K416 I417 E421 S422 F423 | S415-Q419 WeakPolarHBondContact O-CG 3.31Å; S415-Q419 PolarHBondContact O-N 2.78Å; K416-Q419 PolarHBondContact O-N 3.34Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 2.91Å; Q419-E421 PolarHBondContact O-N 3.24Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; Q419-S422 PolarHBondContact O-N 3.3Å; Q419-S422 PolarHBondContact O-OG 3Å; Q419-F423 WeakPolarHBondContact O-CD2 3.48Å |
| 420 | T | 63.5 | Low | 59.9 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.8 | -28.8 | -178.9 | -53.5 | 0 | 0 | 0 | 0 | 112 | L266 I286 K288 K416 I417 D418 A424 | L266-T420 HydrophobicContact CD2-CG2 4.15Å; L266-T420 WeakPolarHBondContact CD2-OG1 3.3Å; I286-T420 WeakPolarHBondContact CD1-OG1 3.34Å; I286-T420 HydrophobicContact CG2-CG2 4.31Å; K288-T420 HydrophobicContact CG-CG2 4.3Å; K416-T420 PolarHBondContact O-N 3.35Å; K416-T420 PolarHBondContact O-OG1 2.76Å; I417-T420 VanDerWaalsContact O-CB 3.25Å; I417-T420 WeakPolarHBondContact O-CB 3.25Å; I417-T420 PolarHBondContact O-N 2.86Å; D418-T420 VanDerWaalsContact C-N 3.3Å; D418-T420 PolarHBondContact O-N 2.95Å; T420-A424 PolarHBondContact O-N 3.18Å |
| 421 | E | 58.8 | Low | 57.1 | Low | 54 Ų | 54 | 89.9 Ų | 89.9 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -82.1 | -21.4 | -177.6 | -58.7 | -158.6 | 152.3 | 0 | 0 | 114.5 | R209 K288 D418 Q419 F423 A424 | R209-E421 IonicContact CZ-OE1 3.15Å; R209-E421 IonicContact CZ-OE2 2.98Å; R209-E421 VanDerWaalsContact NH1-CD 3.3Å; R209-E421 IonicContact NH1-OE1 2.7Å; R209-E421 PolarHBondContact NH1-OE1 3.36Å; R209-E421 IonicContact NH1-OE2 3.72Å; R209-E421 PolarHBondContact NH1-OE2 3.23Å; R209-E421 IonicContact NH2-OE1 2.64Å; R209-E421 IonicContact NH2-OE2 2.76Å; R209-E421 PolarHBondContact NH2-OE2 2.98Å; K288-E421 IonicContact NZ-OE1 2.62Å; K288-E421 PolarHBondContact NZ-OE1 2.82Å; D418-E421 PolarHBondContact O-N 2.98Å; Q419-E421 PolarHBondContact O-N 3.24Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; E421-F423 VanDerWaalsContact C-N 3.35Å; E421-A424 PolarHBondContact O-N 2.74Å |
| 422 | S | 51.3 | Low | 55.2 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 54% | 0.538 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 170.8 | 69.3 | 0 | 0 | 0 | 0 | 111 | Q419 A424 | Q419-S422 PolarHBondContact O-N 3.3Å; Q419-S422 PolarHBondContact O-OG 3Å; S422-A424 VanDerWaalsContact C-N 3.35Å |
| 423 | F | 45.3 | Very low | 53.1 | Low | 99 Ų | 99 | 100.1 Ų | 100.1 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.6 | -26.3 | 174.5 | -62.2 | -72.8 | 0 | 0 | 0 | 113.9 | K68 V69 Q419 E421 | K68-F423 HydrophobicContact CB-CE1 3.9Å; K68-F423 HydrophobicContact CD-CE1 4.49Å; V69-F423 HydrophobicContact CG2-CZ 3.94Å; Q419-F423 WeakPolarHBondContact O-CD2 3.48Å; E421-F423 VanDerWaalsContact C-N 3.35Å |
| 424 | A | 46.6 | Very low | 51.1 | Low | 38 Ų | 38 | 107.6 Ų | 107.6 | 31% | 0.314 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T420 E421 S422 | T420-A424 PolarHBondContact O-N 3.18Å; E421-A424 PolarHBondContact O-N 2.74Å; S422-A424 VanDerWaalsContact C-N 3.35Å |
| 425 | K | 39.6 | Very low | 49.2 | Very low | 158 Ų | 158 | 110.8 Ų | 110.8 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -87.4 | 120.3 | 172.5 | -71.4 | -179.3 | -179.2 | 177.7 | 0 | 109.2 | N427 | K425-N427 PolarHBondContact O-N 3.31Š|
| 426 | P | 39.5 | Very low | 47.4 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 57% | 0.571 | S | S | * | * | trans | -63.9 | 123.9 | 170.3 | 27.3 | -32.2 | 0 | 0 | 0 | 108.4 | Y428 | P426-Y428 PolarHBondContact O-N 3.14Š| ||
| 427 | N | 36.2 | Very low | 45.7 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 76% | 0.759 | 59% | 0.593 | S | S | * | * | trans | -60.7 | 112.3 | 171.8 | -92.1 | -22.3 | 0 | 0 | 0 | 108.9 | K425 Y429 | K425-N427 PolarHBondContact O-N 3.31Å; N427-Y429 HydrophobicContact CB-CD2 4.29Å; N427-Y429 PolarHBondContact O-N 3.05Å | ||
| 428 | Y | 34.5 | Very low | 43.6 | Very low | 226 Ų | 226 | 125.5 Ų | 125.5 | 89% | 0.886 | 64% | 0.635 | S | S | * | * | trans | -70.8 | 66.7 | 168.8 | -91.3 | -96.8 | 0 | 0 | 0 | 110.1 | P426 T430 | P426-Y428 PolarHBondContact O-N 3.14Å; Y428-T430 PolarHBondContact O-N 2.86Å | ||
| 429 | Y | 36.4 | Very low | 42.1 | Very low | 197 Ų | 197 | 124.4 Ų | 124.4 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -89.6 | 92.7 | 164.3 | -96.1 | -83.6 | 0 | 0 | 0 | 109.6 | N427 | N427-Y429 HydrophobicContact CB-CD2 4.29Å; N427-Y429 PolarHBondContact O-N 3.05Å | ||
| 430 | T | 34.9 | Very low | 40.9 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | trans | 44.4 | 97.9 | 144.5 | -7.5 | 0 | 0 | 0 | 0 | 118.3 | Y428 S432 | Y428-T430 PolarHBondContact O-N 2.86Å; T430-S432 VanDerWaalsContact C-N 3.3Å; T430-S432 PolarHBondContact O-N 3.21Å | ||
| 431 | K | 31.1 | Very low | 39.7 | Very low | 212 Ų | 212 | 137.7 Ų | 137.7 | 92% | 0.922 | 71% | 0.707 | S | S | * | * | trans | -70 | 79.7 | 158.7 | -173.8 | -177.4 | -176.5 | 178.3 | 0 | 110.7 | ||||
| 432 | S | 37.4 | Very low | 38.9 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -91.9 | 97.8 | 160.1 | 47.8 | 0 | 0 | 0 | 0 | 108.1 | T430 | T430-S432 VanDerWaalsContact C-N 3.3Å; T430-S432 PolarHBondContact O-N 3.21Å | ||
| 433 | R | 32.4 | Very low | 38.6 | Very low | 232 Ų | 232 | 152 Ų | 152 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | 46.5 | 76.5 | 96.7 | -86.7 | -165.5 | 175.4 | -177.3 | -0 | 113.1 | |||||
| 434 | E | 38.6 | Very low | 38.3 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -126.6 | 111.2 | 140.1 | -79.1 | -172.1 | 160.5 | 0 | 0 | 108.4 | Y436 | E434-Y436 HydrophobicContact CB-CD2 4.37Å; E434-Y436 HydrophobicContact CB-CE2 4.18Å | ||
| 435 | T | 39 | Very low | 37.9 | Very low | 131 Ų | 131 | 160.7 Ų | 160.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -94.8 | 97.7 | 177 | -50.2 | 0 | 0 | 0 | 0 | 107.2 | P437 | T435-P437 WeakPolarHBondContact O-CD 3.32Š| ||
| 436 | Y | 38.6 | Very low | 37.8 | Very low | 195 Ų | 195 | 160.9 Ų | 160.9 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 119.2 | 169 | -82.7 | -85 | 0 | 0 | 0 | 109.4 | E434 | E434-Y436 HydrophobicContact CB-CD2 4.37Å; E434-Y436 HydrophobicContact CB-CE2 4.18Å |
| 437 | P | 39.6 | Very low | 37.7 | Very low | 115 Ų | 115 | 164.3 Ų | 164.3 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.8 | 175 | 29.7 | -32.3 | 0 | 0 | 0 | 109.8 | T435 | T435-P437 WeakPolarHBondContact O-CD 3.32Š|
| 438 | A | 35.2 | Very low | 37.8 | Very low | 109 Ų | 109 | 165.7 Ų | 165.7 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 439 | G | 41.8 | Very low | 38 | Very low | 63 Ų | 63 | 161.7 Ų | 161.7 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | trans | -176.2 | 128.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 440 | L | 38.6 | Very low | 38.1 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | trans | 66.1 | 88.8 | 161.2 | -61.9 | 134.2 | 0 | 0 | 0 | 117.6 | ||||
| 441 | F | 39.1 | Very low | 38.3 | Very low | 206 Ų | 206 | 163 Ų | 163 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | -137.5 | 111.5 | 128.7 | -100.1 | -79.9 | 0 | 0 | 0 | 108 | |||||
| 442 | N | 40.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | trans | -162 | 68.8 | 176.1 | -130.5 | 27.2 | 0 | 0 | 0 | 108.9 | ||||
| 443 | E | 46.6 | Very low | 39.1 | Very low | 265 Ų | 265 | 164.5 Ų | 164.5 | 100% | 1.238 | 85% | 0.854 | S | S | * | * | trans | -166.5 | 0 | 151.2 | -106.6 | -178.5 | 156.4 | 0 | 0 | 108.3 |
Retrieved 443 of 443 residues in 244 ms
(Link to these results)