| 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 | 54.9 | Low | 83 | Confident | 216 Ų | 216 | 74.9 Ų | 74.9 | 100% | 1.064 | 40% | 0.397 | S | S | * | . | 0 | 107.9 | 0 | -77.9 | 153 | 167.2 | 0 | 0 | 106.8 | |||||
| 2 | S | 74.6 | Confident | 82.7 | Confident | 79 Ų | 79 | 87.5 Ų | 87.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 125.8 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 108.3 | S21 | S2-S21 WeakPolarHBondContact O-CB 3.37Å; S2-S21 PolarHBondContact O-N 2.81Å |
| 3 | N | 83.2 | Confident | 82.8 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.8 | 171.1 | -70.7 | -25.2 | 0 | 0 | 0 | 108.6 | V19 | N3-V19 CarbonylContact C-O 3.57Å; N3-V19 WeakPolarHBondContact CA-O 3.37Å |
| 4 | F | 86 | Confident | 83.2 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 20% | 0.197 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.7 | 171.7 | -66 | -32.3 | 0 | 0 | 0 | 110 | L6 S18 V19 I58 D65 | F4-L6 HydrophobicContact CB-CD2 4.32Å; F4-L6 HydrophobicContact CB-CG 4.35Å; F4-S18 WeakPolarHBondContact O-CA 3.44Å; F4-V19 PolarHBondContact N-O 3.45Å; F4-V19 PolarHBondContact O-N 2.85Å; F4-I58 HydrophobicContact CD2-CG2 3.98Å; F4-I58 HydrophobicContact CE2-CG2 4.24Å; F4-D65 WeakPolarHBondContact CA-OD1 3.33Å; F4-D65 HydrophobicContact CD1-CB 3.63Å; F4-D65 HydrophobicContact CE1-CB 4.2Å; F4-D65 HydrophobicContact CG-CB 4.37Å |
| 5 | S | 87.2 | Confident | 83.5 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 101.9 | 168.5 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | V17 D65 G66 | S5-V17 WeakPolarHBondContact CA-O 3.5Å; S5-D65 WeakPolarHBondContact CA-OD1 3.47Å; S5-D65 WeakPolarHBondContact CB-OD1 3.21Å; S5-D65 PolarHBondContact N-OD1 2.87Å; S5-G66 VanDerWaalsContact O-CA 3.28Å; S5-G66 WeakPolarHBondContact O-CA 3.1Å; S5-G66 PolarHBondContact O-N 3.47Å |
| 6 | L | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.5 | 179.6 | -59.3 | 176.4 | 0 | 0 | 0 | 110 | F4 T16 V17 V19 L28 I58 I63 K64 I69 | F4-L6 HydrophobicContact CB-CD2 4.32Å; F4-L6 HydrophobicContact CB-CG 4.35Å; L6-T16 CarbonylContact O-C 3.59Å; L6-T16 WeakPolarHBondContact O-CA 3.42Å; L6-V17 HydrophobicContact CB-CG2 4.21Å; L6-V17 PolarHBondContact N-O 3.24Å; L6-V17 PolarHBondContact O-N 3.43Å; L6-V19 HydrophobicContact CD1-CG2 3.58Å; L6-V19 HydrophobicContact CG-CG2 4.22Å; L6-L28 HydrophobicContact CD1-CD1 3.89Å; L6-L28 HydrophobicContact CD1-CD2 4.27Å; L6-I58 HydrophobicContact CD1-CD1 4.12Å; L6-I63 HydrophobicContact CD1-CG2 4.13Å; L6-I63 HydrophobicContact CD2-CG2 3.46Å; L6-I63 VanDerWaalsContact CD2-CG2 3.46Å; L6-I63 HydrophobicContact CG-CG2 4.47Å; L6-K64 WeakPolarHBondContact CD2-O 3.25Å; L6-I69 HydrophobicContact CB-CD1 4.47Å; L6-I69 HydrophobicContact CD1-CD1 3.94Å |
| 7 | R | 90.3 | Very high | 84.1 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 109.9 | 178.1 | -66.5 | 177.3 | 69.1 | -177 | -2.6 | 108.8 | E14 F67 I68 I69 | R7-E14 IonicContact CZ-OE1 3.06Å; R7-E14 IonicContact CZ-OE2 3.86Å; R7-E14 IonicContact NE-OE1 2.62Å; R7-E14 PolarHBondContact NE-OE1 3.31Å; R7-E14 IonicContact NH2-OE1 2.71Å; R7-E14 PolarHBondContact NH2-OE1 3.23Å; R7-E14 IonicContact NH2-OE2 2.97Å; R7-E14 PolarHBondContact NH2-OE2 3.15Å; R7-F67 PolarHBondContact N-O 2.73Å; R7-I68 HydrophobicContact CB-CG1 4.11Å; R7-I68 CarbonylContact O-C 3.58Å; R7-I68 VanDerWaalsContact O-CA 3.25Å; R7-I68 WeakPolarHBondContact O-CA 3.48Å; R7-I69 PolarHBondContact O-N 3.32Å |
| 8 | I | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.7 | 178.3 | -57.8 | -178.3 | 0 | 0 | 0 | 108.9 | E14 K15 V17 L28 A32 F36 I69 L71 | I8-E14 CarbonylContact O-C 3.58Å; I8-E14 VanDerWaalsContact O-CA 3.3Å; I8-E14 WeakPolarHBondContact O-CA 3.48Å; I8-E14 WeakPolarHBondContact O-CG 3.21Å; I8-K15 PolarHBondContact N-O 2.84Å; I8-K15 PolarHBondContact O-N 3.39Å; I8-V17 HydrophobicContact CD1-CB 4.38Å; I8-V17 HydrophobicContact CD1-CG1 3.93Å; I8-V17 HydrophobicContact CD1-CG2 3.49Å; I8-V17 VanDerWaalsContact CD1-CG2 3.49Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; I8-L28 HydrophobicContact CD1-CD1 4.37Å; I8-A32 HydrophobicContact CD1-CB 3.55Å; I8-F36 HydrophobicContact CB-CE2 3.83Å; I8-F36 HydrophobicContact CB-CZ 4.31Å; I8-F36 HydrophobicContact CG2-CD2 4.37Å; I8-F36 HydrophobicContact CG2-CE2 3.46Å; I8-F36 VanDerWaalsContact CG2-CE2 3.46Å; I8-F36 HydrophobicContact CG2-CZ 3.97Å; I8-F36 WeakPolarHBondContact O-CZ 3.3Å; I8-I69 CarbonylContact C-O 3.4Å; I8-I69 WeakPolarHBondContact CA-O 3.2Å; I8-L71 HydrophobicContact CG2-CB 3.58Å; I8-L71 HydrophobicContact CG2-CD1 3.75Å; I8-L71 HydrophobicContact CG2-CG 4.34Å |
| 9 | K | 89.8 | Confident | 84.4 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 45% | 0.452 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 108.9 | 179.2 | -170.5 | 174.1 | -178.9 | 177 | 0 | 110.1 | E14 I68 I69 H70 L71 | K9-E14 HydrophobicContact CB-CG 4.29Å; K9-I68 HydrophobicContact CB-CG2 3.98Å; K9-I69 PolarHBondContact N-O 2.86Å; K9-H70 CarbonylContact O-C 3.53Å; K9-H70 WeakPolarHBondContact O-CA 3.27Å; K9-L71 PolarHBondContact O-N 2.99Å |
| 10 | A | 86.7 | Confident | 84.4 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 162.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R12 G13 F36 L71 | A10-R12 PolarHBondContact O-N 3.16Å; A10-R12 VanDerWaalsContact O-N 3.11Å; A10-G13 CarbonylContact C-O 3.54Å; A10-G13 WeakPolarHBondContact CA-O 3.36Å; A10-G13 WeakPolarHBondContact CB-O 3.38Å; A10-G13 PolarHBondContact N-O 3.08Å; A10-G13 PolarHBondContact O-N 2.95Å; A10-G13 VanDerWaalsContact O-N 3.13Å; A10-F36 HydrophobicContact CB-CD1 3.83Å; A10-F36 HydrophobicContact CB-CE1 3.31Å; A10-F36 HydrophobicContact CB-CZ 3.78Å; A10-L71 HydrophobicContact CB-CB 4.36Å; A10-L71 HydrophobicContact CB-CD2 3.86Å |
| 11 | P | 82.1 | Confident | 84.2 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 71% | 0.714 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -27.2 | 172.2 | -25.7 | 31.1 | 0 | 0 | 0 | 113.9 | L71 | P11-L71 WeakPolarHBondContact CD-O 3.34Š|
| 12 | R | 79 | Confident | 85.5 | Confident | 226 Ų | 226 | 64.8 Ų | 64.8 | 85% | 0.853 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -0.5 | -178 | -72.8 | -174.5 | 166.8 | 171.9 | -4.8 | 114.4 | A10 | A10-R12 PolarHBondContact O-N 3.16Å; A10-R12 VanDerWaalsContact O-N 3.11Å |
| 13 | G | 84.3 | Confident | 85.9 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.6 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A10 | A10-G13 CarbonylContact C-O 3.54Å; A10-G13 WeakPolarHBondContact CA-O 3.36Å; A10-G13 WeakPolarHBondContact CB-O 3.38Å; A10-G13 PolarHBondContact N-O 3.08Å; A10-G13 PolarHBondContact O-N 2.95Å; A10-G13 VanDerWaalsContact O-N 3.13Å |
| 14 | E | 88.3 | Confident | 86.1 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137 | -179.3 | -163.4 | -163.6 | 121.8 | 0 | 0 | 110.1 | R7 I8 K9 | R7-E14 IonicContact CZ-OE1 3.06Å; R7-E14 IonicContact CZ-OE2 3.86Å; R7-E14 IonicContact NE-OE1 2.62Å; R7-E14 PolarHBondContact NE-OE1 3.31Å; R7-E14 IonicContact NH2-OE1 2.71Å; R7-E14 PolarHBondContact NH2-OE1 3.23Å; R7-E14 IonicContact NH2-OE2 2.97Å; R7-E14 PolarHBondContact NH2-OE2 3.15Å; I8-E14 CarbonylContact O-C 3.58Å; I8-E14 VanDerWaalsContact O-CA 3.3Å; I8-E14 WeakPolarHBondContact O-CA 3.48Å; I8-E14 WeakPolarHBondContact O-CG 3.21Å; K9-E14 HydrophobicContact CB-CG 4.29Å |
| 15 | K | 88 | Confident | 86.1 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139.9 | 175.5 | -66.3 | -171.5 | 178.8 | -170.6 | 0 | 109.9 | I8 A35 F36 | I8-K15 PolarHBondContact N-O 2.84Å; I8-K15 PolarHBondContact O-N 3.39Å; K15-A35 HydrophobicContact CB-CB 4.5Å; K15-A35 HydrophobicContact CD-CB 4.04Å; K15-A35 WeakPolarHBondContact CD-O 3.2Å; K15-A35 WeakPolarHBondContact CE-O 3.28Å; K15-A35 PolarHBondContact NZ-O 3.13Å; K15-F36 HydrophobicContact CB-CE2 4.01Å; K15-F36 HydrophobicContact CB-CZ 3.88Å; K15-F36 HydrophobicContact CD-CE1 4.36Å; K15-F36 HydrophobicContact CD-CE2 4.47Å; K15-F36 HydrophobicContact CD-CZ 4.33Å; K15-F36 HydrophobicContact CG-CE1 4.23Å; K15-F36 HydrophobicContact CG-CE2 4.38Å; K15-F36 HydrophobicContact CG-CZ 3.96Å |
| 16 | T | 90.1 | Very high | 86 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | L6 | L6-T16 CarbonylContact O-C 3.59Å; L6-T16 WeakPolarHBondContact O-CA 3.42Å |
| 17 | V | 87.4 | Confident | 85.9 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 143.8 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | S5 L6 I8 V19 L28 E31 A35 | S5-V17 WeakPolarHBondContact CA-O 3.5Å; L6-V17 HydrophobicContact CB-CG2 4.21Å; L6-V17 PolarHBondContact N-O 3.24Å; L6-V17 PolarHBondContact O-N 3.43Å; I8-V17 HydrophobicContact CD1-CB 4.38Å; I8-V17 HydrophobicContact CD1-CG1 3.93Å; I8-V17 HydrophobicContact CD1-CG2 3.49Å; I8-V17 VanDerWaalsContact CD1-CG2 3.49Å; I8-V17 HydrophobicContact CG1-CG2 3.94Å; V17-V19 HydrophobicContact CG2-CG1 4.44Å; V17-L28 HydrophobicContact CG2-CD1 3.87Å; V17-E31 HydrophobicContact CB-CG 4.19Å; V17-E31 HydrophobicContact CG1-CG 4.31Å; V17-A35 HydrophobicContact CG1-CB 4Å |
| 18 | S | 87 | Confident | 85.8 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.9 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | F4 | F4-S18 WeakPolarHBondContact O-CA 3.44Å |
| 19 | V | 85.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.1 | -177.6 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | N3 F4 L6 V17 C23 L28 E31 I58 | N3-V19 CarbonylContact C-O 3.57Å; N3-V19 WeakPolarHBondContact CA-O 3.37Å; F4-V19 PolarHBondContact N-O 3.45Å; F4-V19 PolarHBondContact O-N 2.85Å; L6-V19 HydrophobicContact CD1-CG2 3.58Å; L6-V19 HydrophobicContact CG-CG2 4.22Å; V17-V19 HydrophobicContact CG2-CG1 4.44Å; V19-C23 HydrophobicContact CB-CB 4.39Å; V19-L28 HydrophobicContact CG1-CD1 3.93Å; V19-L28 HydrophobicContact CG2-CD1 4.15Å; V19-E31 HydrophobicContact CG1-CB 4.31Å; V19-E31 HydrophobicContact CG1-CG 4.34Å; V19-I58 HydrophobicContact CG2-CD1 3.62Å |
| 20 | P | 84.8 | Confident | 85.5 | Confident | 49 Ų | 49 | 60 Ų | 60 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 150.3 | 176 | 23 | -27.8 | 0 | 0 | 0 | 111.5 | S22 C23 | P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.15Å; P20-C23 HydrophobicContact CG-CB 4Å; P20-C23 WeakPolarHBondContact O-CB 3.35Å; P20-C23 PolarHBondContact O-N 2.98Å; P20-C23 VanDerWaalsContact O-N 3.12Å |
| 21 | S | 80.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 63 Ų | 63 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.8 | -176.3 | 61 | 0 | 0 | 0 | 0 | 114.5 | S2 E59 | S2-S21 WeakPolarHBondContact O-CB 3.37Å; S2-S21 PolarHBondContact O-N 2.81Å; S21-E59 WeakPolarHBondContact O-CG 3.3Å |
| 22 | S | 81.4 | Confident | 85.7 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 12.8 | -179.2 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | P20 | P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.15Å |
| 23 | C | 83.4 | Confident | 86 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | trans | -72.1 | 145.6 | -175.1 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | V19 P20 E27 I58 | V19-C23 HydrophobicContact CB-CB 4.39Å; P20-C23 HydrophobicContact CG-CB 4Å; P20-C23 WeakPolarHBondContact O-CB 3.35Å; P20-C23 PolarHBondContact O-N 2.98Å; P20-C23 VanDerWaalsContact O-N 3.12Å; C23-E27 WeakPolarHBondContact SG-CB 3.37Å; C23-E27 PolarHBondContact SG-OE2 2.82Å; C23-I58 HydrophobicContact CB-CD1 3.83Å; C23-I58 WeakPolarHBondContact O-CG1 3.45Å; C23-I58 PolarHBondContact O-N 2.88Å | ||
| 24 | S | 87.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 52 Ų | 52 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 155.7 | 172.2 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | K26 E27 L28 | S24-K26 PolarHBondContact O-N 3.4Å; S24-E27 PolarHBondContact N-OE2 3.37Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.49Å; S24-E27 PolarHBondContact OG-N 3.18Å; S24-E27 PolarHBondContact OG-OE2 2.97Å; S24-L28 PolarHBondContact O-N 3.39Å |
| 25 | V | 86.5 | Confident | 86 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -30.4 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | L28 R29 L45 L52 K53 D56 L61 | V25-L28 PolarHBondContact O-N 3.3Å; V25-R29 VanDerWaalsContact O-CB 3.26Å; V25-R29 WeakPolarHBondContact O-CB 3.48Å; V25-R29 PolarHBondContact O-N 3.49Å; V25-L45 HydrophobicContact CG1-CD1 4.21Å; V25-L52 HydrophobicContact CG1-CB 3.7Å; V25-L52 HydrophobicContact CG2-CB 4.03Å; V25-L52 HydrophobicContact CG2-CD1 4.25Å; V25-K53 WeakPolarHBondContact CB-O 3.38Å; V25-K53 WeakPolarHBondContact CG1-O 3.48Å; V25-D56 HydrophobicContact CG2-CB 3.99Å; V25-D56 VanDerWaalsContact CG2-O 3.29Å; V25-D56 WeakPolarHBondContact CG2-O 3.47Å; V25-D56 PolarHBondContact N-O 3.33Å; V25-L61 HydrophobicContact CG2-CD1 3.61Å |
| 26 | K | 85.4 | Confident | 85.7 | Confident | 139 Ų | 139 | 46.2 Ų | 46.2 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 174.8 | -175 | -179.9 | 177.1 | 179.2 | 0 | 112.5 | S24 R29 D30 D54 | S24-K26 PolarHBondContact O-N 3.4Å; K26-R29 WeakPolarHBondContact O-CB 3.43Å; K26-R29 PolarHBondContact O-N 2.93Å; K26-D30 PolarHBondContact O-N 3.31Å; K26-D54 HydrophobicContact CB-CB 4.14Å |
| 27 | E | 86.8 | Confident | 85.4 | Confident | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 177.1 | -72.9 | 173.2 | 126.8 | 0 | 0 | 111.7 | C23 S24 R29 D30 E31 | C23-E27 WeakPolarHBondContact SG-CB 3.37Å; C23-E27 PolarHBondContact SG-OE2 2.82Å; S24-E27 PolarHBondContact N-OE2 3.37Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-E27 VanDerWaalsContact O-N 3.15Å; S24-E27 WeakPolarHBondContact OG-CG 3.49Å; S24-E27 PolarHBondContact OG-N 3.18Å; S24-E27 PolarHBondContact OG-OE2 2.97Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 2.75Å; E27-D30 WeakPolarHBondContact O-CB 3.46Å; E27-D30 PolarHBondContact O-N 3.39Å; E27-E31 PolarHBondContact O-N 3.4Å |
| 28 | L | 86.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 171 | 176.4 | 65.4 | 0 | 0 | 0 | 111.5 | L6 I8 V17 V19 S24 V25 E31 A32 L45 I69 | L6-L28 HydrophobicContact CD1-CD1 3.89Å; L6-L28 HydrophobicContact CD1-CD2 4.27Å; I8-L28 HydrophobicContact CD1-CD1 4.37Å; V17-L28 HydrophobicContact CG2-CD1 3.87Å; V19-L28 HydrophobicContact CG1-CD1 3.93Å; V19-L28 HydrophobicContact CG2-CD1 4.15Å; S24-L28 PolarHBondContact O-N 3.39Å; V25-L28 PolarHBondContact O-N 3.3Å; L28-E31 PolarHBondContact O-N 3.32Å; L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.97Å; L28-L45 HydrophobicContact CD2-CD1 4.04Å; L28-L45 HydrophobicContact CG-CD1 4.02Å; L28-I69 HydrophobicContact CD2-CD1 3.64Å |
| 29 | R | 87 | Confident | 84.9 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.2 | -167.3 | -175.9 | -63.5 | 173.4 | 1.1 | 111.5 | V25 K26 E27 A32 S33 S40 L43 L45 L52 D54 | V25-R29 VanDerWaalsContact O-CB 3.26Å; V25-R29 WeakPolarHBondContact O-CB 3.48Å; V25-R29 PolarHBondContact O-N 3.49Å; K26-R29 WeakPolarHBondContact O-CB 3.43Å; K26-R29 PolarHBondContact O-N 2.93Å; E27-R29 VanDerWaalsContact C-N 3.26Å; E27-R29 PolarHBondContact O-N 2.75Å; R29-A32 PolarHBondContact O-N 3.3Å; R29-S33 VanDerWaalsContact O-CB 3.3Å; R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 3.42Å; R29-S40 VanDerWaalsContact CD-O 3.24Å; R29-S40 WeakPolarHBondContact CD-O 3.44Å; R29-L43 HydrophobicContact CG-CB 4.05Å; R29-L43 PolarHBondContact NE-O 3.49Å; R29-L45 HydrophobicContact CB-CD1 3.98Å; R29-L45 HydrophobicContact CG-CD1 4.41Å; R29-L52 PolarHBondContact NH2-O 2.87Å; R29-D54 VanDerWaalsContact CZ-CG 3.43Å; R29-D54 IonicContact CZ-OD1 3.2Å; R29-D54 IonicContact CZ-OD2 2.82Å; R29-D54 IonicContact NE-OD1 2.74Å; R29-D54 PolarHBondContact NE-OD1 2.81Å; R29-D54 IonicContact NH1-OD1 3.14Å; R29-D54 PolarHBondContact NH1-OD1 2.85Å; R29-D54 IonicContact NH1-OD2 2.94Å; R29-D54 PolarHBondContact NH1-OD2 2.9Å; R29-D54 IonicContact NH2-OD1 2.87Å; R29-D54 PolarHBondContact NH2-OD1 3.23Å; R29-D54 IonicContact NH2-OD2 2.83Å; R29-D54 PolarHBondContact NH2-OD2 3.35Å |
| 30 | D | 87.6 | Confident | 84.8 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 172.7 | -168.7 | -99.5 | 0 | 0 | 0 | 111.2 | K26 E27 A32 S33 K34 | K26-D30 PolarHBondContact O-N 3.31Å; E27-D30 WeakPolarHBondContact O-CB 3.46Å; E27-D30 PolarHBondContact O-N 3.39Å; D30-A32 PolarHBondContact O-N 2.86Å; D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 2.84Å; D30-S33 VanDerWaalsContact O-N 3.08Å; D30-S33 PolarHBondContact O-OG 2.83Å; D30-K34 PolarHBondContact O-N 3.18Å; D30-K34 WeakPolarHBondContact OD1-CE 3.38Å; D30-K34 IonicContact OD1-NZ 3.32Å; D30-K34 PolarHBondContact OD1-NZ 3.31Å |
| 31 | E | 86.1 | Confident | 84.5 | Confident | 73 Ų | 73 | 58 Ų | 58 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 177.9 | -158.7 | 58.3 | -153.5 | 0 | 0 | 112.1 | V17 V19 E27 L28 S33 K34 A35 | V17-E31 HydrophobicContact CB-CG 4.19Å; V17-E31 HydrophobicContact CG1-CG 4.31Å; V19-E31 HydrophobicContact CG1-CB 4.31Å; V19-E31 HydrophobicContact CG1-CG 4.34Å; E27-E31 PolarHBondContact O-N 3.4Å; L28-E31 PolarHBondContact O-N 3.32Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 2.91Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-K34 IonicContact OE2-NZ 2.96Å; E31-K34 PolarHBondContact OE2-NZ 3.04Å; E31-K34 VanDerWaalsContact OE2-NZ 3.14Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.03Å |
| 32 | A | 85.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I8 L28 R29 D30 A35 F36 L43 L71 | I8-A32 HydrophobicContact CD1-CB 3.55Å; L28-A32 VanDerWaalsContact O-CB 3.29Å; L28-A32 WeakPolarHBondContact O-CB 3.27Å; L28-A32 PolarHBondContact O-N 2.97Å; R29-A32 PolarHBondContact O-N 3.3Å; D30-A32 PolarHBondContact O-N 2.86Å; A32-A35 PolarHBondContact O-N 3.23Å; A32-F36 WeakPolarHBondContact O-CB 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.45Å; A32-F36 PolarHBondContact O-N 2.83Å; A32-L43 HydrophobicContact CB-CD1 4.43Å; A32-L71 HydrophobicContact CB-CD1 4.01Å |
| 33 | S | 86.3 | Confident | 84.9 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 178.1 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | R29 D30 E31 E37 T38 L43 | R29-S33 VanDerWaalsContact O-CB 3.3Å; R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 3.42Å; D30-S33 WeakPolarHBondContact O-CB 3.47Å; D30-S33 PolarHBondContact O-N 2.84Å; D30-S33 VanDerWaalsContact O-N 3.08Å; D30-S33 PolarHBondContact O-OG 2.83Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 2.91Å; S33-E37 WeakPolarHBondContact O-CA 3.49Å; S33-E37 PolarHBondContact O-N 2.84Å; S33-T38 WeakPolarHBondContact CA-O 3.29Å; S33-T38 WeakPolarHBondContact CB-O 3.49Å; S33-T38 PolarHBondContact O-N 3.46Å; S33-L43 VanDerWaalsContact CA-CD1 3.49Å |
| 34 | K | 86.9 | Confident | 85.1 | Confident | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 171.9 | -65.5 | 174.2 | -164.6 | 140.4 | 0 | 111.1 | D30 E31 | D30-K34 PolarHBondContact O-N 3.18Å; D30-K34 WeakPolarHBondContact OD1-CE 3.38Å; D30-K34 IonicContact OD1-NZ 3.32Å; D30-K34 PolarHBondContact OD1-NZ 3.31Å; E31-K34 PolarHBondContact O-N 2.88Å; E31-K34 IonicContact OE2-NZ 2.96Å; E31-K34 PolarHBondContact OE2-NZ 3.04Å; E31-K34 VanDerWaalsContact OE2-NZ 3.14Å |
| 35 | A | 85 | Confident | 85.2 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 20% | 0.198 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K15 V17 E31 A32 | K15-A35 HydrophobicContact CB-CB 4.5Å; K15-A35 HydrophobicContact CD-CB 4.04Å; K15-A35 WeakPolarHBondContact CD-O 3.2Å; K15-A35 WeakPolarHBondContact CE-O 3.28Å; K15-A35 PolarHBondContact NZ-O 3.13Å; V17-A35 HydrophobicContact CG1-CB 4Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 3.03Å; A32-A35 PolarHBondContact O-N 3.23Å |
| 36 | F | 83 | Confident | 85.4 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -99.1 | 6.8 | -176.2 | -73.3 | -85.5 | 0 | 0 | 0 | 114.6 | I8 A10 K15 A32 T38 L71 | I8-F36 HydrophobicContact CB-CE2 3.83Å; I8-F36 HydrophobicContact CB-CZ 4.31Å; I8-F36 HydrophobicContact CG2-CD2 4.37Å; I8-F36 HydrophobicContact CG2-CE2 3.46Å; I8-F36 VanDerWaalsContact CG2-CE2 3.46Å; I8-F36 HydrophobicContact CG2-CZ 3.97Å; I8-F36 WeakPolarHBondContact O-CZ 3.3Å; A10-F36 HydrophobicContact CB-CD1 3.83Å; A10-F36 HydrophobicContact CB-CE1 3.31Å; A10-F36 HydrophobicContact CB-CZ 3.78Å; K15-F36 HydrophobicContact CB-CE2 4.01Å; K15-F36 HydrophobicContact CB-CZ 3.88Å; K15-F36 HydrophobicContact CD-CE1 4.36Å; K15-F36 HydrophobicContact CD-CE2 4.47Å; K15-F36 HydrophobicContact CD-CZ 4.33Å; K15-F36 HydrophobicContact CG-CE1 4.23Å; K15-F36 HydrophobicContact CG-CE2 4.38Å; K15-F36 HydrophobicContact CG-CZ 3.96Å; A32-F36 WeakPolarHBondContact O-CB 3.31Å; A32-F36 WeakPolarHBondContact O-CD2 3.45Å; A32-F36 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-N 3.45Å; F36-T38 VanDerWaalsContact O-N 3.15Å; F36-T38 PolarHBondContact O-OG1 3.09Å; F36-L71 HydrophobicContact CD2-CD1 3.81Å; F36-L71 HydrophobicContact CE2-CD1 4.12Å; F36-L71 HydrophobicContact CG-CD1 4.35Å |
| 37 | E | 83.6 | Confident | 85.5 | Confident | 176 Ų | 176 | 56.8 Ų | 56.8 | 82% | 0.822 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.6 | 179.9 | -61.9 | 174.5 | 98.3 | 0 | 0 | 112.8 | S33 | S33-E37 WeakPolarHBondContact O-CA 3.49Å; S33-E37 PolarHBondContact O-N 2.84Å |
| 38 | T | 79.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -133.4 | 134.4 | -174.1 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | S33 F36 S40 R42 L43 I73 | S33-T38 WeakPolarHBondContact CA-O 3.29Å; S33-T38 WeakPolarHBondContact CB-O 3.49Å; S33-T38 PolarHBondContact O-N 3.46Å; F36-T38 PolarHBondContact O-N 3.45Å; F36-T38 VanDerWaalsContact O-N 3.15Å; F36-T38 PolarHBondContact O-OG1 3.09Å; T38-S40 PolarHBondContact O-N 3.07Å; T38-R42 HydrophobicContact CG2-CB 4.25Å; T38-L43 HydrophobicContact CG2-CD2 3.68Å; T38-L43 HydrophobicContact CG2-CG 4.26Å; T38-I73 HydrophobicContact CG2-CD1 4.3Å; T38-I73 HydrophobicContact CG2-CG1 4.37Å; T38-I73 HydrophobicContact CG2-CG2 3.87Å |
| 39 | P | 83.1 | Confident | 85.1 | Confident | 68 Ų | 68 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | trans | -58 | 137.1 | -178.3 | 23 | -34.3 | 0 | 0 | 0 | 111.8 | E41 R42 | P39-E41 PolarHBondContact O-N 2.96Å; P39-E41 VanDerWaalsContact O-N 3.13Å; P39-R42 HydrophobicContact CG-CB 4.43Å; P39-R42 HydrophobicContact CG-CG 4.04Å; P39-R42 PolarHBondContact O-N 3.1Å | ||
| 40 | S | 83.2 | Confident | 85 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.3 | -176.7 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | R29 T38 R42 L43 | R29-S40 VanDerWaalsContact CD-O 3.24Å; R29-S40 WeakPolarHBondContact CD-O 3.44Å; T38-S40 PolarHBondContact O-N 3.07Å; S40-R42 PolarHBondContact O-N 2.98Å; S40-L43 PolarHBondContact O-N 3.15Å; S40-L43 VanDerWaalsContact O-N 3.08Å |
| 41 | E | 80.3 | Confident | 85.1 | Confident | 158 Ų | 158 | 66.3 Ų | 66.3 | 74% | 0.738 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -61 | -26.5 | 175.8 | -64 | 177.5 | 172 | 0 | 0 | 113.8 | P39 | P39-E41 PolarHBondContact O-N 2.96Å; P39-E41 VanDerWaalsContact O-N 3.13Å |
| 42 | R | 83.5 | Confident | 85.1 | Confident | 115 Ų | 115 | 63 Ų | 63 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -92.2 | -8 | 179.3 | -64.2 | -174.1 | -176 | 169.4 | 1.4 | 112.5 | T38 P39 S40 I73 S74 | T38-R42 HydrophobicContact CG2-CB 4.25Å; P39-R42 HydrophobicContact CG-CB 4.43Å; P39-R42 HydrophobicContact CG-CG 4.04Å; P39-R42 PolarHBondContact O-N 3.1Å; S40-R42 PolarHBondContact O-N 2.98Å; R42-I73 HydrophobicContact CB-CG2 4.19Å; R42-I73 CarbonylContact O-C 3.58Å; R42-I73 WeakPolarHBondContact O-CA 3.29Å; R42-S74 WeakPolarHBondContact CB-O 3.06Å; R42-S74 WeakPolarHBondContact CG-O 3.48Å; R42-S74 PolarHBondContact O-N 2.72Å |
| 43 | L | 85.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116 | -172.5 | -63.9 | -175.7 | 0 | 0 | 0 | 111.2 | R29 A32 S33 T38 S40 L71 I73 | R29-L43 HydrophobicContact CG-CB 4.05Å; R29-L43 PolarHBondContact NE-O 3.49Å; A32-L43 HydrophobicContact CB-CD1 4.43Å; S33-L43 VanDerWaalsContact CA-CD1 3.49Å; T38-L43 HydrophobicContact CG2-CD2 3.68Å; T38-L43 HydrophobicContact CG2-CG 4.26Å; S40-L43 PolarHBondContact O-N 3.15Å; S40-L43 VanDerWaalsContact O-N 3.08Å; L43-L71 HydrophobicContact CD1-CD1 4.2Å; L43-L71 HydrophobicContact CD2-CD1 3.96Å; L43-L71 HydrophobicContact CD2-CD2 3.66Å; L43-L71 HydrophobicContact CD2-CG 4.03Å; L43-L71 HydrophobicContact CG-CD1 4.49Å; L43-I73 HydrophobicContact CD2-CG1 3.95Å |
| 44 | I | 87.8 | Confident | 84.9 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.1 | 173.4 | -56.4 | 179 | 0 | 0 | 0 | 107.9 | I46 I51 L71 V72 | I44-I46 HydrophobicContact CG2-CG1 4.2Å; I44-I51 HydrophobicContact CG2-CG1 4.28Å; I44-I51 HydrophobicContact CG2-CG2 3.58Å; I44-L71 CarbonylContact O-C 3.57Å; I44-L71 WeakPolarHBondContact O-CA 3.48Å; I44-V72 HydrophobicContact CB-CB 4.43Å; I44-V72 PolarHBondContact N-O 3.5Å; I44-V72 PolarHBondContact O-N 3.13Å |
| 45 | L | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.7 | 175.6 | -66.1 | 169.5 | 0 | 0 | 0 | 109.9 | V25 L28 R29 L52 I69 H70 L71 | V25-L45 HydrophobicContact CG1-CD1 4.21Å; L28-L45 HydrophobicContact CD2-CD1 4.04Å; L28-L45 HydrophobicContact CG-CD1 4.02Å; R29-L45 HydrophobicContact CB-CD1 3.98Å; R29-L45 HydrophobicContact CG-CD1 4.41Å; L45-L52 HydrophobicContact CB-CB 4.19Å; L45-L52 HydrophobicContact CB-CD1 4.08Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; L45-I69 HydrophobicContact CB-CG2 4.11Å; L45-I69 HydrophobicContact CD2-CG2 3.9Å; L45-H70 CarbonylContact C-O 3.36Å; L45-L71 HydrophobicContact CD2-CB 4.18Å; L45-L71 HydrophobicContact CD2-CD1 4.16Å; L45-L71 HydrophobicContact CD2-CG 4.37Å |
| 46 | I | 90.3 | Very high | 84.6 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.7 | -175.5 | -52.6 | 175.7 | 0 | 0 | 0 | 108.9 | I44 K50 I51 H70 V72 | I44-I46 HydrophobicContact CG2-CG1 4.2Å; I46-K50 WeakPolarHBondContact CA-O 3.28Å; I46-I51 HydrophobicContact CG1-CG1 4.27Å; I46-H70 HydrophobicContact CB-CB 4.21Å; I46-H70 PolarHBondContact N-O 3.36Å; I46-H70 PolarHBondContact O-N 2.89Å; I46-V72 HydrophobicContact CD1-CG2 3.73Å |
| 47 | F | 88.6 | Confident | 84.7 | Confident | 34 Ų | 34 | 76 Ų | 76 | 15% | 0.149 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.9 | 178.1 | -178.3 | -104.2 | 0 | 0 | 0 | 110.5 | G49 K50 L52 I63 F67 I68 I69 | F47-G49 PolarHBondContact O-N 3.32Å; F47-G49 VanDerWaalsContact O-N 3.17Å; F47-K50 PolarHBondContact N-O 2.77Å; F47-K50 PolarHBondContact O-N 2.89Å; F47-L52 HydrophobicContact CB-CD1 4Å; F47-L52 HydrophobicContact CB-CD2 3.94Å; F47-L52 HydrophobicContact CB-CG 4.16Å; F47-I63 HydrophobicContact CD1-CD1 4.1Å; F47-I63 HydrophobicContact CD1-CG1 3.58Å; F47-I63 HydrophobicContact CD2-CG1 4.29Å; F47-I63 HydrophobicContact CE1-CG1 3.51Å; F47-I63 HydrophobicContact CE2-CG1 4.24Å; F47-I63 HydrophobicContact CG-CD1 4.19Å; F47-I63 HydrophobicContact CG-CG1 3.97Å; F47-I63 HydrophobicContact CZ-CG1 3.85Å; F47-F67 HydrophobicContact CE2-CB 3.97Å; F47-F67 AromaticContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CG 4.22Å; F47-F67 HydrophobicContact CZ-CB 4.42Å; F47-F67 AromaticContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CD1 3.4Å; F47-F67 VanDerWaalsContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CE1 4.02Å; F47-F67 HydrophobicContact CZ-CG 4.26Å; F47-I68 WeakPolarHBondContact CD2-O 3.18Å; F47-I69 HydrophobicContact CD2-CG1 3.98Å |
| 48 | G | 82.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 77% | 0.773 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 30.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K50 | G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.48Å |
| 49 | G | 82.4 | Confident | 84.7 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 79% | 0.794 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F47 | F47-G49 PolarHBondContact O-N 3.32Å; F47-G49 VanDerWaalsContact O-N 3.17Å |
| 50 | K | 84.7 | Confident | 84.7 | Confident | 149 Ų | 149 | 75.9 Ų | 75.9 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.7 | 176.1 | -63.1 | -176.4 | -179.7 | -178 | 0 | 110.6 | I46 F47 G48 | I46-K50 WeakPolarHBondContact CA-O 3.28Å; F47-K50 PolarHBondContact N-O 2.77Å; F47-K50 PolarHBondContact O-N 2.89Å; G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.48Å |
| 51 | I | 89.4 | Confident | 84.4 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 57% | 0.574 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124.8 | 170.3 | -62.6 | 170 | 0 | 0 | 0 | 107.9 | I44 I46 | I44-I51 HydrophobicContact CG2-CG1 4.28Å; I44-I51 HydrophobicContact CG2-CG2 3.58Å; I46-I51 HydrophobicContact CG1-CG1 4.27Å |
| 52 | L | 86.5 | Confident | 84.5 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 126.1 | -178.6 | -56.7 | -173.3 | 0 | 0 | 0 | 110.5 | V25 R29 L45 F47 L61 I63 I69 | V25-L52 HydrophobicContact CG1-CB 3.7Å; V25-L52 HydrophobicContact CG2-CB 4.03Å; V25-L52 HydrophobicContact CG2-CD1 4.25Å; R29-L52 PolarHBondContact NH2-O 2.87Å; L45-L52 HydrophobicContact CB-CB 4.19Å; L45-L52 HydrophobicContact CB-CD1 4.08Å; L45-L52 HydrophobicContact CB-CG 4.34Å; L45-L52 PolarHBondContact O-N 3.34Å; F47-L52 HydrophobicContact CB-CD1 4Å; F47-L52 HydrophobicContact CB-CD2 3.94Å; F47-L52 HydrophobicContact CB-CG 4.16Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L52-L61 HydrophobicContact CD2-CD1 3.45Å; L52-L61 VanDerWaalsContact CD2-CD1 3.45Å; L52-L61 HydrophobicContact CD2-CD2 3.56Å; L52-L61 HydrophobicContact CD2-CG 4.08Å; L52-L61 HydrophobicContact CG-CD1 4.24Å; L52-I63 HydrophobicContact CD1-CD1 4.12Å; L52-I69 HydrophobicContact CD1-CG2 4.44Å |
| 53 | K | 85.9 | Confident | 84.5 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 154.3 | 176.2 | -63.1 | -177.8 | 179.9 | -176.2 | 0 | 110.3 | V25 E55 D56 | V25-K53 WeakPolarHBondContact CB-O 3.38Å; V25-K53 WeakPolarHBondContact CG1-O 3.48Å; K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å; K53-D56 PolarHBondContact N-OD2 3.4Å; K53-D56 PolarHBondContact O-N 3.42Å; K53-D56 VanDerWaalsContact O-N 3.11Å |
| 54 | D | 82.5 | Confident | 84.3 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 34% | 0.342 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.5 | -178.3 | -70.9 | -48.3 | 0 | 0 | 0 | 114 | K26 R29 | K26-D54 HydrophobicContact CB-CB 4.14Å; R29-D54 VanDerWaalsContact CZ-CG 3.43Å; R29-D54 IonicContact CZ-OD1 3.2Å; R29-D54 IonicContact CZ-OD2 2.82Å; R29-D54 IonicContact NE-OD1 2.74Å; R29-D54 PolarHBondContact NE-OD1 2.81Å; R29-D54 IonicContact NH1-OD1 3.14Å; R29-D54 PolarHBondContact NH1-OD1 2.85Å; R29-D54 IonicContact NH1-OD2 2.94Å; R29-D54 PolarHBondContact NH1-OD2 2.9Å; R29-D54 IonicContact NH2-OD1 2.87Å; R29-D54 PolarHBondContact NH2-OD1 3.23Å; R29-D54 IonicContact NH2-OD2 2.83Å; R29-D54 PolarHBondContact NH2-OD2 3.35Å |
| 55 | E | 82.5 | Confident | 84.2 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 81% | 0.808 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -16.9 | -179.3 | -53.7 | -175.7 | 112 | 0 | 0 | 113.1 | K53 | K53-E55 PolarHBondContact O-N 3.12Å; K53-E55 VanDerWaalsContact O-N 3.12Å |
| 56 | D | 83.4 | Confident | 83.9 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | trans | -78.3 | 149.8 | -179.4 | -63.9 | -42.3 | 0 | 0 | 0 | 110.8 | V25 K53 L61 | V25-D56 HydrophobicContact CG2-CB 3.99Å; V25-D56 VanDerWaalsContact CG2-O 3.29Å; V25-D56 WeakPolarHBondContact CG2-O 3.47Å; V25-D56 PolarHBondContact N-O 3.33Å; K53-D56 PolarHBondContact N-OD2 3.4Å; K53-D56 PolarHBondContact O-N 3.42Å; K53-D56 VanDerWaalsContact O-N 3.11Å; D56-L61 HydrophobicContact CB-CD1 3.73Å; D56-L61 HydrophobicContact CB-CD2 4.34Å; D56-L61 HydrophobicContact CB-CG 4.06Å | ||
| 57 | T | 85.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 31% | 0.307 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -106.4 | 152.4 | 173.3 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | E59 Q60 L61 | T57-E59 PolarHBondContact O-N 3.39Å; T57-Q60 PolarHBondContact O-N 3.48Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CB 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 PolarHBondContact OG1-N 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-L61 VanDerWaalsContact O-N 3.09Å |
| 58 | I | 83.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -37 | 177.3 | -65.2 | 179.3 | 0 | 0 | 0 | 111 | F4 L6 V19 C23 L61 K62 I63 | F4-I58 HydrophobicContact CD2-CG2 3.98Å; F4-I58 HydrophobicContact CE2-CG2 4.24Å; L6-I58 HydrophobicContact CD1-CD1 4.12Å; V19-I58 HydrophobicContact CG2-CD1 3.62Å; C23-I58 HydrophobicContact CB-CD1 3.83Å; C23-I58 WeakPolarHBondContact O-CG1 3.45Å; C23-I58 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 3.22Å; I58-K62 PolarHBondContact O-N 3.4Å; I58-I63 HydrophobicContact CG2-CB 3.7Å; I58-I63 HydrophobicContact CG2-CG2 3.96Å; I58-I63 PolarHBondContact O-N 3.2Å; I58-I63 VanDerWaalsContact O-N 3.09Å |
| 59 | E | 80.1 | Confident | 84.3 | Confident | 126 Ų | 126 | 81.3 Ų | 81.3 | 59% | 0.589 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -45.3 | 176.8 | -62.5 | -170.3 | 168.3 | 0 | 0 | 112.4 | S21 T57 L61 K62 | S21-E59 WeakPolarHBondContact O-CG 3.3Å; T57-E59 PolarHBondContact O-N 3.39Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.35Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 VanDerWaalsContact O-N 3.08Å |
| 60 | Q | 82.2 | Confident | 84.7 | Confident | 136 Ų | 136 | 82.1 Ų | 82.1 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -34.5 | 179.8 | -172.3 | 172.8 | 2.3 | 0 | 0 | 112.2 | T57 K62 | T57-Q60 PolarHBondContact O-N 3.48Å; T57-Q60 VanDerWaalsContact O-N 3.14Å; T57-Q60 VanDerWaalsContact OG1-CB 3.3Å; T57-Q60 WeakPolarHBondContact OG1-CB 3.4Å; T57-Q60 PolarHBondContact OG1-N 3.26Å; Q60-K62 PolarHBondContact O-N 3.3Å |
| 61 | L | 77.7 | Confident | 84.8 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -1.6 | 176.9 | -66 | 162.4 | 0 | 0 | 0 | 113.2 | V25 L52 D56 T57 I58 E59 I63 | V25-L61 HydrophobicContact CG2-CD1 3.61Å; L52-L61 HydrophobicContact CD1-CD1 4.11Å; L52-L61 HydrophobicContact CD2-CD1 3.45Å; L52-L61 VanDerWaalsContact CD2-CD1 3.45Å; L52-L61 HydrophobicContact CD2-CD2 3.56Å; L52-L61 HydrophobicContact CD2-CG 4.08Å; L52-L61 HydrophobicContact CG-CD1 4.24Å; D56-L61 HydrophobicContact CB-CD1 3.73Å; D56-L61 HydrophobicContact CB-CD2 4.34Å; D56-L61 HydrophobicContact CB-CG 4.06Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-L61 VanDerWaalsContact O-N 3.09Å; I58-L61 PolarHBondContact O-N 3.22Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.35Å; L61-I63 HydrophobicContact CB-CD1 3.74Å; L61-I63 HydrophobicContact CB-CG1 3.82Å; L61-I63 HydrophobicContact CD1-CD1 3.92Å; L61-I63 PolarHBondContact O-N 3.31Å |
| 62 | K | 82.3 | Confident | 84.8 | Confident | 175 Ų | 175 | 72.8 Ų | 72.8 | 76% | 0.761 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.8 | -176 | -60 | -176.8 | 177.3 | 179.6 | 0 | 113.1 | I58 E59 Q60 K64 | I58-K62 PolarHBondContact O-N 3.4Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 VanDerWaalsContact O-N 3.08Å; Q60-K62 PolarHBondContact O-N 3.3Å; K62-K64 PolarHBondContact O-N 2.66Å |
| 63 | I | 82 | Confident | 84.7 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | trans | -74.8 | 122.7 | 175.9 | -64.7 | 166.7 | 0 | 0 | 0 | 107.3 | L6 F47 L52 I58 L61 F67 I69 | L6-I63 HydrophobicContact CD1-CG2 4.13Å; L6-I63 HydrophobicContact CD2-CG2 3.46Å; L6-I63 VanDerWaalsContact CD2-CG2 3.46Å; L6-I63 HydrophobicContact CG-CG2 4.47Å; F47-I63 HydrophobicContact CD1-CD1 4.1Å; F47-I63 HydrophobicContact CD1-CG1 3.58Å; F47-I63 HydrophobicContact CD2-CG1 4.29Å; F47-I63 HydrophobicContact CE1-CG1 3.51Å; F47-I63 HydrophobicContact CE2-CG1 4.24Å; F47-I63 HydrophobicContact CG-CD1 4.19Å; F47-I63 HydrophobicContact CG-CG1 3.97Å; F47-I63 HydrophobicContact CZ-CG1 3.85Å; L52-I63 HydrophobicContact CD1-CD1 4.12Å; I58-I63 HydrophobicContact CG2-CB 3.7Å; I58-I63 HydrophobicContact CG2-CG2 3.96Å; I58-I63 PolarHBondContact O-N 3.2Å; I58-I63 VanDerWaalsContact O-N 3.09Å; L61-I63 HydrophobicContact CB-CD1 3.74Å; L61-I63 HydrophobicContact CB-CG1 3.82Å; L61-I63 HydrophobicContact CD1-CD1 3.92Å; L61-I63 PolarHBondContact O-N 3.31Å; I63-F67 HydrophobicContact CG2-CB 4.4Å; I63-I69 HydrophobicContact CD1-CD1 4.16Å; I63-I69 HydrophobicContact CG2-CD1 4.42Å | ||
| 64 | K | 81.9 | Confident | 84.3 | Confident | 140 Ų | 140 | 70.4 Ų | 70.4 | 61% | 0.609 | 36% | 0.356 | S | S | * | . | trans | -105.1 | 169 | 176.6 | -54 | -179.8 | 175.3 | -178.3 | 0 | 110.8 | L6 K62 G66 F67 | L6-K64 WeakPolarHBondContact CD2-O 3.25Å; K62-K64 PolarHBondContact O-N 2.66Å; K64-G66 PolarHBondContact O-N 3.21Å; K64-F67 HydrophobicContact CB-CD2 3.71Å; K64-F67 HydrophobicContact CB-CE2 3.56Å; K64-F67 HydrophobicContact CB-CZ 4.35Å; K64-F67 HydrophobicContact CD-CE2 4.13Å; K64-F67 HydrophobicContact CD-CZ 4.39Å; K64-F67 HydrophobicContact CG-CE2 4.1Å; K64-F67 HydrophobicContact CG-CZ 4.46Å; K64-F67 WeakPolarHBondContact O-CB 3.1Å; K64-F67 VanDerWaalsContact O-CD2 3.31Å; K64-F67 WeakPolarHBondContact O-CD2 3.39Å; K64-F67 PolarHBondContact O-N 3.08Å | ||
| 65 | D | 86 | Confident | 83.5 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 135.9 | 170.1 | -166.1 | 37 | 0 | 0 | 0 | 112.2 | F4 S5 F67 | F4-D65 WeakPolarHBondContact CA-OD1 3.33Å; F4-D65 HydrophobicContact CD1-CB 3.63Å; F4-D65 HydrophobicContact CE1-CB 4.2Å; F4-D65 HydrophobicContact CG-CB 4.37Å; S5-D65 WeakPolarHBondContact CA-OD1 3.47Å; S5-D65 WeakPolarHBondContact CB-OD1 3.21Å; S5-D65 PolarHBondContact N-OD1 2.87Å; D65-F67 VanDerWaalsContact C-N 3.33Å; D65-F67 PolarHBondContact O-N 3.05Å |
| 66 | G | 83.6 | Confident | 82 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 45% | 0.454 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | S5 K64 | S5-G66 VanDerWaalsContact O-CA 3.28Å; S5-G66 WeakPolarHBondContact O-CA 3.1Å; S5-G66 PolarHBondContact O-N 3.47Å; K64-G66 PolarHBondContact O-N 3.21Å |
| 67 | F | 89.3 | Confident | 80 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | trans | -73.3 | 155.2 | 179.5 | -84.1 | -117 | 0 | 0 | 0 | 112.4 | R7 F47 I63 K64 D65 | R7-F67 PolarHBondContact N-O 2.73Å; F47-F67 HydrophobicContact CE2-CB 3.97Å; F47-F67 AromaticContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CD1 3.57Å; F47-F67 HydrophobicContact CE2-CG 4.22Å; F47-F67 HydrophobicContact CZ-CB 4.42Å; F47-F67 AromaticContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CD1 3.4Å; F47-F67 VanDerWaalsContact CZ-CD1 3.4Å; F47-F67 HydrophobicContact CZ-CE1 4.02Å; F47-F67 HydrophobicContact CZ-CG 4.26Å; I63-F67 HydrophobicContact CG2-CB 4.4Å; K64-F67 HydrophobicContact CB-CD2 3.71Å; K64-F67 HydrophobicContact CB-CE2 3.56Å; K64-F67 HydrophobicContact CB-CZ 4.35Å; K64-F67 HydrophobicContact CD-CE2 4.13Å; K64-F67 HydrophobicContact CD-CZ 4.39Å; K64-F67 HydrophobicContact CG-CE2 4.1Å; K64-F67 HydrophobicContact CG-CZ 4.46Å; K64-F67 WeakPolarHBondContact O-CB 3.1Å; K64-F67 VanDerWaalsContact O-CD2 3.31Å; K64-F67 WeakPolarHBondContact O-CD2 3.39Å; K64-F67 PolarHBondContact O-N 3.08Å; D65-F67 VanDerWaalsContact C-N 3.33Å; D65-F67 PolarHBondContact O-N 3.05Å | ||
| 68 | I | 89.6 | Confident | 77.6 | Confident | 71 Ų | 71 | 87.8 Ų | 87.8 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.4 | -179.3 | -55.6 | 172.9 | 0 | 0 | 0 | 109.9 | R7 K9 F47 | R7-I68 HydrophobicContact CB-CG1 4.11Å; R7-I68 CarbonylContact O-C 3.58Å; R7-I68 VanDerWaalsContact O-CA 3.25Å; R7-I68 WeakPolarHBondContact O-CA 3.48Å; K9-I68 HydrophobicContact CB-CG2 3.98Å; F47-I68 WeakPolarHBondContact CD2-O 3.18Å |
| 69 | I | 89.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.6 | 174.4 | -59 | 177 | 0 | 0 | 0 | 108 | L6 R7 I8 K9 L28 L45 F47 L52 I63 | L6-I69 HydrophobicContact CB-CD1 4.47Å; L6-I69 HydrophobicContact CD1-CD1 3.94Å; R7-I69 PolarHBondContact O-N 3.32Å; I8-I69 CarbonylContact C-O 3.4Å; I8-I69 WeakPolarHBondContact CA-O 3.2Å; K9-I69 PolarHBondContact N-O 2.86Å; L28-I69 HydrophobicContact CD2-CD1 3.64Å; L45-I69 HydrophobicContact CB-CG2 4.11Å; L45-I69 HydrophobicContact CD2-CG2 3.9Å; F47-I69 HydrophobicContact CD2-CG1 3.98Å; L52-I69 HydrophobicContact CD1-CG2 4.44Å; I63-I69 HydrophobicContact CD1-CD1 4.16Å; I63-I69 HydrophobicContact CG2-CD1 4.42Å |
| 70 | H | 90.1 | Very high | 73.7 | Confident | 93 Ų | 93 | 92.1 Ų | 92.1 | 43% | 0.431 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.5 | 177 | -69.6 | 78.1 | 0 | 0 | 0 | 109.6 | K9 L45 I46 | K9-H70 CarbonylContact O-C 3.53Å; K9-H70 WeakPolarHBondContact O-CA 3.27Å; L45-H70 CarbonylContact C-O 3.36Å; I46-H70 HydrophobicContact CB-CB 4.21Å; I46-H70 PolarHBondContact N-O 3.36Å; I46-H70 PolarHBondContact O-N 2.89Å |
| 71 | L | 88.5 | Confident | 71.7 | Confident | 2 Ų | 2 | 94.7 Ų | 94.7 | 1% | 0.01 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.1 | 179.5 | 176.2 | 159.9 | 0 | 0 | 0 | 109.9 | I8 K9 A10 P11 A32 F36 L43 I44 L45 I73 | I8-L71 HydrophobicContact CG2-CB 3.58Å; I8-L71 HydrophobicContact CG2-CD1 3.75Å; I8-L71 HydrophobicContact CG2-CG 4.34Å; K9-L71 PolarHBondContact O-N 2.99Å; A10-L71 HydrophobicContact CB-CB 4.36Å; A10-L71 HydrophobicContact CB-CD2 3.86Å; P11-L71 WeakPolarHBondContact CD-O 3.34Å; A32-L71 HydrophobicContact CB-CD1 4.01Å; F36-L71 HydrophobicContact CD2-CD1 3.81Å; F36-L71 HydrophobicContact CE2-CD1 4.12Å; F36-L71 HydrophobicContact CG-CD1 4.35Å; L43-L71 HydrophobicContact CD1-CD1 4.2Å; L43-L71 HydrophobicContact CD2-CD1 3.96Å; L43-L71 HydrophobicContact CD2-CD2 3.66Å; L43-L71 HydrophobicContact CD2-CG 4.03Å; L43-L71 HydrophobicContact CG-CD1 4.49Å; I44-L71 CarbonylContact O-C 3.57Å; I44-L71 WeakPolarHBondContact O-CA 3.48Å; L45-L71 HydrophobicContact CD2-CB 4.18Å; L45-L71 HydrophobicContact CD2-CD1 4.16Å; L45-L71 HydrophobicContact CD2-CG 4.37Å; L71-I73 HydrophobicContact CD2-CG1 3.84Å |
| 72 | V | 88.5 | Confident | 69.8 | Low | 64 Ų | 64 | 99.6 Ų | 99.6 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.2 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | I44 I46 | I44-V72 HydrophobicContact CB-CB 4.43Å; I44-V72 PolarHBondContact N-O 3.5Å; I44-V72 PolarHBondContact O-N 3.13Å; I46-V72 HydrophobicContact CD1-CG2 3.73Å |
| 73 | I | 84.6 | Confident | 67.8 | Low | 58 Ų | 58 | 98.9 Ų | 98.9 | 30% | 0.297 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.1 | 178.2 | -54.3 | 174.3 | 0 | 0 | 0 | 108.6 | T38 R42 L43 L71 | T38-I73 HydrophobicContact CG2-CD1 4.3Å; T38-I73 HydrophobicContact CG2-CG1 4.37Å; T38-I73 HydrophobicContact CG2-CG2 3.87Å; R42-I73 HydrophobicContact CB-CG2 4.19Å; R42-I73 CarbonylContact O-C 3.58Å; R42-I73 WeakPolarHBondContact O-CA 3.29Å; L43-I73 HydrophobicContact CD2-CG1 3.95Å; L71-I73 HydrophobicContact CD2-CG1 3.84Å |
| 74 | S | 76.7 | Confident | 65.7 | Low | 30 Ų | 30 | 104 Ų | 104 | 21% | 0.21 | 55% | 0.55 | C | S | . | * | trans | -79 | 141.7 | 175 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | R42 Q76 | R42-S74 WeakPolarHBondContact CB-O 3.06Å; R42-S74 WeakPolarHBondContact CG-O 3.48Å; R42-S74 PolarHBondContact O-N 2.72Å; S74-Q76 VanDerWaalsContact C-N 3.29Å; S74-Q76 PolarHBondContact O-N 2.98Å | ||
| 75 | K | 65.8 | Low | 63.7 | Low | 207 Ų | 207 | 104.4 Ų | 104.4 | 90% | 0.9 | 56% | 0.564 | S | S | * | * | trans | -88.6 | 41.8 | 178 | -67.9 | -172.2 | 177 | -179.8 | 0 | 112.7 | ||||
| 76 | Q | 51.1 | Low | 61.5 | Low | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 133.1 | -176.5 | -99.8 | 168.5 | -22.8 | 0 | 0 | 113.9 | S74 | S74-Q76 VanDerWaalsContact C-N 3.29Å; S74-Q76 PolarHBondContact O-N 2.98Å |
| 77 | Q | 41.9 | Very low | 59.3 | Low | 172 Ų | 172 | 108.4 Ų | 108.4 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 148.4 | -178.1 | -78 | 162.5 | -39.9 | 0 | 0 | 112.2 | ||
| 78 | Q | 34.6 | Very low | 57.2 | Low | 174 Ų | 174 | 110.2 Ų | 110.2 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129 | -175.2 | -165 | 166.3 | 11.5 | 0 | 0 | 113.3 | S80 | Q78-S80 PolarHBondContact O-N 3.44Š|
| 79 | P | 41.2 | Very low | 54.7 | Low | 115 Ų | 115 | 112 Ų | 112 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | trans | -81 | 112.8 | 175.1 | 30.3 | -28.9 | 0 | 0 | 0 | 109.8 | ||||
| 80 | S | 40.2 | Very low | 52.4 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | -110.3 | 108.1 | 170.5 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | Q78 | Q78-S80 PolarHBondContact O-N 3.44Š| ||
| 81 | Q | 41.4 | Very low | 50.2 | Low | 189 Ų | 189 | 120 Ų | 120 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | 24.3 | 113.7 | 146.8 | -95 | 167.3 | -17.3 | 0 | 0 | 119.6 | ||||
| 82 | V | 37.9 | Very low | 47.8 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -49.7 | 128.3 | 153.5 | -91.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 83 | N | 39.2 | Very low | 45.3 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | -132.7 | 118.8 | 157 | -119.7 | 37.9 | 0 | 0 | 0 | 107.6 | ||||
| 84 | P | 38.7 | Very low | 43.4 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -104.5 | 118.9 | 179.9 | 34.1 | -24.1 | 0 | 0 | 0 | 110.9 | ||||
| 85 | T | 38.7 | Very low | 41.6 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -175.8 | 136.4 | 154.3 | 3.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 86 | G | 39.4 | Very low | 40.4 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 120 | 80.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 87 | T | 38.2 | Very low | 40.4 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -56.8 | 139 | 158.4 | 43.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 88 | S | 44.1 | Very low | 40.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -178.4 | 135.8 | 131.9 | -82.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 89 | S | 38 | Very low | 40.4 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -82.9 | 155.6 | -178 | -40.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 90 | V | 40.6 | Very low | 40.1 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -165.5 | 96.3 | 146.7 | 171.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 91 | V | 45.2 | Very low | 40 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 25.9 | 118 | 103.4 | -139.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 92 | T | 38.4 | Very low | 39.9 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | 158.7 | 136.3 | 84.8 | -41.4 | 0 | 0 | 0 | 0 | 104.5 | |||||
| 93 | D | 35.5 | Very low | 39.8 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | 163.6 | 100.3 | 102.9 | -170.3 | 45.9 | 0 | 0 | 0 | 107.3 | |||||
| 94 | V | 44.1 | Very low | 40.1 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | 51.5 | 111.7 | 93.9 | -158.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 95 | G | 40.3 | Very low | 40.2 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -169.2 | 92.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 96 | D | 40.8 | Very low | 40.2 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | trans | -6.7 | 143.6 | 150.5 | -85 | -117.4 | 0 | 0 | 0 | 116.5 | ||||
| 97 | R | 49.1 | Very low | 40.6 | Very low | 216 Ų | 216 | 134.7 Ų | 134.7 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | cis | 163.4 | -177.8 | 31.4 | -113.6 | 175.1 | 170.1 | -135.1 | -10.5 | 106.6 | ||||
| 98 | P | 39.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | -127 | 154.9 | -63 | 31.9 | -10.6 | 0 | 0 | 0 | 114.1 | |||||
| 99 | R | 37.1 | Very low | 40.4 | Very low | 225 Ų | 225 | 136.3 Ų | 136.3 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | trans | -5.2 | 125.6 | 148.3 | -173 | -179.5 | -171.6 | 165.6 | 2 | 119.4 | ||||
| 100 | E | 36.2 | Very low | 40.4 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -154.4 | 134.6 | 140 | -127.3 | 175.4 | 113.3 | 0 | 0 | 112.6 | ||||
| 101 | S | 36.4 | Very low | 40.1 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -122.8 | 137.4 | -176.8 | -17.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 102 | R | 40 | Very low | 40 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | -176.3 | 121.9 | 156.9 | -101.8 | 150.3 | -177.6 | -162 | 1.6 | 112.6 | S297 | R102-S297 PolarHBondContact NH2-OG 3.46Š| ||
| 103 | S | 36.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -91.8 | 158.3 | 160.5 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 104 | P | 44.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -152.6 | 139.8 | 131 | 32.1 | -11 | 0 | 0 | 0 | 118.1 | ||||
| 105 | S | 41.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 36.2 | 135.4 | 133.8 | 58.3 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 106 | N | 38.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -47.6 | 161.3 | 162.3 | -98.4 | 24.6 | 0 | 0 | 0 | 119 | ||||
| 107 | P | 47.6 | Very low | 41.4 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -103.7 | 138.5 | 146.1 | 31.5 | -18.4 | 0 | 0 | 0 | 114.4 | ||||
| 108 | S | 39.9 | Very low | 41.5 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -7.8 | 135.1 | 148 | 32.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 109 | Q | 38.3 | Very low | 42.9 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | 92.8 | 99.6 | 61.1 | -162.5 | -168.5 | 115.6 | 0 | 0 | 113.2 | |||||
| 110 | T | 38 | Very low | 44.6 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -163.2 | 125.7 | 157.2 | -22.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 111 | G | 35 | Very low | 46.3 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | cis | 126.2 | 106 | 23.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 112 | A | 42.7 | Very low | 47.9 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 160.1 | 101.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 113 | N | 36.9 | Very low | 49.5 | Very low | 175 Ų | 175 | 118.3 Ų | 118.3 | 94% | 0.936 | 72% | 0.723 | S | S | * | * | 45.6 | 107.4 | 89.9 | -83.1 | 1.4 | 0 | 0 | 0 | 114.8 | |||||
| 114 | G | 45.6 | Very low | 51.3 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | 168.4 | 93.6 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 115 | V | 43.8 | Very low | 52.5 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | trans | 85.1 | 94.3 | 145.7 | -157.4 | 0 | 0 | 0 | 0 | 119 | T117 | V115-T117 WeakPolarHBondContact CG1-OG1 3.21Å; V115-T117 PolarHBondContact O-N 2.94Å | ||
| 116 | N | 44.3 | Very low | 53.8 | Low | 174 Ų | 174 | 116 Ų | 116 | 93% | 0.93 | 69% | 0.688 | S | S | * | * | trans | -81.4 | 74.2 | 171.5 | -65 | -9.6 | 0 | 0 | 0 | 112.5 | ||||
| 117 | T | 58.2 | Low | 55.5 | Low | 77 Ų | 77 | 110.4 Ų | 110.4 | 47% | 0.472 | 66% | 0.663 | S | S | . | * | trans | -118.3 | 136.4 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | V115 A119 G120 M121 | V115-T117 WeakPolarHBondContact CG1-OG1 3.21Å; V115-T117 PolarHBondContact O-N 2.94Å; T117-A119 HydrophobicContact CG2-CB 3.89Å; T117-A119 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact O-N 3.09Å; T117-G120 WeakPolarHBondContact O-CA 3.18Å; T117-G120 PolarHBondContact O-N 2.81Å; T117-M121 PolarHBondContact O-N 3.41Å | ||
| 118 | F | 51 | Low | 56.4 | Low | 168 Ų | 168 | 109.4 Ų | 109.4 | 74% | 0.737 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -50.7 | -32 | 173.8 | 178.2 | -102.6 | 0 | 0 | 0 | 112.6 | M121 Q122 | F118-M121 PolarHBondContact O-N 3.49Å; F118-Q122 PolarHBondContact O-N 3Å |
| 119 | A | 68.7 | Low | 57.8 | Low | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.3 | -42.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T117 M121 Q122 Q123 | T117-A119 HydrophobicContact CG2-CB 3.89Å; T117-A119 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact O-N 3.09Å; A119-M121 VanDerWaalsContact C-N 3.33Å; A119-M121 PolarHBondContact O-N 3.33Å; A119-Q122 PolarHBondContact O-N 2.96Å; A119-Q123 WeakPolarHBondContact O-CB 3.29Å; A119-Q123 PolarHBondContact O-N 3.36Å |
| 120 | G | 72.4 | Confident | 59 | Low | 38 Ų | 38 | 105.5 Ų | 105.5 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.8 | -32.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T117 A124 | T117-G120 WeakPolarHBondContact O-CA 3.18Å; T117-G120 PolarHBondContact O-N 2.81Å; G120-A124 WeakPolarHBondContact O-CB 3.31Å; G120-A124 PolarHBondContact O-N 2.91Å |
| 121 | M | 71.6 | Confident | 60.8 | Low | 134 Ų | 134 | 105 Ų | 105 | 66% | 0.66 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -40 | 173.7 | -179 | 166.5 | -79.7 | 0 | 0 | 112.5 | T117 F118 A119 Q123 A124 M125 | T117-M121 PolarHBondContact O-N 3.41Å; F118-M121 PolarHBondContact O-N 3.49Å; A119-M121 VanDerWaalsContact C-N 3.33Å; A119-M121 PolarHBondContact O-N 3.33Å; M121-Q123 VanDerWaalsContact C-N 3.32Å; M121-A124 PolarHBondContact O-N 2.98Å; M121-M125 WeakPolarHBondContact O-CB 3.38Å; M121-M125 PolarHBondContact O-N 2.86Å |
| 122 | Q | 70.8 | Confident | 62.5 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.3 | -38 | 175.2 | -173.8 | 178.8 | 66.4 | 0 | 0 | 111.5 | F118 A119 M125 Q126 | F118-Q122 PolarHBondContact O-N 3Å; A119-Q122 PolarHBondContact O-N 2.96Å; Q122-M125 PolarHBondContact O-N 2.75Å; Q122-Q126 PolarHBondContact O-N 3.19Å |
| 123 | Q | 73.6 | Confident | 63.7 | Low | 136 Ų | 136 | 104 Ų | 104 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.9 | -36.6 | 178.3 | -155.1 | 164.9 | -33.6 | 0 | 0 | 112 | A119 M121 M125 Q126 A127 | A119-Q123 WeakPolarHBondContact O-CB 3.29Å; A119-Q123 PolarHBondContact O-N 3.36Å; M121-Q123 VanDerWaalsContact C-N 3.32Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.47Å |
| 124 | A | 75.3 | Confident | 65.8 | Low | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.1 | -35.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G120 M121 Q128 | G120-A124 WeakPolarHBondContact O-CB 3.31Å; G120-A124 PolarHBondContact O-N 2.91Å; M121-A124 PolarHBondContact O-N 2.98Å; A124-Q128 WeakPolarHBondContact O-CB 3.1Å; A124-Q128 PolarHBondContact O-N 3.49Å |
| 125 | M | 68.7 | Low | 67.2 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.8 | -38.1 | 176.5 | -171.3 | 164.2 | -177.5 | 0 | 0 | 111.9 | M121 Q122 Q123 Q128 V129 | M121-M125 WeakPolarHBondContact O-CB 3.38Å; M121-M125 PolarHBondContact O-N 2.86Å; Q122-M125 PolarHBondContact O-N 2.75Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; M125-Q128 PolarHBondContact O-N 2.73Å; M125-V129 HydrophobicContact CG-CG2 4.35Å; M125-V129 VanDerWaalsContact O-CB 3.28Å; M125-V129 WeakPolarHBondContact O-CB 3.43Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.98Å |
| 126 | Q | 68.4 | Low | 68.5 | Low | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -42.9 | 170.8 | -88 | -179.1 | 4.4 | 0 | 0 | 112.1 | Q122 Q123 Q128 V129 M130 | Q122-Q126 PolarHBondContact O-N 3.19Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q126-V129 PolarHBondContact O-N 3.12Å; Q126-M130 WeakPolarHBondContact O-CB 3.48Å; Q126-M130 PolarHBondContact O-N 3.07Å |
| 127 | A | 74.4 | Confident | 69.7 | Low | 37 Ų | 37 | 95.1 Ų | 95.1 | 31% | 0.306 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q123 Q131 | Q123-A127 VanDerWaalsContact O-CB 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.31Å; Q123-A127 PolarHBondContact O-N 3.47Å; A127-Q131 VanDerWaalsContact O-CB 3.26Å; A127-Q131 WeakPolarHBondContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CG 3.23Å; A127-Q131 PolarHBondContact O-N 3.42Å; A127-Q131 PolarHBondContact O-NE2 3Å; A127-Q131 VanDerWaalsContact O-NE2 3.09Å |
| 128 | Q | 66.8 | Low | 70.5 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.6 | -34.8 | 177.1 | -170.7 | 72.7 | -18.7 | 0 | 0 | 112.3 | A124 M125 Q126 M130 Q131 N132 L135 | A124-Q128 WeakPolarHBondContact O-CB 3.1Å; A124-Q128 PolarHBondContact O-N 3.49Å; M125-Q128 PolarHBondContact O-N 2.73Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 3.36Å; Q128-M130 VanDerWaalsContact C-N 3.32Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q128-N132 WeakPolarHBondContact O-CA 3.3Å; Q128-N132 VanDerWaalsContact O-CB 3.25Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 2.98Å; Q128-L135 HydrophobicContact CG-CD2 4.05Å |
| 129 | V | 69.1 | Low | 71.4 | Confident | 44 Ų | 44 | 93.4 Ų | 93.4 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -32.3 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | M125 Q126 L135 L136 | M125-V129 HydrophobicContact CG-CG2 4.35Å; M125-V129 VanDerWaalsContact O-CB 3.28Å; M125-V129 WeakPolarHBondContact O-CB 3.43Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.98Å; Q126-V129 PolarHBondContact O-N 3.12Å; V129-L135 HydrophobicContact CG2-CD2 3.74Å; V129-L135 HydrophobicContact CG2-CG 4.42Å; V129-L136 HydrophobicContact CG1-CB 4.45Å; V129-L136 HydrophobicContact CG1-CD1 4.45Å |
| 130 | M | 63.5 | Low | 71.6 | Confident | 170 Ų | 170 | 93 Ų | 93 | 84% | 0.837 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.2 | -32.1 | 171.8 | -82 | -179.8 | 158.5 | 0 | 0 | 113.4 | Q126 Q128 | Q126-M130 WeakPolarHBondContact O-CB 3.48Å; Q126-M130 PolarHBondContact O-N 3.07Å; Q128-M130 VanDerWaalsContact C-N 3.32Å |
| 131 | Q | 75.4 | Confident | 71.9 | Confident | 138 Ų | 138 | 96.9 Ų | 96.9 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -88.5 | -28.6 | 179.8 | -74.2 | 171 | 66.5 | 0 | 0 | 113.5 | A127 Q128 P133 | A127-Q131 VanDerWaalsContact O-CB 3.26Å; A127-Q131 WeakPolarHBondContact O-CB 3.24Å; A127-Q131 WeakPolarHBondContact O-CG 3.23Å; A127-Q131 PolarHBondContact O-N 3.42Å; A127-Q131 PolarHBondContact O-NE2 3Å; A127-Q131 VanDerWaalsContact O-NE2 3.09Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q131-P133 WeakPolarHBondContact O-CD 3.48Å |
| 132 | N | 70.4 | Confident | 72.3 | Confident | 67 Ų | 67 | 92.5 Ų | 92.5 | 36% | 0.358 | 48% | 0.477 | S | S | . | . | trans | -111.6 | 85.6 | 175.8 | -80.2 | 13 | 0 | 0 | 0 | 110.2 | Q128 E134 L135 L136 | Q128-N132 WeakPolarHBondContact O-CA 3.3Å; Q128-N132 VanDerWaalsContact O-CB 3.25Å; Q128-N132 WeakPolarHBondContact O-CB 3.48Å; Q128-N132 PolarHBondContact O-N 2.98Å; N132-E134 PolarHBondContact O-N 3.31Å; N132-E134 VanDerWaalsContact O-N 3.08Å; N132-L135 HydrophobicContact CB-CB 3.8Å; N132-L135 WeakPolarHBondContact O-CB 3.28Å; N132-L135 PolarHBondContact O-N 2.66Å; N132-L136 PolarHBondContact O-N 3.17Å | ||
| 133 | P | 69.7 | Low | 72.4 | Confident | 79 Ų | 79 | 91.8 Ų | 91.8 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.5 | -21.3 | 165.3 | 25.3 | -34.4 | 0 | 0 | 0 | 112.2 | Q131 R137 | Q131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-R137 PolarHBondContact O-N 3.25Å |
| 134 | E | 79.8 | Confident | 72.8 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.7 | -32.3 | 171.6 | -68.2 | -62 | 111.5 | 0 | 0 | 113.3 | N132 R137 N138 | N132-E134 PolarHBondContact O-N 3.31Å; N132-E134 VanDerWaalsContact O-N 3.08Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-R137 VanDerWaalsContact OE1-CD 3.3Å; E134-R137 WeakPolarHBondContact OE1-CD 3.37Å; E134-R137 IonicContact OE1-NE 3.97Å; E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.97Å; E134-N138 PolarHBondContact O-ND2 3.47Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å |
| 135 | L | 75.9 | Confident | 72.9 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 175.4 | -179.8 | 65.8 | 0 | 0 | 0 | 110.6 | Q128 V129 N132 N138 M139 | Q128-L135 HydrophobicContact CG-CD2 4.05Å; V129-L135 HydrophobicContact CG2-CD2 3.74Å; V129-L135 HydrophobicContact CG2-CG 4.42Å; N132-L135 HydrophobicContact CB-CB 3.8Å; N132-L135 WeakPolarHBondContact O-CB 3.28Å; N132-L135 PolarHBondContact O-N 2.66Å; L135-N138 PolarHBondContact O-N 2.97Å; L135-M139 WeakPolarHBondContact O-CB 3.49Å; L135-M139 PolarHBondContact O-N 2.94Å |
| 136 | L | 69.4 | Low | 73.1 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 174 | -175.2 | 63.9 | 0 | 0 | 0 | 111.1 | V129 N132 M139 L140 | V129-L136 HydrophobicContact CG1-CB 4.45Å; V129-L136 HydrophobicContact CG1-CD1 4.45Å; N132-L136 PolarHBondContact O-N 3.17Å; L136-M139 PolarHBondContact O-N 2.69Å; L136-L140 HydrophobicContact CD1-CD1 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.39Å; L136-L140 WeakPolarHBondContact O-CD1 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 3.25Å |
| 137 | R | 69.7 | Low | 73.5 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 170.5 | -87.8 | 171.8 | 132.8 | 114.7 | -28.9 | 112 | P133 E134 M139 L140 D141 | P133-R137 PolarHBondContact O-N 3.25Å; E134-R137 PolarHBondContact O-N 2.93Å; E134-R137 VanDerWaalsContact OE1-CD 3.3Å; E134-R137 WeakPolarHBondContact OE1-CD 3.37Å; E134-R137 IonicContact OE1-NE 3.97Å; R137-M139 PolarHBondContact O-N 3.25Å; R137-L140 PolarHBondContact O-N 2.94Å; R137-D141 WeakPolarHBondContact O-CB 3.41Å; R137-D141 PolarHBondContact O-N 2.64Å |
| 138 | N | 76.4 | Confident | 73.6 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 57% | 0.572 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -30.4 | 177.5 | -72.8 | -30.9 | 0 | 0 | 0 | 112.8 | E134 L135 S142 | E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.97Å; E134-N138 PolarHBondContact O-ND2 3.47Å; E134-N138 VanDerWaalsContact O-ND2 3.12Å; L135-N138 PolarHBondContact O-N 2.97Å; N138-S142 PolarHBondContact O-N 3.21Å |
| 139 | M | 68.6 | Low | 73.8 | Confident | 102 Ų | 102 | 80.3 Ų | 80.3 | 50% | 0.502 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.5 | -40.7 | 174.6 | -175 | 174.1 | 158.2 | 0 | 0 | 111.9 | L135 L136 R137 D141 S142 V145 | L135-M139 WeakPolarHBondContact O-CB 3.49Å; L135-M139 PolarHBondContact O-N 2.94Å; L136-M139 PolarHBondContact O-N 2.69Å; R137-M139 PolarHBondContact O-N 3.25Å; M139-D141 VanDerWaalsContact C-N 3.31Å; M139-S142 WeakPolarHBondContact O-CB 3.41Å; M139-S142 PolarHBondContact O-N 2.78Å; M139-V145 HydrophobicContact CG-CG2 4.31Å; M139-V145 WeakPolarHBondContact O-CB 3.44Å; M139-V145 WeakPolarHBondContact O-CG2 2.87Å |
| 140 | L | 74.4 | Confident | 74.4 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 23% | 0.225 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.8 | -33.1 | 174 | -73 | 167 | 0 | 0 | 0 | 112.4 | L136 R137 S142 V145 M149 | L136-L140 HydrophobicContact CD1-CD1 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.42Å; L136-L140 HydrophobicContact CG-CD1 3.89Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.39Å; L136-L140 WeakPolarHBondContact O-CD1 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 3.25Å; R137-L140 PolarHBondContact O-N 2.94Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-V145 HydrophobicContact CD2-CG1 4.36Å; L140-M149 HydrophobicContact CD2-CE 3.11Å; L140-M149 HydrophobicContact CD2-SD 4.04Å |
| 141 | D | 78.9 | Confident | 75.3 | Confident | 121 Ų | 121 | 76.3 Ų | 76.3 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.3 | 176.3 | -154.4 | -109.1 | 0 | 0 | 0 | 112.1 | R137 M139 | R137-D141 WeakPolarHBondContact O-CB 3.41Å; R137-D141 PolarHBondContact O-N 2.64Å; M139-D141 VanDerWaalsContact C-N 3.31Å |
| 142 | S | 78.2 | Confident | 75.2 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -63.9 | 132 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | N138 M139 L140 L144 V145 Q146 | N138-S142 PolarHBondContact O-N 3.21Å; M139-S142 WeakPolarHBondContact O-CB 3.41Å; M139-S142 PolarHBondContact O-N 2.78Å; L140-S142 VanDerWaalsContact C-N 3.27Å; S142-L144 PolarHBondContact O-N 3.04Å; S142-V145 CarbonylContact O-C 3.57Å; S142-V145 WeakPolarHBondContact O-CA 3.17Å; S142-V145 PolarHBondContact O-N 3.32Å; S142-Q146 PolarHBondContact O-N 3.46Å |
| 143 | P | 74.6 | Confident | 75.8 | Confident | 100 Ų | 100 | 74 Ų | 74 | 65% | 0.649 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.8 | -26 | -179.3 | 20.4 | -31.7 | 0 | 0 | 0 | 113.3 | S147 | P143-S147 VanDerWaalsContact O-CB 3.25Å; P143-S147 WeakPolarHBondContact O-CB 3.08Å; P143-S147 PolarHBondContact O-N 3.1Å; P143-S147 PolarHBondContact O-OG 2.91Å |
| 144 | L | 80.7 | Confident | 76.4 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 48% | 0.476 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 171.2 | 172.2 | 61.2 | 0 | 0 | 0 | 111.9 | S142 S147 L148 Y330 | S142-L144 PolarHBondContact O-N 3.04Å; L144-S147 PolarHBondContact O-N 3.21Å; L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.44Å; L144-Y330 HydrophobicContact CD1-CE1 4.24Å; L144-Y330 HydrophobicContact CD1-CE2 4.37Å; L144-Y330 WeakPolarHBondContact CD1-OH 3.47Å |
| 145 | V | 77.1 | Confident | 76.3 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.7 | -37.3 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | M139 L140 S142 S147 L148 M149 | M139-V145 HydrophobicContact CG-CG2 4.31Å; M139-V145 WeakPolarHBondContact O-CB 3.44Å; M139-V145 WeakPolarHBondContact O-CG2 2.87Å; L140-V145 HydrophobicContact CD2-CG1 4.36Å; S142-V145 CarbonylContact O-C 3.57Å; S142-V145 WeakPolarHBondContact O-CA 3.17Å; S142-V145 PolarHBondContact O-N 3.32Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.94Å; V145-L148 CarbonylContact O-C 3.48Å; V145-L148 WeakPolarHBondContact O-CB 3.14Å; V145-L148 PolarHBondContact O-N 3.29Å; V145-L148 VanDerWaalsContact O-N 3.16Å; V145-M149 HydrophobicContact CG1-CE 3.7Å; V145-M149 HydrophobicContact CG1-CG 3.98Å; V145-M149 HydrophobicContact CG1-SD 3.85Å; V145-M149 WeakPolarHBondContact O-CB 3.25Å; V145-M149 WeakPolarHBondContact O-CG 3.22Å; V145-M149 PolarHBondContact O-N 3.1Å |
| 146 | Q | 73.4 | Confident | 76.4 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 172.7 | -171.5 | 54.7 | 62.4 | 0 | 0 | 112.2 | S142 S150 R193 | S142-Q146 PolarHBondContact O-N 3.46Å; Q146-S150 WeakPolarHBondContact O-CB 3.09Å; Q146-S150 PolarHBondContact O-N 3.07Å; Q146-S150 PolarHBondContact O-OG 3.02Å; Q146-S150 VanDerWaalsContact O-OG 3.04Å; Q146-R193 VanDerWaalsContact CD-NH1 3.28Å; Q146-R193 VanDerWaalsContact NE2-NH1 3.13Å |
| 147 | S | 77 | Confident | 77 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.1 | -36.5 | 174.4 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | P143 L144 V145 S150 N151 | P143-S147 VanDerWaalsContact O-CB 3.25Å; P143-S147 WeakPolarHBondContact O-CB 3.08Å; P143-S147 PolarHBondContact O-N 3.1Å; P143-S147 PolarHBondContact O-OG 2.91Å; L144-S147 PolarHBondContact O-N 3.21Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 2.94Å; S147-S150 WeakPolarHBondContact CA-OG 3.28Å; S147-S150 PolarHBondContact O-OG 3.06Å; S147-N151 WeakPolarHBondContact O-CB 3.43Å; S147-N151 PolarHBondContact O-N 3.39Å; S147-N151 PolarHBondContact O-ND2 3.27Å |
| 148 | L | 77.3 | Confident | 77.5 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 171.7 | -178.4 | 61 | 0 | 0 | 0 | 110.2 | L144 V145 N151 V154 I155 L158 | L144-L148 WeakPolarHBondContact O-CB 3.16Å; L144-L148 PolarHBondContact O-N 3.44Å; V145-L148 CarbonylContact O-C 3.48Å; V145-L148 WeakPolarHBondContact O-CB 3.14Å; V145-L148 PolarHBondContact O-N 3.29Å; V145-L148 VanDerWaalsContact O-N 3.16Å; L148-N151 CarbonylContact O-C 3.58Å; L148-N151 PolarHBondContact O-N 3.48Å; L148-N151 VanDerWaalsContact O-N 3.1Å; L148-V154 HydrophobicContact CD1-CB 3.9Å; L148-V154 HydrophobicContact CD1-CG1 3.37Å; L148-I155 HydrophobicContact CD1-CG1 3.8Å; L148-I155 HydrophobicContact CG-CD1 4.38Å; L148-I155 HydrophobicContact CG-CG1 3.73Å; L148-I155 WeakPolarHBondContact O-CD1 3.26Å; L148-I155 VanDerWaalsContact O-CG1 3.25Å; L148-I155 WeakPolarHBondContact O-CG1 3.46Å; L148-L158 HydrophobicContact CD1-CD2 4.29Å; L148-L158 HydrophobicContact CD2-CD2 3.81Å |
| 149 | M | 70.9 | Confident | 77.4 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 179 | -71.9 | -169.8 | 164.5 | 0 | 0 | 114 | L140 V145 N151 I155 M189 | L140-M149 HydrophobicContact CD2-CE 3.11Å; L140-M149 HydrophobicContact CD2-SD 4.04Å; V145-M149 HydrophobicContact CG1-CE 3.7Å; V145-M149 HydrophobicContact CG1-CG 3.98Å; V145-M149 HydrophobicContact CG1-SD 3.85Å; V145-M149 WeakPolarHBondContact O-CB 3.25Å; V145-M149 WeakPolarHBondContact O-CG 3.22Å; V145-M149 PolarHBondContact O-N 3.1Å; M149-N151 PolarHBondContact O-N 2.82Å; M149-I155 HydrophobicContact CG-CD1 4.46Å; M149-M189 HydrophobicContact CB-SD 3.87Å; M149-M189 HydrophobicContact CE-CE 3.73Å; M149-M189 HydrophobicContact CE-CG 4.41Å; M149-M189 HydrophobicContact CE-SD 3.77Å; M149-M189 HydrophobicContact CG-CE 3.99Å; M149-M189 HydrophobicContact CG-SD 3.47Å; M149-M189 WeakPolarHBondContact CG-SD 3.16Å; M149-M189 HydrophobicContact SD-CE 4.42Å; M149-M189 HydrophobicContact SD-SD 3.73Å |
| 150 | S | 81.1 | Confident | 78 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.6 | -17.2 | 173.2 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | Q146 S147 P152 | Q146-S150 WeakPolarHBondContact O-CB 3.09Å; Q146-S150 PolarHBondContact O-N 3.07Å; Q146-S150 PolarHBondContact O-OG 3.02Å; Q146-S150 VanDerWaalsContact O-OG 3.04Å; S147-S150 WeakPolarHBondContact CA-OG 3.28Å; S147-S150 PolarHBondContact O-OG 3.06Å; S150-P152 VanDerWaalsContact O-CD 3.25Å; S150-P152 WeakPolarHBondContact O-CD 3.46Å |
| 151 | N | 82.3 | Confident | 78.4 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | trans | -112.8 | 87.3 | -176.3 | -72.1 | -49.2 | 0 | 0 | 0 | 110.9 | S147 L148 M149 E153 V154 I155 | S147-N151 WeakPolarHBondContact O-CB 3.43Å; S147-N151 PolarHBondContact O-N 3.39Å; S147-N151 PolarHBondContact O-ND2 3.27Å; L148-N151 CarbonylContact O-C 3.58Å; L148-N151 PolarHBondContact O-N 3.48Å; L148-N151 VanDerWaalsContact O-N 3.1Å; M149-N151 PolarHBondContact O-N 2.82Å; N151-E153 PolarHBondContact O-N 3.2Å; N151-E153 VanDerWaalsContact O-N 3.1Å; N151-V154 HydrophobicContact CB-CB 4.06Å; N151-V154 HydrophobicContact CB-CG2 3.75Å; N151-V154 PolarHBondContact O-N 3.14Å; N151-I155 PolarHBondContact O-N 2.86Å; N151-I155 VanDerWaalsContact O-N 3.15Å | ||
| 152 | P | 73.7 | Confident | 78.5 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -27.4 | -179.8 | 24.6 | -34.4 | 0 | 0 | 0 | 112.6 | S150 I155 R156 P182 | S150-P152 VanDerWaalsContact O-CD 3.25Å; S150-P152 WeakPolarHBondContact O-CD 3.46Å; P152-I155 PolarHBondContact O-N 3.31Å; P152-R156 WeakPolarHBondContact O-CB 3.25Å; P152-R156 VanDerWaalsContact O-CG 3.27Å; P152-R156 WeakPolarHBondContact O-CG 3.25Å; P152-R156 PolarHBondContact O-N 3.17Å; P152-P182 HydrophobicContact CB-CB 4.19Å; P152-P182 HydrophobicContact CG-CB 4.45Å |
| 153 | E | 83.3 | Confident | 78.6 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.2 | -37.4 | 176.2 | -66 | -53.1 | 132.3 | 0 | 0 | 113.2 | N151 R156 S157 | N151-E153 PolarHBondContact O-N 3.2Å; N151-E153 VanDerWaalsContact O-N 3.1Å; E153-R156 PolarHBondContact O-N 3.23Å; E153-R156 IonicContact OE1-CZ 3.45Å; E153-R156 IonicContact OE1-NH1 3.34Å; E153-R156 PolarHBondContact OE1-NH1 3.42Å; E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.08Å |
| 154 | V | 82.3 | Confident | 78.9 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.2 | -38.3 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 110 | L148 N151 S157 L158 | L148-V154 HydrophobicContact CD1-CB 3.9Å; L148-V154 HydrophobicContact CD1-CG1 3.37Å; N151-V154 HydrophobicContact CB-CB 4.06Å; N151-V154 HydrophobicContact CB-CG2 3.75Å; N151-V154 PolarHBondContact O-N 3.14Å; V154-S157 PolarHBondContact O-N 2.94Å; V154-L158 VanDerWaalsContact O-CB 3.32Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 PolarHBondContact O-N 2.83Å |
| 155 | I | 76.6 | Confident | 78.7 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 172.2 | -78.2 | 174.1 | 0 | 0 | 0 | 111 | L148 M149 N151 P152 S157 L158 F159 L179 L185 M189 | L148-I155 HydrophobicContact CD1-CG1 3.8Å; L148-I155 HydrophobicContact CG-CD1 4.38Å; L148-I155 HydrophobicContact CG-CG1 3.73Å; L148-I155 WeakPolarHBondContact O-CD1 3.26Å; L148-I155 VanDerWaalsContact O-CG1 3.25Å; L148-I155 WeakPolarHBondContact O-CG1 3.46Å; M149-I155 HydrophobicContact CG-CD1 4.46Å; N151-I155 PolarHBondContact O-N 2.86Å; N151-I155 VanDerWaalsContact O-N 3.15Å; P152-I155 PolarHBondContact O-N 3.31Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.34Å; I155-L158 PolarHBondContact O-N 3.14Å; I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 3.6Å; I155-F159 HydrophobicContact CG2-CG 4.42Å; I155-F159 HydrophobicContact CG2-CZ 4.31Å; I155-F159 VanDerWaalsContact O-CB 3.31Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 3.39Å; I155-L179 HydrophobicContact CG2-CD2 4.34Å; I155-L185 HydrophobicContact CD1-CD2 4.11Å; I155-L185 HydrophobicContact CG2-CD1 4.15Å; I155-M189 HydrophobicContact CD1-CE 3.79Å; I155-M189 HydrophobicContact CD1-SD 4.34Å |
| 156 | R | 79.1 | Confident | 78.8 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 177.2 | -78.6 | 171.7 | 177 | 171.3 | -7.1 | 111.5 | P152 E153 F159 Q160 L179 N180 | P152-R156 WeakPolarHBondContact O-CB 3.25Å; P152-R156 VanDerWaalsContact O-CG 3.27Å; P152-R156 WeakPolarHBondContact O-CG 3.25Å; P152-R156 PolarHBondContact O-N 3.17Å; E153-R156 PolarHBondContact O-N 3.23Å; E153-R156 IonicContact OE1-CZ 3.45Å; E153-R156 IonicContact OE1-NH1 3.34Å; E153-R156 PolarHBondContact OE1-NH1 3.42Å; R156-F159 PolarHBondContact O-N 3.01Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 3.31Å; R156-L179 PolarHBondContact NE-O 2.95Å; R156-N180 PolarHBondContact NH2-O 3.33Å |
| 157 | S | 81.6 | Confident | 79.3 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 53% | 0.531 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.1 | -176.2 | 0 | 0 | 0 | 0 | 112 | E153 V154 I155 Q160 A161 | E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 3.08Å; V154-S157 PolarHBondContact O-N 2.94Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 3.34Å; S157-Q160 PolarHBondContact O-N 3.48Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.28Å |
| 158 | L | 80.1 | Confident | 79.3 | Confident | 88 Ų | 88 | 73 Ų | 73 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 179.3 | -173.8 | 68.2 | 0 | 0 | 0 | 112.4 | L148 V154 I155 A161 N162 | L148-L158 HydrophobicContact CD1-CD2 4.29Å; L148-L158 HydrophobicContact CD2-CD2 3.81Å; V154-L158 VanDerWaalsContact O-CB 3.32Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 PolarHBondContact O-N 2.83Å; I155-L158 PolarHBondContact O-N 3.14Å; L158-A161 PolarHBondContact O-N 3.39Å; L158-N162 VanDerWaalsContact O-CB 3.3Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 2.88Å |
| 159 | F | 74 | Confident | 79.3 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 17% | 0.171 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.5 | -36.2 | 178.2 | -85.1 | -119.3 | 0 | 0 | 0 | 111.7 | I155 R156 M165 L179 | I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 3.6Å; I155-F159 HydrophobicContact CG2-CG 4.42Å; I155-F159 HydrophobicContact CG2-CZ 4.31Å; I155-F159 VanDerWaalsContact O-CB 3.31Å; I155-F159 WeakPolarHBondContact O-CB 3.48Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 3.39Å; R156-F159 PolarHBondContact O-N 3.01Å; F159-M165 HydrophobicContact CB-CB 4.48Å; F159-M165 HydrophobicContact CD1-CB 4.33Å; F159-M165 HydrophobicContact CD1-CE 3.31Å; F159-M165 HydrophobicContact CD1-CG 3.97Å; F159-M165 HydrophobicContact CD1-SD 3.27Å; F159-M165 WeakPolarHBondContact CD1-SD 3.39Å; F159-M165 HydrophobicContact CD2-CE 3.77Å; F159-M165 HydrophobicContact CE1-CE 2.98Å; F159-M165 HydrophobicContact CE1-CG 4.48Å; F159-M165 HydrophobicContact CE1-SD 3.3Å; F159-M165 WeakPolarHBondContact CE1-SD 3.29Å; F159-M165 HydrophobicContact CE2-CE 3.47Å; F159-M165 VanDerWaalsContact CE2-CE 3.47Å; F159-M165 HydrophobicContact CG-CE 3.73Å; F159-M165 HydrophobicContact CG-CG 4.24Å; F159-M165 HydrophobicContact CG-SD 4.06Å; F159-M165 HydrophobicContact CZ-CE 3.1Å; F159-M165 HydrophobicContact CZ-SD 4.08Å; F159-M165 VanDerWaalsContact O-CB 3.31Å; F159-M165 WeakPolarHBondContact O-CB 3.26Å; F159-L179 HydrophobicContact CD1-CD1 3.47Å; F159-L179 VanDerWaalsContact CD1-CD1 3.47Å; F159-L179 HydrophobicContact CD1-CD2 3.39Å; F159-L179 HydrophobicContact CD1-CG 4.08Å; F159-L179 HydrophobicContact CE1-CD1 3.89Å; F159-L179 HydrophobicContact CE1-CD2 3.4Å; F159-L179 HydrophobicContact CE1-CG 4.22Å; F159-L179 HydrophobicContact CG-CD1 4.43Å; F159-L179 HydrophobicContact CG-CD2 3.95Å; F159-L179 HydrophobicContact CZ-CD2 4Å |
| 160 | Q | 80.8 | Confident | 79.8 | Confident | 122 Ų | 122 | 79 Ų | 79 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75 | -31 | 175.2 | -170.7 | 174.2 | -0.8 | 0 | 0 | 112.1 | R156 S157 N162 | R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 3.31Å; S157-Q160 PolarHBondContact O-N 3.48Å; Q160-N162 VanDerWaalsContact C-N 3.32Å |
| 161 | A | 83.2 | Confident | 79.8 | Confident | 76 Ų | 76 | 84.8 Ų | 84.8 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -74.9 | -21.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S157 L158 P163 | S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.28Å; L158-A161 PolarHBondContact O-N 3.39Å; A161-P163 WeakPolarHBondContact O-CD 3.46Å |
| 162 | N | 80.4 | Confident | 79.4 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 32% | 0.316 | 43% | 0.428 | S | S | . | . | trans | -94.7 | 111.5 | -176.3 | -157.7 | -8.8 | 0 | 0 | 0 | 111.4 | L158 Q160 Q164 M165 R166 | L158-N162 VanDerWaalsContact O-CB 3.3Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 2.88Å; Q160-N162 VanDerWaalsContact C-N 3.32Å; N162-Q164 PolarHBondContact O-N 3.48Å; N162-M165 HydrophobicContact CB-CB 4.18Å; N162-M165 HydrophobicContact CB-CG 4.08Å; N162-M165 WeakPolarHBondContact O-CB 3.35Å; N162-M165 PolarHBondContact O-N 3.43Å; N162-R166 PolarHBondContact O-N 3.41Å | ||
| 163 | P | 80.8 | Confident | 79.8 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 64% | 0.643 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.4 | -29.8 | -177 | 22.6 | -32.8 | 0 | 0 | 0 | 113.2 | A161 M165 R166 D167 | A161-P163 WeakPolarHBondContact O-CD 3.46Å; P163-M165 VanDerWaalsContact C-N 3.32Å; P163-M165 PolarHBondContact O-N 3.2Å; P163-R166 PolarHBondContact O-N 3.18Å; P163-D167 PolarHBondContact O-N 2.81Å |
| 164 | Q | 81.1 | Confident | 79.7 | Confident | 152 Ų | 152 | 87.6 Ų | 87.6 | 71% | 0.71 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68 | -31.8 | 176.2 | -63.4 | -179 | -54.5 | 0 | 0 | 112.7 | N162 L168 | N162-Q164 PolarHBondContact O-N 3.48Å; Q164-L168 WeakPolarHBondContact O-CB 3.32Å; Q164-L168 PolarHBondContact O-N 3.04Å; Q164-L168 VanDerWaalsContact O-N 3.16Å |
| 165 | M | 75.9 | Confident | 79.3 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 22% | 0.222 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.8 | -32.2 | 176.5 | -79.8 | -78.2 | -153.1 | 0 | 0 | 112 | F159 N162 P163 L168 I169 | F159-M165 HydrophobicContact CB-CB 4.48Å; F159-M165 HydrophobicContact CD1-CB 4.33Å; F159-M165 HydrophobicContact CD1-CE 3.31Å; F159-M165 HydrophobicContact CD1-CG 3.97Å; F159-M165 HydrophobicContact CD1-SD 3.27Å; F159-M165 WeakPolarHBondContact CD1-SD 3.39Å; F159-M165 HydrophobicContact CD2-CE 3.77Å; F159-M165 HydrophobicContact CE1-CE 2.98Å; F159-M165 HydrophobicContact CE1-CG 4.48Å; F159-M165 HydrophobicContact CE1-SD 3.3Å; F159-M165 WeakPolarHBondContact CE1-SD 3.29Å; F159-M165 HydrophobicContact CE2-CE 3.47Å; F159-M165 VanDerWaalsContact CE2-CE 3.47Å; F159-M165 HydrophobicContact CG-CE 3.73Å; F159-M165 HydrophobicContact CG-CG 4.24Å; F159-M165 HydrophobicContact CG-SD 4.06Å; F159-M165 HydrophobicContact CZ-CE 3.1Å; F159-M165 HydrophobicContact CZ-SD 4.08Å; F159-M165 VanDerWaalsContact O-CB 3.31Å; F159-M165 WeakPolarHBondContact O-CB 3.26Å; N162-M165 HydrophobicContact CB-CB 4.18Å; N162-M165 HydrophobicContact CB-CG 4.08Å; N162-M165 WeakPolarHBondContact O-CB 3.35Å; N162-M165 PolarHBondContact O-N 3.43Å; P163-M165 VanDerWaalsContact C-N 3.32Å; P163-M165 PolarHBondContact O-N 3.2Å; M165-L168 PolarHBondContact O-N 3.34Å; M165-L168 HydrophobicContact SD-CD2 4.26Å; M165-I169 WeakPolarHBondContact O-CB 3.37Å; M165-I169 WeakPolarHBondContact O-CD1 3.43Å; M165-I169 WeakPolarHBondContact O-CG1 3.16Å; M165-I169 PolarHBondContact O-N 3.24Å |
| 166 | R | 78.9 | Confident | 79.5 | Confident | 125 Ų | 125 | 86.6 Ų | 86.6 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 175.8 | -74 | -173.8 | 146.6 | 166.7 | -7.8 | 111.7 | N162 P163 L168 I169 E170 | N162-R166 PolarHBondContact O-N 3.41Å; P163-R166 PolarHBondContact O-N 3.18Å; R166-L168 PolarHBondContact O-N 3.35Å; R166-I169 PolarHBondContact O-N 3.26Å; R166-E170 WeakPolarHBondContact O-CB 3.28Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.15Å; R166-E170 PolarHBondContact O-N 2.89Å |
| 167 | D | 84 | Confident | 79.6 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -35.7 | 172.9 | 173.7 | -93.9 | 0 | 0 | 0 | 111.4 | P163 E170 R171 | P163-D167 PolarHBondContact O-N 2.81Å; D167-E170 PolarHBondContact O-N 3.04Å; D167-R171 VanDerWaalsContact CG-CZ 3.48Å; D167-R171 VanDerWaalsContact CG-NE 3.33Å; D167-R171 VanDerWaalsContact CG-NH2 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.25Å; D167-R171 WeakPolarHBondContact O-CG 3.43Å; D167-R171 PolarHBondContact O-N 3.48Å; D167-R171 WeakPolarHBondContact OD1-CD 3.31Å; D167-R171 IonicContact OD1-CZ 3.37Å; D167-R171 IonicContact OD1-NE 3.03Å; D167-R171 PolarHBondContact OD1-NE 3.01Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 PolarHBondContact OD1-NH1 3.13Å; D167-R171 IonicContact OD1-NH2 2.75Å; D167-R171 PolarHBondContact OD1-NH2 3.4Å; D167-R171 IonicContact OD2-CZ 2.86Å; D167-R171 IonicContact OD2-NE 2.83Å; D167-R171 PolarHBondContact OD2-NE 3.3Å; D167-R171 IonicContact OD2-NH2 3.45Å; D167-R171 PolarHBondContact OD2-NH2 3.03Å |
| 168 | L | 77.1 | Confident | 79.3 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 175.4 | -173.8 | 63.2 | 0 | 0 | 0 | 113.5 | Q164 M165 R166 E170 R171 N172 L175 | Q164-L168 WeakPolarHBondContact O-CB 3.32Å; Q164-L168 PolarHBondContact O-N 3.04Å; Q164-L168 VanDerWaalsContact O-N 3.16Å; M165-L168 PolarHBondContact O-N 3.34Å; M165-L168 HydrophobicContact SD-CD2 4.26Å; R166-L168 PolarHBondContact O-N 3.35Å; L168-E170 VanDerWaalsContact C-N 3.33Å; L168-R171 PolarHBondContact O-N 3.5Å; L168-N172 WeakPolarHBondContact O-CB 3.36Å; L168-N172 PolarHBondContact O-N 2.8Å; L168-L175 HydrophobicContact CD1-CD1 4.01Å; L168-L175 HydrophobicContact CD2-CD1 3.78Å; L168-L175 HydrophobicContact CG-CD1 3.54Å |
| 169 | I | 79.1 | Confident | 78.9 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 27% | 0.272 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 174.3 | -68.9 | 162.3 | 0 | 0 | 0 | 110.4 | M165 R166 N172 L179 | M165-I169 WeakPolarHBondContact O-CB 3.37Å; M165-I169 WeakPolarHBondContact O-CD1 3.43Å; M165-I169 WeakPolarHBondContact O-CG1 3.16Å; M165-I169 PolarHBondContact O-N 3.24Å; R166-I169 PolarHBondContact O-N 3.26Å; I169-N172 CarbonylContact O-C 3.57Å; I169-N172 VanDerWaalsContact O-O 3.12Å; I169-L179 HydrophobicContact CD1-CD1 3.48Å; I169-L179 VanDerWaalsContact CD1-CD1 3.48Å; I169-L179 HydrophobicContact CG1-CD1 3.57Å |
| 170 | E | 80.9 | Confident | 79.3 | Confident | 155 Ų | 155 | 86.9 Ų | 86.9 | 72% | 0.724 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.6 | -36.7 | 173.7 | -73 | 169.5 | -174.4 | 0 | 0 | 111.6 | R166 D167 L168 | R166-E170 WeakPolarHBondContact O-CB 3.28Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.15Å; R166-E170 PolarHBondContact O-N 2.89Å; D167-E170 PolarHBondContact O-N 3.04Å; L168-E170 VanDerWaalsContact C-N 3.33Å |
| 171 | R | 81.1 | Confident | 79.5 | Confident | 172 Ų | 172 | 85 Ų | 85 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77.8 | -23.9 | 176.9 | -73.4 | 173.2 | -170.5 | -171.3 | 12.7 | 114 | D167 L168 | D167-R171 VanDerWaalsContact CG-CZ 3.48Å; D167-R171 VanDerWaalsContact CG-NE 3.33Å; D167-R171 VanDerWaalsContact CG-NH2 3.28Å; D167-R171 WeakPolarHBondContact O-CB 3.25Å; D167-R171 WeakPolarHBondContact O-CG 3.43Å; D167-R171 PolarHBondContact O-N 3.48Å; D167-R171 WeakPolarHBondContact OD1-CD 3.31Å; D167-R171 IonicContact OD1-CZ 3.37Å; D167-R171 IonicContact OD1-NE 3.03Å; D167-R171 PolarHBondContact OD1-NE 3.01Å; D167-R171 IonicContact OD1-NH1 3.94Å; D167-R171 PolarHBondContact OD1-NH1 3.13Å; D167-R171 IonicContact OD1-NH2 2.75Å; D167-R171 PolarHBondContact OD1-NH2 3.4Å; D167-R171 IonicContact OD2-CZ 2.86Å; D167-R171 IonicContact OD2-NE 2.83Å; D167-R171 PolarHBondContact OD2-NE 3.3Å; D167-R171 IonicContact OD2-NH2 3.45Å; D167-R171 PolarHBondContact OD2-NH2 3.03Å; L168-R171 PolarHBondContact O-N 3.5Å |
| 172 | N | 73.5 | Confident | 79.1 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | trans | -131.9 | 95.8 | -179.3 | -82.4 | -72.3 | 0 | 0 | 0 | 110.5 | L168 I169 E174 L175 G176 | L168-N172 WeakPolarHBondContact O-CB 3.36Å; L168-N172 PolarHBondContact O-N 2.8Å; I169-N172 CarbonylContact O-C 3.57Å; I169-N172 VanDerWaalsContact O-O 3.12Å; N172-E174 PolarHBondContact O-N 3.21Å; N172-E174 VanDerWaalsContact O-N 3.14Å; N172-L175 HydrophobicContact CB-CB 3.99Å; N172-L175 HydrophobicContact CB-CD1 3.69Å; N172-L175 HydrophobicContact CB-CG 3.76Å; N172-L175 WeakPolarHBondContact O-CB 3.15Å; N172-L175 PolarHBondContact O-N 2.84Å; N172-G176 PolarHBondContact O-N 3.46Å | ||
| 173 | P | 81.6 | Confident | 79.3 | Confident | 84 Ų | 84 | 86.1 Ų | 86.1 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.3 | -27.8 | 176.3 | 23.3 | -32.9 | 0 | 0 | 0 | 112.3 | L175 G176 H177 | P173-L175 VanDerWaalsContact C-N 3.35Å; P173-G176 WeakPolarHBondContact O-CA 3.22Å; P173-G176 PolarHBondContact O-N 3.4Å; P173-H177 PolarHBondContact O-N 3.31Å; P173-H177 PolarHBondContact O-ND1 2.98Å |
| 174 | E | 82.6 | Confident | 79.4 | Confident | 137 Ų | 137 | 84.3 Ų | 84.3 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 172 | -68.2 | -61.5 | 132.5 | 0 | 0 | 112.6 | N172 G176 H177 M178 | N172-E174 PolarHBondContact O-N 3.21Å; N172-E174 VanDerWaalsContact O-N 3.14Å; E174-G176 VanDerWaalsContact C-N 3.31Å; E174-H177 PolarHBondContact O-N 3.45Å; E174-M178 WeakPolarHBondContact O-CB 3.37Å; E174-M178 PolarHBondContact O-N 3.49Å |
| 175 | L | 73.7 | Confident | 79.2 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 175.5 | -70.9 | 176.9 | 0 | 0 | 0 | 110.9 | L168 N172 P173 M178 L179 | L168-L175 HydrophobicContact CD1-CD1 4.01Å; L168-L175 HydrophobicContact CD2-CD1 3.78Å; L168-L175 HydrophobicContact CG-CD1 3.54Å; N172-L175 HydrophobicContact CB-CB 3.99Å; N172-L175 HydrophobicContact CB-CD1 3.69Å; N172-L175 HydrophobicContact CB-CG 3.76Å; N172-L175 WeakPolarHBondContact O-CB 3.15Å; N172-L175 PolarHBondContact O-N 2.84Å; P173-L175 VanDerWaalsContact C-N 3.35Å; L175-M178 HydrophobicContact CD2-CE 3.48Å; L175-M178 VanDerWaalsContact CD2-CE 3.48Å; L175-M178 HydrophobicContact CD2-SD 4.43Å; L175-M178 PolarHBondContact O-N 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CD1 3.32Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.38Å |
| 176 | G | 80.1 | Confident | 79.4 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 9% | 0.093 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | N172 P173 E174 L179 N180 | N172-G176 PolarHBondContact O-N 3.46Å; P173-G176 WeakPolarHBondContact O-CA 3.22Å; P173-G176 PolarHBondContact O-N 3.4Å; E174-G176 VanDerWaalsContact C-N 3.31Å; G176-L179 PolarHBondContact O-N 3.33Å; G176-N180 WeakPolarHBondContact O-CB 3.4Å; G176-N180 PolarHBondContact O-N 2.88Å; G176-N180 PolarHBondContact O-ND2 3.3Å |
| 177 | H | 81 | Confident | 79.5 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 178 | -70.9 | 87.5 | 0 | 0 | 0 | 112.4 | P173 E174 N180 N181 | P173-H177 PolarHBondContact O-N 3.31Å; P173-H177 PolarHBondContact O-ND1 2.98Å; E174-H177 PolarHBondContact O-N 3.45Å; H177-N180 PolarHBondContact O-N 3.45Å; H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.45Å; H177-N181 PolarHBondContact O-N 3.3Å; H177-N181 PolarHBondContact O-ND2 3.18Å |
| 178 | M | 74.8 | Confident | 79.2 | Confident | 43 Ų | 43 | 80 Ų | 80 | 21% | 0.212 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.2 | -171.4 | 178.7 | 77.9 | 0 | 0 | 112.2 | E174 L175 L184 L185 S188 | E174-M178 WeakPolarHBondContact O-CB 3.37Å; E174-M178 PolarHBondContact O-N 3.49Å; L175-M178 HydrophobicContact CD2-CE 3.48Å; L175-M178 VanDerWaalsContact CD2-CE 3.48Å; L175-M178 HydrophobicContact CD2-SD 4.43Å; L175-M178 PolarHBondContact O-N 3.28Å; M178-L184 HydrophobicContact CB-CD2 4.22Å; M178-L184 HydrophobicContact CB-CG 4.36Å; M178-L184 HydrophobicContact CG-CG 4.18Å; M178-L185 HydrophobicContact CG-CB 4.41Å; M178-L185 WeakPolarHBondContact O-CB 3.19Å; M178-S188 PolarHBondContact SD-OG 3.02Å |
| 179 | L | 73.3 | Confident | 79 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -78.7 | -29.1 | -179.7 | -68.7 | 164.8 | 0 | 0 | 0 | 113.2 | I155 R156 F159 I169 L175 G176 L185 | I155-L179 HydrophobicContact CG2-CD2 4.34Å; R156-L179 PolarHBondContact NE-O 2.95Å; F159-L179 HydrophobicContact CD1-CD1 3.47Å; F159-L179 VanDerWaalsContact CD1-CD1 3.47Å; F159-L179 HydrophobicContact CD1-CD2 3.39Å; F159-L179 HydrophobicContact CD1-CG 4.08Å; F159-L179 HydrophobicContact CE1-CD1 3.89Å; F159-L179 HydrophobicContact CE1-CD2 3.4Å; F159-L179 HydrophobicContact CE1-CG 4.22Å; F159-L179 HydrophobicContact CG-CD1 4.43Å; F159-L179 HydrophobicContact CG-CD2 3.95Å; F159-L179 HydrophobicContact CZ-CD2 4Å; I169-L179 HydrophobicContact CD1-CD1 3.48Å; I169-L179 VanDerWaalsContact CD1-CD1 3.48Å; I169-L179 HydrophobicContact CG1-CD1 3.57Å; L175-L179 WeakPolarHBondContact O-CB 3.17Å; L175-L179 WeakPolarHBondContact O-CD1 3.32Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.38Å; G176-L179 PolarHBondContact O-N 3.33Å; L179-L185 HydrophobicContact CD2-CD1 3.61Å |
| 180 | N | 81.2 | Confident | 78.9 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 62% | 0.62 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75.7 | -27.2 | 173.5 | -76.8 | -60.2 | 0 | 0 | 0 | 112.1 | R156 G176 H177 P182 | R156-N180 PolarHBondContact NH2-O 3.33Å; G176-N180 WeakPolarHBondContact O-CB 3.4Å; G176-N180 PolarHBondContact O-N 2.88Å; G176-N180 PolarHBondContact O-ND2 3.3Å; H177-N180 PolarHBondContact O-N 3.45Å; N180-P182 WeakPolarHBondContact O-CD 3.27Å |
| 181 | N | 84.2 | Confident | 78.9 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | trans | -102.6 | 102.4 | 177.5 | -73.1 | -29.2 | 0 | 0 | 0 | 111.9 | H177 D183 L184 L185 | H177-N181 VanDerWaalsContact O-CB 3.29Å; H177-N181 WeakPolarHBondContact O-CB 3.45Å; H177-N181 PolarHBondContact O-N 3.3Å; H177-N181 PolarHBondContact O-ND2 3.18Å; N181-D183 PolarHBondContact O-N 3.29Å; N181-L184 HydrophobicContact CB-CB 3.63Å; N181-L184 PolarHBondContact O-N 3.48Å; N181-L185 PolarHBondContact O-N 3.5Å | ||
| 182 | P | 76.1 | Confident | 78.5 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 25% | 0.253 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | -178.9 | 28.2 | -33.8 | 0 | 0 | 0 | 112 | P152 N180 R186 | P152-P182 HydrophobicContact CB-CB 4.19Å; P152-P182 HydrophobicContact CG-CB 4.45Å; N180-P182 WeakPolarHBondContact O-CD 3.27Å; P182-R186 WeakPolarHBondContact O-CB 3.23Å; P182-R186 VanDerWaalsContact O-CG 3.24Å; P182-R186 WeakPolarHBondContact O-CG 3.43Å; P182-R186 PolarHBondContact O-N 2.91Å |
| 183 | D | 84.7 | Confident | 78.4 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.2 | -35.7 | 175.2 | -61.1 | -71.1 | 0 | 0 | 0 | 112.6 | N181 Q187 | N181-D183 PolarHBondContact O-N 3.29Å; D183-Q187 VanDerWaalsContact O-CB 3.28Å; D183-Q187 WeakPolarHBondContact O-CB 3.44Å; D183-Q187 PolarHBondContact O-N 3.43Å |
| 184 | L | 81.5 | Confident | 78.1 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.9 | -40.1 | 176.3 | -176.4 | 56.2 | 0 | 0 | 0 | 110.8 | M178 N181 R186 Q187 S188 | M178-L184 HydrophobicContact CB-CD2 4.22Å; M178-L184 HydrophobicContact CB-CG 4.36Å; M178-L184 HydrophobicContact CG-CG 4.18Å; N181-L184 HydrophobicContact CB-CB 3.63Å; N181-L184 PolarHBondContact O-N 3.48Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-Q187 PolarHBondContact O-N 3.16Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.48Å; L184-S188 PolarHBondContact O-OG 3.12Å |
| 185 | L | 77.5 | Confident | 77.7 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 173.1 | -170.2 | 129.3 | 0 | 0 | 0 | 111.9 | I155 M178 L179 N181 S188 M189 | I155-L185 HydrophobicContact CD1-CD2 4.11Å; I155-L185 HydrophobicContact CG2-CD1 4.15Å; M178-L185 HydrophobicContact CG-CB 4.41Å; M178-L185 WeakPolarHBondContact O-CB 3.19Å; L179-L185 HydrophobicContact CD2-CD1 3.61Å; N181-L185 PolarHBondContact O-N 3.5Å; L185-S188 WeakPolarHBondContact CA-OG 3.48Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.07Å; L185-M189 HydrophobicContact CD1-CE 4.47Å; L185-M189 HydrophobicContact CD2-CE 3.8Å; L185-M189 HydrophobicContact CD2-CG 4.38Å; L185-M189 HydrophobicContact CD2-SD 3.7Å; L185-M189 HydrophobicContact CG-CE 4.16Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 HydrophobicContact CG-SD 4.35Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 VanDerWaalsContact O-CG 3.25Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.28Å |
| 186 | R | 80.5 | Confident | 78.2 | Confident | 147 Ų | 147 | 68.6 Ų | 68.6 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 173.2 | -80.3 | 178.7 | 128.3 | 144.8 | 4.3 | 111.5 | P182 L184 M189 E190 | P182-R186 WeakPolarHBondContact O-CB 3.23Å; P182-R186 VanDerWaalsContact O-CG 3.24Å; P182-R186 WeakPolarHBondContact O-CG 3.43Å; P182-R186 PolarHBondContact O-N 2.91Å; L184-R186 VanDerWaalsContact C-N 3.34Å; R186-M189 PolarHBondContact O-N 3.27Å; R186-E190 WeakPolarHBondContact O-CA 3.22Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 2.85Å |
| 187 | Q | 80.9 | Confident | 78 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.6 | -171.7 | 179.8 | 155 | 0 | 0 | 111.9 | D183 L184 E190 I191 | D183-Q187 VanDerWaalsContact O-CB 3.28Å; D183-Q187 WeakPolarHBondContact O-CB 3.44Å; D183-Q187 PolarHBondContact O-N 3.43Å; L184-Q187 PolarHBondContact O-N 3.16Å; Q187-E190 PolarHBondContact O-N 2.81Å; Q187-I191 HydrophobicContact CG-CD1 4.15Å; Q187-I191 WeakPolarHBondContact O-CD1 3.4Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3.03Å |
| 188 | S | 77 | Confident | 77.4 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 178.3 | 69 | 0 | 0 | 0 | 0 | 111.6 | M178 L184 L185 E190 I191 A192 | M178-S188 PolarHBondContact SD-OG 3.02Å; L184-S188 WeakPolarHBondContact O-CB 3.46Å; L184-S188 PolarHBondContact O-N 3.48Å; L184-S188 PolarHBondContact O-OG 3.12Å; L185-S188 WeakPolarHBondContact CA-OG 3.48Å; L185-S188 PolarHBondContact O-OG 2.88Å; L185-S188 VanDerWaalsContact O-OG 3.07Å; S188-E190 VanDerWaalsContact C-N 3.33Å; S188-I191 PolarHBondContact O-N 2.88Å; S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.5Å; S188-A192 PolarHBondContact O-N 3.25Å |
| 189 | M | 72.9 | Confident | 77.6 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 20% | 0.197 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.6 | -29.6 | 171.8 | -74.4 | -170.4 | 175.5 | 0 | 0 | 112.4 | M149 I155 L185 R186 A192 R193 | M149-M189 HydrophobicContact CB-SD 3.87Å; M149-M189 HydrophobicContact CE-CE 3.73Å; M149-M189 HydrophobicContact CE-CG 4.41Å; M149-M189 HydrophobicContact CE-SD 3.77Å; M149-M189 HydrophobicContact CG-CE 3.99Å; M149-M189 HydrophobicContact CG-SD 3.47Å; M149-M189 WeakPolarHBondContact CG-SD 3.16Å; M149-M189 HydrophobicContact SD-CE 4.42Å; M149-M189 HydrophobicContact SD-SD 3.73Å; I155-M189 HydrophobicContact CD1-CE 3.79Å; I155-M189 HydrophobicContact CD1-SD 4.34Å; L185-M189 HydrophobicContact CD1-CE 4.47Å; L185-M189 HydrophobicContact CD2-CE 3.8Å; L185-M189 HydrophobicContact CD2-CG 4.38Å; L185-M189 HydrophobicContact CD2-SD 3.7Å; L185-M189 HydrophobicContact CG-CE 4.16Å; L185-M189 HydrophobicContact CG-CG 4.5Å; L185-M189 HydrophobicContact CG-SD 4.35Å; L185-M189 WeakPolarHBondContact O-CB 3.32Å; L185-M189 VanDerWaalsContact O-CG 3.25Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.28Å; R186-M189 PolarHBondContact O-N 3.27Å; M189-A192 PolarHBondContact O-N 3Å; M189-R193 WeakPolarHBondContact O-CA 3.29Å; M189-R193 WeakPolarHBondContact O-CB 3.35Å; M189-R193 PolarHBondContact O-N 2.81Å |
| 190 | E | 78.1 | Confident | 77.9 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.9 | -41.1 | 174.5 | -173.5 | 170.4 | 106 | 0 | 0 | 111 | R186 Q187 S188 A192 R193 N194 M197 | R186-E190 WeakPolarHBondContact O-CA 3.22Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 2.85Å; Q187-E190 PolarHBondContact O-N 2.81Å; S188-E190 VanDerWaalsContact C-N 3.33Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-N194 WeakPolarHBondContact O-CA 3.25Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 3.27Å; E190-M197 HydrophobicContact CG-SD 4.44Å |
| 191 | I | 80.4 | Confident | 77.8 | Confident | 35 Ų | 35 | 77.2 Ų | 77.2 | 18% | 0.179 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 170.3 | -66.4 | 160.3 | 0 | 0 | 0 | 110.4 | Q187 S188 N194 M197 M198 M201 | Q187-I191 HydrophobicContact CG-CD1 4.15Å; Q187-I191 WeakPolarHBondContact O-CD1 3.4Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3.03Å; S188-I191 PolarHBondContact O-N 2.88Å; I191-N194 CarbonylContact O-C 3.44Å; I191-M197 HydrophobicContact CB-SD 4.16Å; I191-M197 HydrophobicContact CD1-CE 4.13Å; I191-M197 HydrophobicContact CG1-CE 3.41Å; I191-M197 VanDerWaalsContact CG1-CE 3.41Å; I191-M197 HydrophobicContact CG1-CG 4.01Å; I191-M197 HydrophobicContact CG1-SD 3.42Å; I191-M197 WeakPolarHBondContact CG1-SD 3.04Å; I191-M198 HydrophobicContact CG2-CB 4.25Å; I191-M201 HydrophobicContact CG2-SD 4.26Å |
| 192 | A | 73.8 | Confident | 77.3 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.4 | -36.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S188 M189 E190 | S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.5Å; S188-A192 PolarHBondContact O-N 3.25Å; M189-A192 PolarHBondContact O-N 3Å; E190-A192 VanDerWaalsContact C-N 3.33Å |
| 193 | R | 70.1 | Confident | 77.4 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.7 | -25.8 | 178.3 | -166.1 | 176.9 | 78.4 | 171 | 3.2 | 111.7 | Q146 M189 E190 P195 | Q146-R193 VanDerWaalsContact CD-NH1 3.28Å; Q146-R193 VanDerWaalsContact NE2-NH1 3.13Å; M189-R193 WeakPolarHBondContact O-CA 3.29Å; M189-R193 WeakPolarHBondContact O-CB 3.35Å; M189-R193 PolarHBondContact O-N 2.81Å; E190-R193 PolarHBondContact O-N 2.78Å; R193-P195 WeakPolarHBondContact O-CD 3.47Å |
| 194 | N | 76.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 82 Ų | 82 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | trans | -100.1 | 89.7 | 177 | -165.7 | -0.1 | 0 | 0 | 0 | 110 | E190 I191 A196 M197 M198 | E190-N194 WeakPolarHBondContact O-CA 3.25Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 3.27Å; I191-N194 CarbonylContact O-C 3.44Å; N194-A196 PolarHBondContact O-N 3.4Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 3.12Å; N194-M197 HydrophobicContact CB-CB 3.71Å; N194-M197 WeakPolarHBondContact O-CA 3.3Å; N194-M197 WeakPolarHBondContact O-CB 3.39Å; N194-M197 PolarHBondContact O-N 3.19Å; N194-M198 PolarHBondContact O-N 3.03Å | ||
| 195 | P | 73.7 | Confident | 77.1 | Confident | 36 Ų | 36 | 85.1 Ų | 85.1 | 23% | 0.234 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.5 | -29.5 | 178.2 | 28.7 | -40.9 | 0 | 0 | 0 | 112.2 | R193 Q199 | R193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-Q199 VanDerWaalsContact O-CB 3.27Å; P195-Q199 WeakPolarHBondContact O-CB 3.14Å; P195-Q199 WeakPolarHBondContact O-CG 3.33Å; P195-Q199 PolarHBondContact O-N 2.94Å |
| 196 | A | 83.1 | Confident | 76.8 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 45% | 0.446 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N194 Q199 E200 | N194-A196 PolarHBondContact O-N 3.4Å; N194-A196 VanDerWaalsContact O-N 3.09Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 3.12Å; A196-Q199 PolarHBondContact O-N 2.68Å; A196-E200 WeakPolarHBondContact O-CB 3.15Å; A196-E200 PolarHBondContact O-N 2.98Å |
| 197 | M | 76 | Confident | 76.5 | Confident | 61 Ų | 61 | 92.1 Ų | 92.1 | 30% | 0.3 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.3 | -39.2 | 174.9 | -170.2 | 179.2 | -175.6 | 0 | 0 | 111.9 | E190 I191 N194 E200 M201 | E190-M197 HydrophobicContact CG-SD 4.44Å; I191-M197 HydrophobicContact CB-SD 4.16Å; I191-M197 HydrophobicContact CD1-CE 4.13Å; I191-M197 HydrophobicContact CG1-CE 3.41Å; I191-M197 VanDerWaalsContact CG1-CE 3.41Å; I191-M197 HydrophobicContact CG1-CG 4.01Å; I191-M197 HydrophobicContact CG1-SD 3.42Å; I191-M197 WeakPolarHBondContact CG1-SD 3.04Å; N194-M197 HydrophobicContact CB-CB 3.71Å; N194-M197 WeakPolarHBondContact O-CA 3.3Å; N194-M197 WeakPolarHBondContact O-CB 3.39Å; N194-M197 PolarHBondContact O-N 3.19Å; M197-E200 PolarHBondContact O-N 2.81Å; M197-M201 VanDerWaalsContact O-CB 3.26Å; M197-M201 WeakPolarHBondContact O-CB 3.4Å; M197-M201 PolarHBondContact O-N 2.85Å |
| 198 | M | 69.1 | Low | 76.3 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 171.2 | -174.2 | -178.4 | 169.1 | 0 | 0 | 111 | I191 N194 E200 M201 V202 | I191-M198 HydrophobicContact CG2-CB 4.25Å; N194-M198 PolarHBondContact O-N 3.03Å; M198-E200 VanDerWaalsContact C-N 3.34Å; M198-M201 PolarHBondContact O-N 3.32Å; M198-V202 HydrophobicContact CG-CG2 4.42Å; M198-V202 VanDerWaalsContact O-CB 3.32Å; M198-V202 WeakPolarHBondContact O-CB 3.33Å; M198-V202 WeakPolarHBondContact O-CG2 3.16Å; M198-V202 PolarHBondContact O-N 2.94Å |
| 199 | Q | 78.1 | Confident | 75.7 | Confident | 98 Ų | 98 | 89.5 Ų | 89.5 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 173.3 | -74.2 | 166.7 | 16.3 | 0 | 0 | 111.8 | P195 A196 R203 | P195-Q199 VanDerWaalsContact O-CB 3.27Å; P195-Q199 WeakPolarHBondContact O-CB 3.14Å; P195-Q199 WeakPolarHBondContact O-CG 3.33Å; P195-Q199 PolarHBondContact O-N 2.94Å; A196-Q199 PolarHBondContact O-N 2.68Å; Q199-R203 WeakPolarHBondContact O-CB 3.13Å; Q199-R203 WeakPolarHBondContact O-CD 3.32Å; Q199-R203 WeakPolarHBondContact O-CG 3.2Å; Q199-R203 PolarHBondContact O-N 3.44Å |
| 200 | E | 80.1 | Confident | 75.3 | Confident | 113 Ų | 113 | 91.2 Ų | 91.2 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.5 | -37.4 | 174.7 | -162 | 63.3 | -151.4 | 0 | 0 | 111.1 | A196 M197 M198 R203 N204 | A196-E200 WeakPolarHBondContact O-CB 3.15Å; A196-E200 PolarHBondContact O-N 2.98Å; M197-E200 PolarHBondContact O-N 2.81Å; M198-E200 VanDerWaalsContact C-N 3.34Å; E200-R203 PolarHBondContact O-N 3.4Å; E200-N204 WeakPolarHBondContact O-CA 3.49Å; E200-N204 WeakPolarHBondContact O-CB 3.17Å; E200-N204 PolarHBondContact O-N 3.15Å |
| 201 | M | 79.7 | Confident | 74.7 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 48% | 0.478 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 173 | 179 | -179 | 150.5 | 0 | 0 | 110.2 | I191 M197 M198 R203 N204 Y205 | I191-M201 HydrophobicContact CG2-SD 4.26Å; M197-M201 VanDerWaalsContact O-CB 3.26Å; M197-M201 WeakPolarHBondContact O-CB 3.4Å; M197-M201 PolarHBondContact O-N 2.85Å; M198-M201 PolarHBondContact O-N 3.32Å; M201-R203 VanDerWaalsContact C-N 3.32Å; M201-R203 PolarHBondContact O-N 3Å; M201-N204 PolarHBondContact O-N 2.89Å; M201-Y205 WeakPolarHBondContact O-CB 3.31Å; M201-Y205 PolarHBondContact O-N 3.37Å |
| 202 | V | 73.8 | Confident | 73.7 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | M198 Y205 D206 | M198-V202 HydrophobicContact CG-CG2 4.42Å; M198-V202 VanDerWaalsContact O-CB 3.32Å; M198-V202 WeakPolarHBondContact O-CB 3.33Å; M198-V202 WeakPolarHBondContact O-CG2 3.16Å; M198-V202 PolarHBondContact O-N 2.94Å; V202-Y205 PolarHBondContact O-N 3.37Å; V202-D206 WeakPolarHBondContact O-CB 3.5Å; V202-D206 PolarHBondContact O-N 2.95Å |
| 203 | R | 78.6 | Confident | 73.1 | Confident | 148 Ų | 148 | 96.2 Ų | 96.2 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.2 | -38.9 | 175.6 | -76.7 | 168.5 | 179.6 | 173.3 | 0.4 | 112.4 | Q199 E200 M201 R207 | Q199-R203 WeakPolarHBondContact O-CB 3.13Å; Q199-R203 WeakPolarHBondContact O-CD 3.32Å; Q199-R203 WeakPolarHBondContact O-CG 3.2Å; Q199-R203 PolarHBondContact O-N 3.44Å; E200-R203 PolarHBondContact O-N 3.4Å; M201-R203 VanDerWaalsContact C-N 3.32Å; M201-R203 PolarHBondContact O-N 3Å; R203-R207 WeakPolarHBondContact O-CB 2.91Å; R203-R207 PolarHBondContact O-N 2.84Å |
| 204 | N | 83.5 | Confident | 73.1 | Confident | 109 Ų | 109 | 93.8 Ų | 93.8 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.8 | -36.9 | 177.7 | -170.8 | 31.1 | 0 | 0 | 0 | 110.9 | E200 M201 A208 | E200-N204 WeakPolarHBondContact O-CA 3.49Å; E200-N204 WeakPolarHBondContact O-CB 3.17Å; E200-N204 PolarHBondContact O-N 3.15Å; M201-N204 PolarHBondContact O-N 2.89Å; N204-A208 WeakPolarHBondContact O-CB 3.12Å; N204-A208 PolarHBondContact O-N 3.07Å |
| 205 | Y | 76 | Confident | 72.5 | Confident | 127 Ų | 127 | 93.8 Ų | 93.8 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 175.1 | -146.1 | -88.9 | 0 | 0 | 0 | 110.9 | M201 V202 A208 I209 | M201-Y205 WeakPolarHBondContact O-CB 3.31Å; M201-Y205 PolarHBondContact O-N 3.37Å; V202-Y205 PolarHBondContact O-N 3.37Å; Y205-A208 CarbonylContact O-C 3.57Å; Y205-A208 PolarHBondContact O-N 3.04Å; Y205-I209 HydrophobicContact CD1-CD1 3.56Å; Y205-I209 HydrophobicContact CD1-CG1 3.94Å; Y205-I209 HydrophobicContact CE1-CD1 3.78Å; Y205-I209 HydrophobicContact CE1-CG1 4.17Å; Y205-I209 VanDerWaalsContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CB 3.21Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.46Å |
| 206 | D | 71.2 | Confident | 71.2 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 173.3 | -174.8 | 65.4 | 0 | 0 | 0 | 111.1 | V202 A208 I209 S210 | V202-D206 WeakPolarHBondContact O-CB 3.5Å; V202-D206 PolarHBondContact O-N 2.95Å; D206-A208 VanDerWaalsContact C-N 3.35Å; D206-A208 PolarHBondContact O-N 2.82Å; D206-I209 PolarHBondContact O-N 2.77Å; D206-S210 VanDerWaalsContact O-CB 3.26Å; D206-S210 WeakPolarHBondContact O-CB 3.4Å; D206-S210 PolarHBondContact O-N 2.77Å |
| 207 | R | 74.4 | Confident | 70.4 | Confident | 195 Ų | 195 | 98.1 Ų | 98.1 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 173.1 | -156.5 | 179.3 | -130.5 | 179.6 | 4.4 | 111.7 | R203 N211 | R203-R207 WeakPolarHBondContact O-CB 2.91Å; R203-R207 PolarHBondContact O-N 2.84Å; R207-N211 VanDerWaalsContact O-CB 3.31Å; R207-N211 WeakPolarHBondContact O-CB 3.31Å; R207-N211 PolarHBondContact O-N 3.14Å |
| 208 | A | 75.7 | Confident | 69.9 | Low | 44 Ų | 44 | 95.3 Ų | 95.3 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -34.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N204 Y205 D206 N211 L212 | N204-A208 WeakPolarHBondContact O-CB 3.12Å; N204-A208 PolarHBondContact O-N 3.07Å; Y205-A208 CarbonylContact O-C 3.57Å; Y205-A208 PolarHBondContact O-N 3.04Å; D206-A208 VanDerWaalsContact C-N 3.35Å; D206-A208 PolarHBondContact O-N 2.82Å; A208-N211 CarbonylContact O-C 3.57Å; A208-N211 PolarHBondContact O-N 3.5Å; A208-L212 VanDerWaalsContact O-CB 3.27Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.38Å; A208-L212 WeakPolarHBondContact O-CG 3.33Å; A208-L212 PolarHBondContact O-N 2.91Å |
| 209 | I | 64.4 | Low | 69.6 | Low | 41 Ų | 41 | 95.7 Ų | 95.7 | 21% | 0.21 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 173.3 | -80 | -179.8 | 0 | 0 | 0 | 109.9 | Y205 D206 N211 L212 E213 L222 | Y205-I209 HydrophobicContact CD1-CD1 3.56Å; Y205-I209 HydrophobicContact CD1-CG1 3.94Å; Y205-I209 HydrophobicContact CE1-CD1 3.78Å; Y205-I209 HydrophobicContact CE1-CG1 4.17Å; Y205-I209 VanDerWaalsContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CB 3.21Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.46Å; D206-I209 PolarHBondContact O-N 2.77Å; I209-N211 VanDerWaalsContact C-N 3.26Å; I209-N211 PolarHBondContact O-N 3.35Å; I209-L212 CarbonylContact O-C 3.6Å; I209-L212 WeakPolarHBondContact O-CA 3.42Å; I209-L212 WeakPolarHBondContact O-CB 3.21Å; I209-L212 PolarHBondContact O-N 2.88Å; I209-E213 WeakPolarHBondContact O-CB 3.49Å; I209-E213 PolarHBondContact O-N 3.08Å; I209-L222 HydrophobicContact CD1-CD2 4.19Å; I209-L222 HydrophobicContact CG1-CD2 4.27Å; I209-L222 HydrophobicContact CG2-CD2 3.94Å |
| 210 | S | 65.7 | Low | 69.3 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 174 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | D206 E213 S214 | D206-S210 VanDerWaalsContact O-CB 3.26Å; D206-S210 WeakPolarHBondContact O-CB 3.4Å; D206-S210 PolarHBondContact O-N 2.77Å; S210-E213 PolarHBondContact O-N 2.93Å; S210-S214 PolarHBondContact O-N 2.85Å |
| 211 | N | 64.5 | Low | 68.8 | Low | 114 Ų | 114 | 94 Ų | 94 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.3 | -34.5 | 173.3 | -143.5 | 14.6 | 0 | 0 | 0 | 111.9 | R207 A208 I209 S214 V215 | R207-N211 VanDerWaalsContact O-CB 3.31Å; R207-N211 WeakPolarHBondContact O-CB 3.31Å; R207-N211 PolarHBondContact O-N 3.14Å; A208-N211 CarbonylContact O-C 3.57Å; A208-N211 PolarHBondContact O-N 3.5Å; I209-N211 VanDerWaalsContact C-N 3.26Å; I209-N211 PolarHBondContact O-N 3.35Å; N211-S214 PolarHBondContact O-N 3.39Å; N211-S214 PolarHBondContact O-OG 3.47Å; N211-V215 WeakPolarHBondContact O-CG2 3.5Å |
| 212 | L | 59.8 | Low | 68.3 | Low | 60 Ų | 60 | 90.2 Ų | 90.2 | 31% | 0.314 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.9 | -29.1 | 173.8 | -91.6 | 154.8 | 0 | 0 | 0 | 112.8 | A208 I209 S214 V215 G218 | A208-L212 VanDerWaalsContact O-CB 3.27Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.38Å; A208-L212 WeakPolarHBondContact O-CG 3.33Å; A208-L212 PolarHBondContact O-N 2.91Å; I209-L212 CarbonylContact O-C 3.6Å; I209-L212 WeakPolarHBondContact O-CA 3.42Å; I209-L212 WeakPolarHBondContact O-CB 3.21Å; I209-L212 PolarHBondContact O-N 2.88Å; L212-S214 PolarHBondContact O-N 3.38Å; L212-V215 WeakPolarHBondContact O-CB 3.32Å; L212-V215 PolarHBondContact O-N 3.1Å; L212-G218 WeakPolarHBondContact O-CA 3.44Å |
| 213 | E | 62.2 | Low | 68.2 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 65% | 0.654 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -29 | 173.3 | -158.6 | -179.9 | 126.7 | 0 | 0 | 110.7 | I209 S210 V215 | I209-E213 WeakPolarHBondContact O-CB 3.49Å; I209-E213 PolarHBondContact O-N 3.08Å; S210-E213 PolarHBondContact O-N 2.93Å; E213-V215 VanDerWaalsContact C-N 3.33Å |
| 214 | S | 70 | Confident | 67.8 | Low | 87 Ų | 87 | 91.6 Ų | 91.6 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6 | 171.8 | 80.7 | 0 | 0 | 0 | 0 | 114.4 | S210 N211 L212 | S210-S214 PolarHBondContact O-N 2.85Å; N211-S214 PolarHBondContact O-N 3.39Å; N211-S214 PolarHBondContact O-OG 3.47Å; L212-S214 PolarHBondContact O-N 3.38Å |
| 215 | V | 64.1 | Low | 66.9 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -92.5 | 127.8 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | N211 L212 E213 G217 G218 | N211-V215 WeakPolarHBondContact O-CG2 3.5Å; L212-V215 WeakPolarHBondContact O-CB 3.32Å; L212-V215 PolarHBondContact O-N 3.1Å; E213-V215 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.14Å; V215-G218 PolarHBondContact O-N 2.73Å |
| 216 | P | 45.9 | Very low | 66.1 | Low | 133 Ų | 133 | 88.1 Ų | 88.1 | 86% | 0.864 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 111.9 | 170.5 | -21 | 30.8 | 0 | 0 | 0 | 110.5 | ||
| 217 | G | 65.1 | Low | 65.8 | Low | 48 Ų | 48 | 90.7 Ų | 90.7 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | -7.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | V215 M219 N220 H221 | V215-G217 PolarHBondContact O-N 3.14Å; G217-M219 VanDerWaalsContact C-N 3.28Å; G217-M219 PolarHBondContact O-N 3.1Å; G217-N220 WeakPolarHBondContact O-CB 3.42Å; G217-N220 PolarHBondContact O-N 2.91Å; G217-N220 VanDerWaalsContact O-N 3.07Å; G217-H221 PolarHBondContact O-N 3.33Å |
| 218 | G | 65.4 | Low | 65.4 | Low | 2 Ų | 2 | 87 Ų | 87 | 2% | 0.021 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.3 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L212 V215 N220 H221 L222 | L212-G218 WeakPolarHBondContact O-CA 3.44Å; V215-G218 PolarHBondContact O-N 2.73Å; G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 3.23Å; G218-H221 WeakPolarHBondContact O-CA 3.18Å; G218-H221 WeakPolarHBondContact O-CB 3.17Å; G218-H221 PolarHBondContact O-N 2.93Å; G218-L222 PolarHBondContact O-N 3.45Å |
| 219 | M | 63.4 | Low | 64.6 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.9 | -32.9 | 172.9 | -159.2 | 77.5 | -137.6 | 0 | 0 | 112.6 | G217 Q223 | G217-M219 VanDerWaalsContact C-N 3.28Å; G217-M219 PolarHBondContact O-N 3.1Å; M219-Q223 WeakPolarHBondContact O-CB 3.26Å; M219-Q223 WeakPolarHBondContact O-CG 3.28Å; M219-Q223 PolarHBondContact O-N 3.35Å |
| 220 | N | 71.9 | Confident | 64.2 | Low | 89 Ų | 89 | 92.2 Ų | 92.2 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 173.9 | -90.6 | -91.8 | 0 | 0 | 0 | 111.5 | G217 G218 R224 | G217-N220 WeakPolarHBondContact O-CB 3.42Å; G217-N220 PolarHBondContact O-N 2.91Å; G217-N220 VanDerWaalsContact O-N 3.07Å; G218-N220 VanDerWaalsContact C-N 3.27Å; G218-N220 PolarHBondContact O-N 3.23Å; N220-R224 VanDerWaalsContact O-CG 3.3Å; N220-R224 WeakPolarHBondContact O-CG 3.24Å; N220-R224 PolarHBondContact O-N 2.89Å |
| 221 | H | 69 | Low | 63.8 | Low | 85 Ų | 85 | 93.8 Ų | 93.8 | 39% | 0.394 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.2 | -42.3 | 175.2 | -170.8 | 56.5 | 0 | 0 | 0 | 111.3 | G217 G218 R224 I225 | G217-H221 PolarHBondContact O-N 3.33Å; G218-H221 WeakPolarHBondContact O-CA 3.18Å; G218-H221 WeakPolarHBondContact O-CB 3.17Å; G218-H221 PolarHBondContact O-N 2.93Å; H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.15Å; H221-I225 VanDerWaalsContact O-CG1 3.3Å; H221-I225 WeakPolarHBondContact O-CG1 3.47Å; H221-I225 PolarHBondContact O-N 2.87Å |
| 222 | L | 69.4 | Low | 63.6 | Low | 18 Ų | 18 | 91.6 Ų | 91.6 | 9% | 0.094 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 172 | -70.3 | 173 | 0 | 0 | 0 | 111.6 | I209 G218 R224 I225 F226 | I209-L222 HydrophobicContact CD1-CD2 4.19Å; I209-L222 HydrophobicContact CG1-CD2 4.27Å; I209-L222 HydrophobicContact CG2-CD2 3.94Å; G218-L222 PolarHBondContact O-N 3.45Å; L222-R224 VanDerWaalsContact C-N 3.26Å; L222-R224 PolarHBondContact O-N 3.46Å; L222-I225 PolarHBondContact O-N 3.15Å; L222-F226 WeakPolarHBondContact O-CB 3.39Å; L222-F226 WeakPolarHBondContact O-CD2 3.04Å; L222-F226 PolarHBondContact O-N 3.09Å |
| 223 | Q | 71.5 | Confident | 63.6 | Low | 108 Ų | 108 | 94.1 Ų | 94.1 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 174 | -75.3 | 167.8 | 13.7 | 0 | 0 | 112.3 | M219 R227 | M219-Q223 WeakPolarHBondContact O-CB 3.26Å; M219-Q223 WeakPolarHBondContact O-CG 3.28Å; M219-Q223 PolarHBondContact O-N 3.35Å; Q223-R227 WeakPolarHBondContact O-CB 3.13Å; Q223-R227 PolarHBondContact O-N 3.3Å |
| 224 | R | 70.5 | Confident | 63.6 | Low | 153 Ų | 153 | 93.3 Ų | 93.3 | 58% | 0.577 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.2 | -39.8 | 173.5 | -73 | 171.4 | -168.3 | 175.9 | 2.9 | 112.4 | N220 H221 L222 R227 D228 | N220-R224 VanDerWaalsContact O-CG 3.3Å; N220-R224 WeakPolarHBondContact O-CG 3.24Å; N220-R224 PolarHBondContact O-N 2.89Å; H221-R224 PolarHBondContact O-N 3.48Å; H221-R224 VanDerWaalsContact O-N 3.15Å; L222-R224 VanDerWaalsContact C-N 3.26Å; L222-R224 PolarHBondContact O-N 3.46Å; R224-R227 PolarHBondContact O-N 2.88Å; R224-D228 WeakPolarHBondContact O-CB 3.04Å; R224-D228 PolarHBondContact O-N 2.86Å |
| 225 | I | 65.3 | Low | 63.4 | Low | 38 Ų | 38 | 94.4 Ų | 94.4 | 20% | 0.195 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.8 | -68.5 | 166.1 | 0 | 0 | 0 | 110.3 | H221 L222 R227 I229 | H221-I225 VanDerWaalsContact O-CG1 3.3Å; H221-I225 WeakPolarHBondContact O-CG1 3.47Å; H221-I225 PolarHBondContact O-N 2.87Å; L222-I225 PolarHBondContact O-N 3.15Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 3.33Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.48Å; I225-I229 VanDerWaalsContact O-CB 3.22Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.02Å; I225-I229 PolarHBondContact O-N 3.22Å |
| 226 | F | 58.9 | Low | 63.3 | Low | 125 Ų | 125 | 93 Ų | 93 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -62.8 | -39.7 | 173.8 | -86.7 | -68.7 | 0 | 0 | 0 | 111.4 | L222 Q230 | L222-F226 WeakPolarHBondContact O-CB 3.39Å; L222-F226 WeakPolarHBondContact O-CD2 3.04Å; L222-F226 PolarHBondContact O-N 3.09Å; F226-Q230 WeakPolarHBondContact O-CA 3.46Å; F226-Q230 WeakPolarHBondContact O-CB 3.47Å; F226-Q230 PolarHBondContact O-N 3Å |
| 227 | R | 65.4 | Low | 64 | Low | 161 Ų | 161 | 89.4 Ų | 89.4 | 61% | 0.608 | 46% | 0.458 | S | S | * | . | I | π-helix | trans | -72.4 | -45.8 | 179 | -162.5 | 170.2 | -171.2 | 167.4 | -3.1 | 113.1 | Q223 R224 I225 E231 | Q223-R227 WeakPolarHBondContact O-CB 3.13Å; Q223-R227 PolarHBondContact O-N 3.3Å; R224-R227 PolarHBondContact O-N 2.88Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 3.33Å; R227-E231 HydrophobicContact CG-CG 4.14Å; R227-E231 WeakPolarHBondContact CG-OE1 3.4Å; R227-E231 WeakPolarHBondContact CG-OE2 3.41Å; R227-E231 IonicContact NE-OE1 3.52Å; R227-E231 IonicContact NE-OE2 3.59Å; R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 VanDerWaalsContact O-CG 3.23Å; R227-E231 WeakPolarHBondContact O-CG 3.47Å; R227-E231 PolarHBondContact O-N 3.46Å |
| 228 | D | 64.8 | Low | 63.9 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 63% | 0.631 | 46% | 0.455 | S | S | * | . | I | π-helix | trans | -79.2 | -20.9 | -176.2 | -72 | -41.4 | 0 | 0 | 0 | 113.5 | R224 P232 | R224-D228 WeakPolarHBondContact O-CB 3.04Å; R224-D228 PolarHBondContact O-N 2.86Å; D228-P232 WeakPolarHBondContact O-CD 3.1Å; D228-P232 WeakPolarHBondContact O-CG 3.22Å |
| 229 | I | 59.4 | Low | 63.8 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | I | π-helix | trans | -109.5 | -40.7 | -179.2 | -54.4 | -177.4 | 0 | 0 | 0 | 112.2 | I225 I233 | I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 HydrophobicContact CG2-CG1 4.48Å; I225-I229 VanDerWaalsContact O-CB 3.22Å; I225-I229 WeakPolarHBondContact O-CB 3.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.02Å; I225-I229 PolarHBondContact O-N 3.22Å; I229-I233 HydrophobicContact CG2-CD1 4.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å |
| 230 | Q | 56.5 | Low | 63.4 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | I | π-helix | trans | -81.7 | -35.9 | -178.5 | -160.5 | -177.5 | -29.9 | 0 | 0 | 112.1 | F226 I233 M234 | F226-Q230 WeakPolarHBondContact O-CA 3.46Å; F226-Q230 WeakPolarHBondContact O-CB 3.47Å; F226-Q230 PolarHBondContact O-N 3Å; Q230-I233 PolarHBondContact O-N 3.21Å; Q230-M234 WeakPolarHBondContact O-CB 3.25Å; Q230-M234 PolarHBondContact O-N 2.88Å |
| 231 | E | 57.9 | Low | 62.8 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.1 | -64.8 | -176.7 | 159.2 | 0 | 0 | 112.1 | R227 I233 M234 D235 | R227-E231 HydrophobicContact CG-CG 4.14Å; R227-E231 WeakPolarHBondContact CG-OE1 3.4Å; R227-E231 WeakPolarHBondContact CG-OE2 3.41Å; R227-E231 IonicContact NE-OE1 3.52Å; R227-E231 IonicContact NE-OE2 3.59Å; R227-E231 WeakPolarHBondContact O-CB 3.25Å; R227-E231 VanDerWaalsContact O-CG 3.23Å; R227-E231 WeakPolarHBondContact O-CG 3.47Å; R227-E231 PolarHBondContact O-N 3.46Å; E231-I233 PolarHBondContact O-N 3.08Å; E231-M234 PolarHBondContact O-N 2.78Å; E231-D235 WeakPolarHBondContact O-CB 3.32Å; E231-D235 PolarHBondContact O-N 3.38Å |
| 232 | P | 58.8 | Low | 62.2 | Low | 67 Ų | 67 | 89.3 Ų | 89.3 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71 | -27 | 179 | 23.9 | -32 | 0 | 0 | 0 | 113.8 | D228 A236 | D228-P232 WeakPolarHBondContact O-CD 3.1Å; D228-P232 WeakPolarHBondContact O-CG 3.22Å; P232-A236 WeakPolarHBondContact O-CA 3.42Å; P232-A236 WeakPolarHBondContact O-CB 3.11Å; P232-A236 PolarHBondContact O-N 2.89Å |
| 233 | I | 59.5 | Low | 61.5 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.9 | -35.3 | 173.7 | -70.2 | 173.4 | 0 | 0 | 0 | 110.8 | I229 Q230 E231 A237 | I229-I233 HydrophobicContact CG2-CD1 4.26Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å; Q230-I233 PolarHBondContact O-N 3.21Å; E231-I233 PolarHBondContact O-N 3.08Å; I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.46Å |
| 234 | M | 62.8 | Low | 60.3 | Low | 122 Ų | 122 | 94.2 Ų | 94.2 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.3 | -29.2 | 179.1 | -158 | 141.4 | 162.2 | 0 | 0 | 111.9 | Q230 E231 S238 | Q230-M234 WeakPolarHBondContact O-CB 3.25Å; Q230-M234 PolarHBondContact O-N 2.88Å; E231-M234 PolarHBondContact O-N 2.78Å; M234-S238 WeakPolarHBondContact O-CB 3.5Å; M234-S238 PolarHBondContact O-N 3.5Å; M234-S238 PolarHBondContact O-OG 3.04Å |
| 235 | D | 66.6 | Low | 59 | Low | 111 Ų | 111 | 91.5 Ų | 91.5 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.5 | -37.2 | 169.5 | -155.7 | -89.7 | 0 | 0 | 0 | 110.8 | E231 S238 S239 | E231-D235 WeakPolarHBondContact O-CB 3.32Å; E231-D235 PolarHBondContact O-N 3.38Å; D235-S238 WeakPolarHBondContact CA-OG 3.45Å; D235-S238 PolarHBondContact O-OG 2.83Å; D235-S239 WeakPolarHBondContact O-CA 3.21Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 2.78Å; D235-S239 PolarHBondContact O-OG 3.09Å |
| 236 | A | 60.9 | Low | 57.5 | Low | 44 Ų | 44 | 92.3 Ų | 92.3 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P232 S239 I240 | P232-A236 WeakPolarHBondContact O-CA 3.42Å; P232-A236 WeakPolarHBondContact O-CB 3.11Å; P232-A236 PolarHBondContact O-N 2.89Å; A236-S239 WeakPolarHBondContact CA-OG 3.42Å; A236-S239 PolarHBondContact O-OG 3.48Å; A236-I240 WeakPolarHBondContact O-CB 3.35Å; A236-I240 VanDerWaalsContact O-CD1 3.31Å; A236-I240 WeakPolarHBondContact O-CD1 3.13Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.4Å |
| 237 | A | 60.3 | Low | 56.5 | Low | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.4 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 G241 | I233-A237 WeakPolarHBondContact O-CB 3.27Å; I233-A237 PolarHBondContact O-N 3.46Å; A237-G241 PolarHBondContact O-N 2.9Å |
| 238 | S | 63.5 | Low | 55 | Low | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.1 | -33.9 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | M234 D235 G241 S242 | M234-S238 WeakPolarHBondContact O-CB 3.5Å; M234-S238 PolarHBondContact O-N 3.5Å; M234-S238 PolarHBondContact O-OG 3.04Å; D235-S238 WeakPolarHBondContact CA-OG 3.45Å; D235-S238 PolarHBondContact O-OG 2.83Å; S238-G241 CarbonylContact O-C 3.55Å; S238-G241 PolarHBondContact O-N 3.2Å; S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.23Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.31Å |
| 239 | S | 63.1 | Low | 53.5 | Low | 47 Ų | 47 | 92.9 Ų | 92.9 | 33% | 0.329 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.5 | -31.9 | 171.1 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | D235 A236 S242 S243 | D235-S239 WeakPolarHBondContact O-CA 3.21Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 2.78Å; D235-S239 PolarHBondContact O-OG 3.09Å; A236-S239 WeakPolarHBondContact CA-OG 3.42Å; A236-S239 PolarHBondContact O-OG 3.48Å; S239-S242 WeakPolarHBondContact CA-OG 3.08Å; S239-S243 WeakPolarHBondContact O-CA 3.18Å; S239-S243 WeakPolarHBondContact O-CB 3.38Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.86Å |
| 240 | I | 56.1 | Low | 52.3 | Low | 105 Ų | 105 | 96.3 Ų | 96.3 | 54% | 0.538 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -39.8 | 168.2 | -74.6 | 165.5 | 0 | 0 | 0 | 110.5 | A236 S243 L244 | A236-I240 WeakPolarHBondContact O-CB 3.35Å; A236-I240 VanDerWaalsContact O-CD1 3.31Å; A236-I240 WeakPolarHBondContact O-CD1 3.13Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.4Å; I240-S243 WeakPolarHBondContact CA-OG 3.3Å; I240-S243 PolarHBondContact O-OG 3.35Å; I240-L244 HydrophobicContact CG2-CD1 4.45Å; I240-L244 WeakPolarHBondContact O-CB 3.24Å; I240-L244 PolarHBondContact O-N 2.79Å |
| 241 | G | 58.5 | Low | 51.2 | Low | 48 Ų | 48 | 95 Ų | 95 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.3 | -31.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A237 S238 S245 | A237-G241 PolarHBondContact O-N 2.9Å; S238-G241 CarbonylContact O-C 3.55Å; S238-G241 PolarHBondContact O-N 3.2Å; G241-S245 WeakPolarHBondContact O-CB 3.27Å; G241-S245 PolarHBondContact O-N 3.3Å |
| 242 | S | 57.5 | Low | 50 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -96.3 | -13.6 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | S238 S239 S245 G246 | S238-S242 VanDerWaalsContact O-CB 3.25Å; S238-S242 WeakPolarHBondContact O-CB 3.23Å; S238-S242 PolarHBondContact O-N 2.8Å; S238-S242 PolarHBondContact O-OG 3.31Å; S239-S242 WeakPolarHBondContact CA-OG 3.08Å; S242-S245 CarbonylContact O-C 3.54Å; S242-G246 PolarHBondContact O-N 3.23Å; S242-G246 VanDerWaalsContact O-N 3.14Å |
| 243 | S | 53.9 | Low | 48.9 | Very low | 81 Ų | 81 | 98.2 Ų | 98.2 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -89.8 | -25.7 | 167.4 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | S239 I240 G246 | S239-S243 WeakPolarHBondContact O-CA 3.18Å; S239-S243 WeakPolarHBondContact O-CB 3.38Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.86Å; I240-S243 WeakPolarHBondContact CA-OG 3.3Å; I240-S243 PolarHBondContact O-OG 3.35Å; S243-G246 PolarHBondContact O-N 3.33Å |
| 244 | L | 45.9 | Very low | 47.9 | Very low | 147 Ų | 147 | 101.1 Ų | 101.1 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -16 | 162 | -99.5 | 72.4 | 0 | 0 | 0 | 112.7 | I240 | I240-L244 HydrophobicContact CG2-CD1 4.45Å; I240-L244 WeakPolarHBondContact O-CB 3.24Å; I240-L244 PolarHBondContact O-N 2.79Å |
| 245 | S | 43.1 | Very low | 46.8 | Very low | 97 Ų | 97 | 103.8 Ų | 103.8 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 33.2 | 170.6 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | G241 S242 | G241-S245 WeakPolarHBondContact O-CB 3.27Å; G241-S245 PolarHBondContact O-N 3.3Å; S242-S245 CarbonylContact O-C 3.54Å |
| 246 | G | 34.5 | Very low | 45.6 | Very low | 55 Ų | 55 | 105.1 Ų | 105.1 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | trans | -102.3 | 52.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S242 S243 Q248 | S242-G246 PolarHBondContact O-N 3.23Å; S242-G246 VanDerWaalsContact O-N 3.14Å; S243-G246 PolarHBondContact O-N 3.33Å; G246-Q248 PolarHBondContact O-N 2.87Å | ||
| 247 | N | 37.1 | Very low | 45.3 | Very low | 139 Ų | 139 | 108.8 Ų | 108.8 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -84.3 | 102.1 | 168.8 | -161.2 | 64 | 0 | 0 | 0 | 109.9 | S249 | N247-S249 PolarHBondContact ND2-OG 3.04Å; N247-S249 PolarHBondContact O-N 3.35Å | ||
| 248 | Q | 33.3 | Very low | 44.4 | Very low | 192 Ų | 192 | 113.6 Ų | 113.6 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | -51.7 | 100.6 | 162.5 | 178.3 | -176.3 | 53.5 | 0 | 0 | 111.7 | G246 | G246-Q248 PolarHBondContact O-N 2.87Š| ||
| 249 | S | 34.9 | Very low | 43.9 | Very low | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | -171.7 | 95.4 | 160.5 | 53.1 | 0 | 0 | 0 | 0 | 108.2 | N247 | N247-S249 PolarHBondContact ND2-OG 3.04Å; N247-S249 PolarHBondContact O-N 3.35Å | ||
| 250 | N | 33.8 | Very low | 43.4 | Very low | 172 Ų | 172 | 119.2 Ų | 119.2 | 92% | 0.92 | 70% | 0.701 | S | S | * | * | 47.1 | 97.7 | 80 | -150.7 | 46.5 | 0 | 0 | 0 | 113.7 | |||||
| 251 | G | 32.4 | Very low | 43.2 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | 88.6 | 132.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 252 | N | 33.3 | Very low | 42.8 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | 80.5 | 88.9 | 165 | -67.4 | -5.6 | 0 | 0 | 0 | 118.7 | ||||
| 253 | S | 34.8 | Very low | 41.7 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | 11.4 | 134.4 | 119.8 | 54.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 254 | E | 38.9 | Very low | 41.1 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 90.5 | 129.5 | 156.8 | -61.3 | 171 | 98.5 | 0 | 0 | 117.2 | ||||
| 255 | Q | 40.3 | Very low | 40.8 | Very low | 179 Ų | 179 | 120.9 Ų | 120.9 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | 80.7 | 75.4 | 165.3 | -63 | 169.2 | -18.1 | 0 | 0 | 117.9 | ||||
| 256 | N | 40.8 | Very low | 40.9 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -116.6 | 105.3 | 148.2 | -87.6 | -47 | 0 | 0 | 0 | 110.2 | F258 A259 | N256-F258 PolarHBondContact O-N 2.81Å; N256-F258 VanDerWaalsContact O-N 3.15Å; N256-A259 WeakPolarHBondContact O-CB 3.4Å; N256-A259 PolarHBondContact O-N 2.72Å | ||
| 257 | P | 54.9 | Low | 41.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -4.3 | -176.5 | 30 | -34.4 | 0 | 0 | 0 | 113.7 | ||
| 258 | F | 42.4 | Very low | 41.2 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -17.3 | 174.6 | -161.1 | -102.6 | 0 | 0 | 0 | 112.9 | N256 N260 L261 | N256-F258 PolarHBondContact O-N 2.81Å; N256-F258 VanDerWaalsContact O-N 3.15Å; F258-N260 PolarHBondContact O-N 3.16Å; F258-L261 PolarHBondContact O-N 2.89Å |
| 259 | A | 51.5 | Low | 41.7 | Very low | 71 Ų | 71 | 126 Ų | 126 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -15.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N256 | N256-A259 WeakPolarHBondContact O-CB 3.4Å; N256-A259 PolarHBondContact O-N 2.72Å |
| 260 | N | 53.1 | Low | 42.2 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -5.3 | 179.8 | -136.3 | 11.5 | 0 | 0 | 0 | 113.6 | F258 | F258-N260 PolarHBondContact O-N 3.16Š|
| 261 | L | 51.7 | Low | 42.6 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -24.5 | 177.7 | -170.4 | 61.1 | 0 | 0 | 0 | 112.6 | F258 | F258-L261 PolarHBondContact O-N 2.89Š|
| 262 | A | 50.3 | Low | 43.5 | Very low | 71 Ų | 71 | 127 Ų | 127 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.5 | 7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G264 | A262-G264 PolarHBondContact O-N 2.93Š|
| 263 | G | 34.5 | Very low | 44.5 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 75.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 264 | G | 40.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -146.4 | 14 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A262 R266 | A262-G264 PolarHBondContact O-N 2.93Å; G264-R266 PolarHBondContact O-N 3.37Å | ||
| 265 | V | 40.4 | Very low | 47.6 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 90.8 | 179.5 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | Q267 | V265-Q267 PolarHBondContact O-N 2.99Š| ||
| 266 | R | 44.2 | Very low | 49 | Very low | 242 Ų | 242 | 127 Ų | 127 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -83 | 90.7 | 153 | -83 | -167.3 | 175.4 | -164.1 | 0.3 | 108.9 | G264 | G264-R266 PolarHBondContact O-N 3.37Š| ||
| 267 | Q | 42.3 | Very low | 50.5 | Low | 179 Ų | 179 | 124.9 Ų | 124.9 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | 28.1 | 103.9 | 123.6 | -160.1 | 158 | -5.9 | 0 | 0 | 117.6 | V265 | V265-Q267 PolarHBondContact O-N 2.99Š| |||
| 268 | G | 36.3 | Very low | 51.2 | Low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | 52.5 | 92.2 | 136.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 269 | A | 42.8 | Very low | 52.4 | Low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -160.5 | 145.2 | 147 | 0 | 0 | 0 | 0 | 0 | 109.3 | A271 | A269-A271 PolarHBondContact O-N 2.79Š| ||
| 270 | P | 46.3 | Very low | 53.2 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | trans | -62 | 123.6 | 175.3 | 26.3 | -32.4 | 0 | 0 | 0 | 109.6 | T272 | P270-T272 PolarHBondContact O-N 3.01Å; P270-T272 PolarHBondContact O-OG1 3.29Å | ||
| 271 | A | 41.7 | Very low | 53.5 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -58 | 106.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A269 E273 | A269-A271 PolarHBondContact O-N 2.79Å; A271-E273 VanDerWaalsContact C-N 3.27Å | ||
| 272 | T | 51.1 | Low | 53.8 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -95.6 | 19.1 | -179.9 | -47.1 | 0 | 0 | 0 | 0 | 110.6 | P270 | P270-T272 PolarHBondContact O-N 3.01Å; P270-T272 PolarHBondContact O-OG1 3.29Å | ||
| 273 | E | 56 | Low | 54 | Low | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -115.5 | 121.2 | 178.5 | -73.1 | -175.7 | 125.6 | 0 | 0 | 109.9 | A271 M275 | A271-E273 VanDerWaalsContact C-N 3.27Å; E273-M275 PolarHBondContact O-N 3.38Å |
| 274 | P | 63.9 | Low | 54.5 | Low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.4 | 175.5 | 26.9 | -31.8 | 0 | 0 | 0 | 109.3 | ||
| 275 | M | 73.4 | Confident | 54.7 | Low | 176 Ų | 176 | 134.4 Ų | 134.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 141.8 | 172.3 | -66.9 | -177.9 | -70.6 | 0 | 0 | 110.2 | E273 N277 | E273-M275 PolarHBondContact O-N 3.38Å; M275-N277 PolarHBondContact O-N 3.35Å |
| 276 | P | 71.3 | Confident | 54.6 | Low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.4 | -176.4 | 23.5 | -32.5 | 0 | 0 | 0 | 111.3 | P278 | P276-P278 WeakPolarHBondContact O-CD 3.31Š|
| 277 | N | 72.3 | Confident | 54.2 | Low | 93 Ų | 93 | 126.8 Ų | 126.8 | 50% | 0.497 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 117.3 | -177.5 | -179.9 | 13.2 | 0 | 0 | 0 | 111.2 | M275 W279 A280 | M275-N277 PolarHBondContact O-N 3.35Å; N277-W279 PolarHBondContact O-N 3.4Å; N277-W279 VanDerWaalsContact O-N 3.16Å; N277-W279 WeakPolarHBondContact OD1-CB 3.09Å; N277-W279 PolarHBondContact OD1-N 3.01Å; N277-A280 PolarHBondContact O-N 3.45Å |
| 278 | P | 68.3 | Low | 53.7 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -6.4 | 178.4 | 30.6 | -36 | 0 | 0 | 0 | 113.6 | P276 | P276-P278 WeakPolarHBondContact O-CD 3.31Š|
| 279 | W | 68.6 | Low | 53.7 | Low | 222 Ų | 222 | 128.1 Ų | 128.1 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 6.3 | 177.5 | -57.6 | -54.5 | 0 | 0 | 0 | 114.2 | N277 | N277-W279 PolarHBondContact O-N 3.4Å; N277-W279 VanDerWaalsContact O-N 3.16Å; N277-W279 WeakPolarHBondContact OD1-CB 3.09Å; N277-W279 PolarHBondContact OD1-N 3.01Å |
| 280 | A | 68.7 | Low | 53.3 | Low | 61 Ų | 61 | 130.3 Ų | 130.3 | 50% | 0.504 | 77% | 0.771 | S | S | . | * | S | Bend | trans | -76.9 | 133.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | N277 A282 | N277-A280 PolarHBondContact O-N 3.45Å; A280-A282 PolarHBondContact O-N 2.9Å |
| 281 | P | 59.2 | Low | 52.9 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -61.7 | 127.3 | -179.4 | 23.9 | -32.3 | 0 | 0 | 0 | 110.9 | T283 | P281-T283 PolarHBondContact O-N 3.48Å; P281-T283 VanDerWaalsContact O-N 3.14Å | ||
| 282 | A | 57.4 | Low | 52.4 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 107.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A280 N284 | A280-A282 PolarHBondContact O-N 2.9Å; A282-N284 PolarHBondContact O-N 2.97Å | ||
| 283 | T | 53.5 | Low | 51.6 | Low | 139 Ų | 139 | 131.5 Ų | 131.5 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -70 | 95.9 | 171.1 | -46 | 0 | 0 | 0 | 0 | 109.2 | P281 N285 | P281-T283 PolarHBondContact O-N 3.48Å; P281-T283 VanDerWaalsContact O-N 3.14Å; T283-N285 PolarHBondContact O-N 2.7Å | ||
| 284 | N | 45.6 | Very low | 50.7 | Low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -73.1 | 107.4 | 173.9 | -107.3 | -18 | 0 | 0 | 0 | 110 | A282 | A282-N284 PolarHBondContact O-N 2.97Š| ||
| 285 | N | 46 | Very low | 49.4 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -87.6 | 107.9 | 165.7 | -161.2 | 35.4 | 0 | 0 | 0 | 108.6 | T283 | T283-N285 PolarHBondContact O-N 2.7Š| ||
| 286 | A | 36.9 | Very low | 47.7 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 130.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 287 | T | 35.8 | Very low | 46 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -136.5 | 108.3 | 152.9 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 288 | T | 32.6 | Very low | 44.3 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -48.2 | 132.2 | 174.3 | -50.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 289 | N | 37 | Very low | 43 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -158.5 | 130.1 | 133 | -100.7 | -26.6 | 0 | 0 | 0 | 111.7 | ||||
| 290 | N | 34.5 | Very low | 41.7 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -115.1 | 132.6 | -164.8 | 170.5 | 36.7 | 0 | 0 | 0 | 109.3 | ||||
| 291 | S | 36.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -165.4 | 94 | 151.6 | 53 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 292 | T | 31 | Very low | 39.5 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 39.3 | 118.8 | 130.1 | 38 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 293 | T | 34.4 | Very low | 39.2 | Very low | 149 Ų | 149 | 128 Ų | 128 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | -169.9 | 154.9 | 124.2 | 18.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 294 | T | 38.2 | Very low | 39.2 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 153.3 | -153.5 | 43.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 295 | A | 35.9 | Very low | 39.6 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | -129.5 | 146.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 296 | P | 37.9 | Very low | 40 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -111.5 | 161 | 161.4 | 36.5 | -24.6 | 0 | 0 | 0 | 113.5 | ||||
| 297 | S | 35 | Very low | 41 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 49% | 0.49 | 73% | 0.73 | S | S | . | * | trans | -101.9 | 153 | -166 | 54 | 0 | 0 | 0 | 0 | 115.9 | R102 | R102-S297 PolarHBondContact NH2-OG 3.46Š| ||
| 298 | S | 38 | Very low | 42.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | -169.7 | 129.1 | 139.6 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 299 | V | 40.3 | Very low | 43.9 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | trans | 50.9 | 119.2 | 131.8 | -172.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 300 | N | 41 | Very low | 45.4 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | -142.1 | 121.6 | 148.8 | -161.5 | 36.5 | 0 | 0 | 0 | 112.1 | ||||
| 301 | S | 42 | Very low | 46.7 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | trans | -100.8 | 142.5 | 170.4 | -58.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 302 | N | 39.8 | Very low | 48.1 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | trans | 37.7 | 94.9 | 143.8 | -131 | 40.4 | 0 | 0 | 0 | 118.1 | ||||
| 303 | R | 51.5 | Low | 50 | Low | 196 Ų | 196 | 120.9 Ų | 120.9 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | trans | -126.8 | 23.1 | -178.9 | -95.7 | -169.3 | -173.5 | 163 | 3.1 | 116 | ||||
| 304 | N | 53.6 | Low | 51.4 | Low | 155 Ų | 155 | 120.2 Ų | 120.2 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -97.9 | 0.6 | -176.2 | -123.4 | -4.9 | 0 | 0 | 0 | 115.2 | ||
| 305 | S | 54 | Low | 52.5 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -95.1 | -14.4 | -176.8 | 48.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 306 | D | 54 | Low | 54.1 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -86.7 | -21.1 | -171.3 | -77.4 | -82.1 | 0 | 0 | 0 | 114.8 | T310 | D306-T310 PolarHBondContact O-N 3.15Å; D306-T310 PolarHBondContact O-OG1 3.06Å |
| 307 | F | 58.7 | Low | 55.6 | Low | 159 Ų | 159 | 117 Ų | 117 | 70% | 0.697 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.3 | -35.3 | -179.5 | -174.8 | -107.5 | 0 | 0 | 0 | 112.6 | M311 | F307-M311 PolarHBondContact O-N 3.28Å |
| 308 | V | 64.2 | Low | 56.9 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.2 | -35.4 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | M311 L312 | V308-M311 PolarHBondContact O-N 3.46Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.12Å |
| 309 | Q | 63.5 | Low | 58.2 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.4 | -36.5 | 176.3 | -68.6 | -178.1 | 25.6 | 0 | 0 | 111.9 | N313 | Q309-N313 PolarHBondContact O-N 3.22Å |
| 310 | T | 69.7 | Low | 59.9 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 56% | 0.564 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.1 | -37.6 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | D306 Q314 | D306-T310 PolarHBondContact O-N 3.15Å; D306-T310 PolarHBondContact O-OG1 3.06Å; T310-Q314 PolarHBondContact O-N 3.23Å |
| 311 | M | 62.3 | Low | 61.3 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.9 | -32 | 179.2 | -168.6 | 150.5 | 177.3 | 0 | 0 | 113.5 | F307 V308 Q314 L315 | F307-M311 PolarHBondContact O-N 3.28Å; V308-M311 PolarHBondContact O-N 3.46Å; M311-Q314 PolarHBondContact O-N 2.73Å; M311-L315 PolarHBondContact O-N 2.94Å |
| 312 | L | 65.6 | Low | 62.4 | Low | 127 Ų | 127 | 115.5 Ų | 115.5 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -36.7 | 177.4 | -173 | 59.6 | 0 | 0 | 0 | 112.4 | V308 Q314 L315 S316 | V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.12Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.09Å; L312-L315 PolarHBondContact O-N 3.06Å; L312-S316 PolarHBondContact O-N 3.29Å; L312-S316 PolarHBondContact O-OG 3.36Å |
| 313 | N | 71.3 | Confident | 63.8 | Low | 121 Ų | 121 | 111.2 Ų | 111.2 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -29 | 174.9 | -112.3 | -0.6 | 0 | 0 | 0 | 113 | Q309 S316 S317 | Q309-N313 PolarHBondContact O-N 3.22Å; N313-S316 WeakPolarHBondContact CA-OG 3.12Å; N313-S316 PolarHBondContact O-OG 3.39Å; N313-S317 PolarHBondContact O-OG 2.96Å |
| 314 | Q | 62.7 | Low | 64.5 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72 | -33.6 | 175.4 | -164.6 | 115.6 | 47.9 | 0 | 0 | 112.2 | T310 M311 L312 S317 S318 | T310-Q314 PolarHBondContact O-N 3.23Å; M311-Q314 PolarHBondContact O-N 2.73Å; L312-Q314 VanDerWaalsContact C-N 3.31Å; L312-Q314 PolarHBondContact O-N 3.09Å; Q314-S317 WeakPolarHBondContact CA-OG 3.39Å; Q314-S317 PolarHBondContact O-OG 3.45Å; Q314-S317 VanDerWaalsContact O-OG 3.08Å; Q314-S318 PolarHBondContact O-OG 2.93Å |
| 315 | L | 61.9 | Low | 65 | Low | 122 Ų | 122 | 101 Ų | 101 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.3 | -37 | 177.2 | -118.2 | 112.9 | 0 | 0 | 0 | 112.6 | M311 L312 S317 | M311-L315 PolarHBondContact O-N 2.94Å; L312-L315 PolarHBondContact O-N 3.06Å; L315-S317 PolarHBondContact O-N 3.45Å |
| 316 | S | 70.2 | Confident | 65.4 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.7 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | L312 N313 | L312-S316 PolarHBondContact O-N 3.29Å; L312-S316 PolarHBondContact O-OG 3.36Å; N313-S316 WeakPolarHBondContact CA-OG 3.12Å; N313-S316 PolarHBondContact O-OG 3.39Å |
| 317 | S | 68.6 | Low | 66.1 | Low | 78 Ų | 78 | 105.1 Ų | 105.1 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | 0.7 | -173.7 | 43.4 | 0 | 0 | 0 | 0 | 114 | N313 Q314 L315 P319 | N313-S317 PolarHBondContact O-OG 2.96Å; Q314-S317 WeakPolarHBondContact CA-OG 3.39Å; Q314-S317 PolarHBondContact O-OG 3.45Å; Q314-S317 VanDerWaalsContact O-OG 3.08Å; L315-S317 PolarHBondContact O-N 3.45Å; S317-P319 VanDerWaalsContact C-CD 3.44Å; S317-P319 VanDerWaalsContact O-CD 3.25Å; S317-P319 WeakPolarHBondContact O-CD 3.39Å |
| 318 | S | 62.3 | Low | 66.7 | Low | 36 Ų | 36 | 100.5 Ų | 100.5 | 25% | 0.252 | 56% | 0.555 | S | S | . | * | trans | -121.5 | 70.2 | -174.7 | -57 | 0 | 0 | 0 | 0 | 112.9 | Q314 E320 L321 | Q314-S318 PolarHBondContact O-OG 2.93Å; S318-E320 PolarHBondContact O-N 2.79Å; S318-L321 WeakPolarHBondContact O-CB 3.09Å; S318-L321 PolarHBondContact O-N 2.99Å; S318-L321 VanDerWaalsContact O-N 3.1Å | ||
| 319 | P | 65.3 | Low | 67 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.2 | -22.4 | 177.7 | 24.9 | -33.1 | 0 | 0 | 0 | 113.5 | S317 L321 V322 S323 | S317-P319 VanDerWaalsContact C-CD 3.44Å; S317-P319 VanDerWaalsContact O-CD 3.25Å; S317-P319 WeakPolarHBondContact O-CD 3.39Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 2.94Å; P319-V322 PolarHBondContact O-N 2.79Å; P319-S323 PolarHBondContact O-N 3.48Å; P319-S323 VanDerWaalsContact O-N 3.14Å |
| 320 | E | 76.2 | Confident | 67.5 | Low | 146 Ų | 146 | 100.4 Ų | 100.4 | 68% | 0.682 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.1 | -30.9 | 174.8 | -64.7 | -83.6 | 107 | 0 | 0 | 112.5 | S318 N324 | S318-E320 PolarHBondContact O-N 2.79Å; E320-N324 PolarHBondContact O-N 3.09Å; E320-N324 VanDerWaalsContact O-N 3.07Å; E320-N324 PolarHBondContact O-ND2 3.37Å |
| 321 | L | 71 | Confident | 67.7 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.7 | -34 | 176.2 | -71.7 | 173.7 | 0 | 0 | 0 | 111.3 | S318 P319 A325 | S318-L321 WeakPolarHBondContact O-CB 3.09Å; S318-L321 PolarHBondContact O-N 2.99Å; S318-L321 VanDerWaalsContact O-N 3.1Å; P319-L321 VanDerWaalsContact C-N 3.31Å; P319-L321 PolarHBondContact O-N 2.94Å; L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.18Å; L321-A325 PolarHBondContact O-N 3.39Å |
| 322 | V | 65 | Low | 68.3 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 53% | 0.527 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | P319 A325 F326 | P319-V322 PolarHBondContact O-N 2.79Å; V322-A325 WeakPolarHBondContact O-CB 3.06Å; V322-A325 PolarHBondContact O-N 2.88Å; V322-F326 HydrophobicContact CG1-CD2 4.48Å; V322-F326 PolarHBondContact O-N 3.46Å |
| 323 | S | 68 | Low | 68.9 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178 | -156.3 | 0 | 0 | 0 | 0 | 112.2 | P319 | P319-S323 PolarHBondContact O-N 3.48Å; P319-S323 VanDerWaalsContact O-N 3.14Å |
| 324 | N | 65.6 | Low | 68.9 | Low | 96 Ų | 96 | 92.4 Ų | 92.4 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -35.1 | 171.4 | -83 | -65.5 | 0 | 0 | 0 | 112.1 | E320 F326 Q327 V328 | E320-N324 PolarHBondContact O-N 3.09Å; E320-N324 VanDerWaalsContact O-N 3.07Å; E320-N324 PolarHBondContact O-ND2 3.37Å; N324-F326 VanDerWaalsContact C-N 3.33Å; N324-F326 PolarHBondContact O-N 3.1Å; N324-Q327 PolarHBondContact O-N 2.87Å; N324-V328 VanDerWaalsContact O-CG2 3.28Å; N324-V328 WeakPolarHBondContact O-CG2 3.37Å; N324-V328 PolarHBondContact O-N 3.03Å |
| 325 | A | 65.9 | Low | 69.2 | Low | 40 Ų | 40 | 90 Ų | 90 | 33% | 0.331 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L321 V322 Q327 V328 V331 | L321-A325 VanDerWaalsContact O-CB 3.25Å; L321-A325 WeakPolarHBondContact O-CB 3.18Å; L321-A325 PolarHBondContact O-N 3.39Å; V322-A325 WeakPolarHBondContact O-CB 3.06Å; V322-A325 PolarHBondContact O-N 2.88Å; A325-Q327 VanDerWaalsContact C-N 3.26Å; A325-Q327 PolarHBondContact O-N 2.79Å; A325-V328 WeakPolarHBondContact O-CB 3.48Å; A325-V328 WeakPolarHBondContact O-CG2 3.32Å; A325-V328 PolarHBondContact O-N 2.74Å; A325-V331 WeakPolarHBondContact O-CB 3.15Å; A325-V331 WeakPolarHBondContact O-CG2 3.18Å |
| 326 | F | 61.9 | Low | 70 | Confident | 113 Ų | 113 | 90.8 Ų | 90.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -19.6 | 176.9 | -105.2 | -87.6 | 0 | 0 | 0 | 114.7 | V322 N324 L335 | V322-F326 HydrophobicContact CG1-CD2 4.48Å; V322-F326 PolarHBondContact O-N 3.46Å; N324-F326 VanDerWaalsContact C-N 3.33Å; N324-F326 PolarHBondContact O-N 3.1Å; F326-L335 HydrophobicContact CE1-CD2 4.31Å |
| 327 | Q | 67.5 | Low | 70 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.4 | 175.6 | -74.4 | 174.1 | 10.8 | 0 | 0 | 112.9 | N324 A325 | N324-Q327 PolarHBondContact O-N 2.87Å; A325-Q327 VanDerWaalsContact C-N 3.26Å; A325-Q327 PolarHBondContact O-N 2.79Å |
| 328 | V | 71.4 | Confident | 70 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 38% | 0.376 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -73.3 | 130.3 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | N324 A325 Y330 V331 Q332 | N324-V328 VanDerWaalsContact O-CG2 3.28Å; N324-V328 WeakPolarHBondContact O-CG2 3.37Å; N324-V328 PolarHBondContact O-N 3.03Å; A325-V328 WeakPolarHBondContact O-CB 3.48Å; A325-V328 WeakPolarHBondContact O-CG2 3.32Å; A325-V328 PolarHBondContact O-N 2.74Å; V328-Y330 PolarHBondContact O-N 3.15Å; V328-V331 HydrophobicContact CB-CG2 4.32Å; V328-V331 PolarHBondContact O-N 3.03Å; V328-Q332 PolarHBondContact O-N 3.45Å; V328-Q332 VanDerWaalsContact O-N 3.15Å |
| 329 | P | 71.8 | Confident | 70.8 | Confident | 100 Ų | 100 | 90.4 Ų | 90.4 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.9 | -24.8 | 177.4 | 19.9 | -31.8 | 0 | 0 | 0 | 113.1 | A333 | P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.1Å |
| 330 | Y | 74.1 | Confident | 71.5 | Confident | 130 Ų | 130 | 89 Ų | 89 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 172.4 | -174.6 | -97.8 | 0 | 0 | 0 | 113.4 | L144 V328 A333 M334 | L144-Y330 HydrophobicContact CD1-CE1 4.24Å; L144-Y330 HydrophobicContact CD1-CE2 4.37Å; L144-Y330 WeakPolarHBondContact CD1-OH 3.47Å; V328-Y330 PolarHBondContact O-N 3.15Å; Y330-A333 PolarHBondContact O-N 3.4Å; Y330-M334 WeakPolarHBondContact O-CB 3.36Å; Y330-M334 PolarHBondContact O-N 2.87Å |
| 331 | V | 74 | Confident | 71.5 | Confident | 42 Ų | 42 | 85.9 Ų | 85.9 | 26% | 0.255 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.8 | -31.8 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | A325 V328 M334 L335 | A325-V331 WeakPolarHBondContact O-CB 3.15Å; A325-V331 WeakPolarHBondContact O-CG2 3.18Å; V328-V331 HydrophobicContact CB-CG2 4.32Å; V328-V331 PolarHBondContact O-N 3.03Å; V331-M334 PolarHBondContact O-N 3.14Å; V331-L335 VanDerWaalsContact O-CB 3.31Å; V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 3.4Å |
| 332 | Q | 74.4 | Confident | 71.5 | Confident | 116 Ų | 116 | 84.8 Ų | 84.8 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -47 | 167.5 | -76 | -178.4 | -3.3 | 0 | 0 | 111.5 | V328 M334 L335 E336 | V328-Q332 PolarHBondContact O-N 3.45Å; V328-Q332 VanDerWaalsContact O-N 3.15Å; Q332-M334 VanDerWaalsContact C-N 3.29Å; Q332-M334 PolarHBondContact O-N 3.3Å; Q332-L335 PolarHBondContact O-N 2.78Å; Q332-E336 VanDerWaalsContact O-CB 3.22Å; Q332-E336 WeakPolarHBondContact O-CB 3.28Å; Q332-E336 PolarHBondContact O-N 2.87Å |
| 333 | A | 77.1 | Confident | 72.4 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P329 Y330 A337 | P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.1Å; Y330-A333 PolarHBondContact O-N 3.4Å; A333-A337 WeakPolarHBondContact O-CB 3.33Å; A333-A337 PolarHBondContact O-N 3.46Å |
| 334 | M | 73 | Confident | 72.8 | Confident | 72 Ų | 72 | 83.8 Ų | 83.8 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.9 | -41.3 | 176.2 | -174.5 | 161 | -179.8 | 0 | 0 | 112.5 | Y330 V331 Q332 E336 A337 M338 L348 | Y330-M334 WeakPolarHBondContact O-CB 3.36Å; Y330-M334 PolarHBondContact O-N 2.87Å; V331-M334 PolarHBondContact O-N 3.14Å; Q332-M334 VanDerWaalsContact C-N 3.29Å; Q332-M334 PolarHBondContact O-N 3.3Å; M334-E336 VanDerWaalsContact C-N 3.29Å; M334-A337 PolarHBondContact O-N 3.3Å; M334-M338 HydrophobicContact CE-SD 4.4Å; M334-M338 HydrophobicContact CG-SD 4.32Å; M334-M338 VanDerWaalsContact O-CB 3.32Å; M334-M338 WeakPolarHBondContact O-CB 3.29Å; M334-M338 VanDerWaalsContact O-CG 3.24Å; M334-M338 WeakPolarHBondContact O-CG 3.16Å; M334-M338 PolarHBondContact O-N 3.02Å; M334-L348 HydrophobicContact CE-CD1 3.56Å |
| 335 | L | 68.7 | Low | 72.6 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 174 | -175.5 | 64.3 | 0 | 0 | 0 | 111 | F326 V331 Q332 M338 S339 | F326-L335 HydrophobicContact CE1-CD2 4.31Å; V331-L335 VanDerWaalsContact O-CB 3.31Å; V331-L335 WeakPolarHBondContact O-CB 3.31Å; V331-L335 PolarHBondContact O-N 3.4Å; Q332-L335 PolarHBondContact O-N 2.78Å; L335-M338 PolarHBondContact O-N 3.35Å; L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 2.84Å; L335-S339 PolarHBondContact O-OG 3.5Å |
| 336 | E | 78.2 | Confident | 72.8 | Confident | 139 Ų | 139 | 84.3 Ų | 84.3 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70 | -43.3 | 176 | -163.3 | 158.9 | 109 | 0 | 0 | 111 | Q332 M334 M338 S339 A340 | Q332-E336 VanDerWaalsContact O-CB 3.22Å; Q332-E336 WeakPolarHBondContact O-CB 3.28Å; Q332-E336 PolarHBondContact O-N 2.87Å; M334-E336 VanDerWaalsContact C-N 3.29Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 3.47Å; E336-S339 WeakPolarHBondContact CA-OG 3.19Å; E336-S339 PolarHBondContact O-N 3.24Å; E336-S339 PolarHBondContact O-OG 3.05Å; E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 2.83Å |
| 337 | A | 70.8 | Confident | 73.2 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A333 M334 N341 | A333-A337 WeakPolarHBondContact O-CB 3.33Å; A333-A337 PolarHBondContact O-N 3.46Å; M334-A337 PolarHBondContact O-N 3.3Å; A337-N341 WeakPolarHBondContact O-CB 3.27Å; A337-N341 PolarHBondContact O-N 2.86Å |
| 338 | M | 68.1 | Low | 73.1 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 31% | 0.305 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 172.5 | -77.4 | 176.3 | 68.7 | 0 | 0 | 111.7 | M334 L335 E336 M345 | M334-M338 HydrophobicContact CE-SD 4.4Å; M334-M338 HydrophobicContact CG-SD 4.32Å; M334-M338 VanDerWaalsContact O-CB 3.32Å; M334-M338 WeakPolarHBondContact O-CB 3.29Å; M334-M338 VanDerWaalsContact O-CG 3.24Å; M334-M338 WeakPolarHBondContact O-CG 3.16Å; M334-M338 PolarHBondContact O-N 3.02Å; L335-M338 PolarHBondContact O-N 3.35Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-M338 PolarHBondContact O-N 3.47Å; M338-M345 HydrophobicContact CE-CE 4.49Å; M338-M345 HydrophobicContact CE-CG 4.26Å; M338-M345 HydrophobicContact CE-SD 3.45Å; M338-M345 WeakPolarHBondContact CE-SD 3.3Å |
| 339 | S | 78.6 | Confident | 72.6 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | 177.2 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | L335 E336 | L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.35Å; L335-S339 PolarHBondContact O-N 2.84Å; L335-S339 PolarHBondContact O-OG 3.5Å; E336-S339 WeakPolarHBondContact CA-OG 3.19Å; E336-S339 PolarHBondContact O-N 3.24Å; E336-S339 PolarHBondContact O-OG 3.05Å |
| 340 | A | 80.9 | Confident | 72.2 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -83.3 | -29.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E336 | E336-A340 WeakPolarHBondContact O-CB 3.48Å; E336-A340 PolarHBondContact O-N 2.83Å |
| 341 | N | 74.7 | Confident | 71.7 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | trans | -131.2 | 96.4 | -176.3 | -66.8 | -63.2 | 0 | 0 | 0 | 111.9 | A337 S343 V344 | A337-N341 WeakPolarHBondContact O-CB 3.27Å; A337-N341 PolarHBondContact O-N 2.86Å; N341-S343 PolarHBondContact O-N 2.85Å; N341-S343 VanDerWaalsContact O-N 3.13Å; N341-V344 HydrophobicContact CB-CB 4.14Å; N341-V344 HydrophobicContact CB-CG2 3.56Å; N341-V344 WeakPolarHBondContact O-CB 3.42Å; N341-V344 PolarHBondContact O-N 2.74Å | ||
| 342 | P | 72.6 | Confident | 71.1 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.9 | -25.6 | 171.4 | 24.8 | -34 | 0 | 0 | 0 | 112.2 | V344 M345 E346 | P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.49Å; P342-M345 PolarHBondContact O-N 3.32Å; P342-E346 PolarHBondContact O-N 2.91Å |
| 343 | S | 82.4 | Confident | 70.6 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.1 | -26.1 | 176.5 | -31.2 | 0 | 0 | 0 | 0 | 113.8 | N341 N347 | N341-S343 PolarHBondContact O-N 2.85Å; N341-S343 VanDerWaalsContact O-N 3.13Å; S343-N347 WeakPolarHBondContact O-CB 3.15Å; S343-N347 PolarHBondContact O-N 3.5Å; S343-N347 PolarHBondContact O-ND2 2.81Å |
| 344 | V | 76.1 | Confident | 69.9 | Low | 62 Ų | 62 | 83.4 Ų | 83.4 | 38% | 0.376 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.6 | -39.6 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | N341 P342 N347 L348 | N341-V344 HydrophobicContact CB-CB 4.14Å; N341-V344 HydrophobicContact CB-CG2 3.56Å; N341-V344 WeakPolarHBondContact O-CB 3.42Å; N341-V344 PolarHBondContact O-N 2.74Å; P342-V344 VanDerWaalsContact C-N 3.3Å; P342-V344 PolarHBondContact O-N 3.49Å; V344-N347 PolarHBondContact O-N 3.49Å; V344-L348 VanDerWaalsContact O-CB 3.25Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 PolarHBondContact O-N 3.23Å |
| 345 | M | 62.9 | Low | 69.1 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 173.9 | -176.3 | 153.8 | 170.5 | 0 | 0 | 112 | M338 P342 L348 I349 | M338-M345 HydrophobicContact CE-CE 4.49Å; M338-M345 HydrophobicContact CE-CG 4.26Å; M338-M345 HydrophobicContact CE-SD 3.45Å; M338-M345 WeakPolarHBondContact CE-SD 3.3Å; P342-M345 PolarHBondContact O-N 3.32Å; M345-L348 PolarHBondContact O-N 3.45Å; M345-I349 HydrophobicContact CE-CD1 3.85Å; M345-I349 HydrophobicContact CG-CD1 3.61Å; M345-I349 HydrophobicContact CG-CG1 4.29Å; M345-I349 VanDerWaalsContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 3.03Å |
| 346 | E | 70.3 | Confident | 68.7 | Low | 79 Ų | 79 | 81 Ų | 81 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.4 | -162.7 | 91 | -156.9 | 0 | 0 | 111.2 | P342 L348 I349 M350 R367 | P342-E346 PolarHBondContact O-N 2.91Å; E346-L348 PolarHBondContact O-N 2.9Å; E346-I349 PolarHBondContact O-N 2.87Å; E346-M350 HydrophobicContact CG-SD 4.41Å; E346-M350 VanDerWaalsContact O-CB 3.25Å; E346-M350 WeakPolarHBondContact O-CB 3.3Å; E346-M350 WeakPolarHBondContact O-CG 3.43Å; E346-M350 PolarHBondContact O-N 3.4Å; E346-R367 IonicContact OE1-NH1 3.64Å |
| 347 | N | 68.4 | Low | 68.1 | Low | 96 Ų | 96 | 78.6 Ų | 78.6 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 175.1 | -89.9 | -68.7 | 0 | 0 | 0 | 112.2 | S343 V344 M350 N351 | S343-N347 WeakPolarHBondContact O-CB 3.15Å; S343-N347 PolarHBondContact O-N 3.5Å; S343-N347 PolarHBondContact O-ND2 2.81Å; V344-N347 PolarHBondContact O-N 3.49Å; N347-M350 PolarHBondContact O-N 3.4Å; N347-N351 WeakPolarHBondContact O-CB 3.4Å; N347-N351 PolarHBondContact O-N 3.42Å |
| 348 | L | 66.8 | Low | 67.5 | Low | 72 Ų | 72 | 79.4 Ų | 79.4 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 178 | -153.4 | 141.5 | 0 | 0 | 0 | 110.9 | M334 V344 M345 E346 N352 | M334-L348 HydrophobicContact CE-CD1 3.56Å; V344-L348 VanDerWaalsContact O-CB 3.25Å; V344-L348 WeakPolarHBondContact O-CB 3.46Å; V344-L348 PolarHBondContact O-N 3.23Å; M345-L348 PolarHBondContact O-N 3.45Å; E346-L348 PolarHBondContact O-N 2.9Å; L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å |
| 349 | I | 61.2 | Low | 67.3 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 15% | 0.149 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75.4 | -33.2 | 174.7 | -70.8 | 168.1 | 0 | 0 | 0 | 112.1 | M345 E346 I355 R363 L370 | M345-I349 HydrophobicContact CE-CD1 3.85Å; M345-I349 HydrophobicContact CG-CD1 3.61Å; M345-I349 HydrophobicContact CG-CG1 4.29Å; M345-I349 VanDerWaalsContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CB 3.31Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 3.03Å; E346-I349 PolarHBondContact O-N 2.87Å; I349-I355 HydrophobicContact CG1-CD1 4.11Å; I349-I355 HydrophobicContact CG2-CG2 4.02Å; I349-R363 PolarHBondContact O-NH2 2.73Å; I349-L370 HydrophobicContact CD1-CD2 4.29Å |
| 350 | M | 63.1 | Low | 67 | Low | 117 Ų | 117 | 81.1 Ų | 81.1 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -77.5 | -40.1 | 177 | -81.7 | -174.9 | 156.6 | 0 | 0 | 112.7 | E346 N347 | E346-M350 HydrophobicContact CG-SD 4.41Å; E346-M350 VanDerWaalsContact O-CB 3.25Å; E346-M350 WeakPolarHBondContact O-CB 3.3Å; E346-M350 WeakPolarHBondContact O-CG 3.43Å; E346-M350 PolarHBondContact O-N 3.4Å; N347-M350 PolarHBondContact O-N 3.4Å |
| 351 | N | 63.8 | Low | 66.8 | Low | 132 Ų | 132 | 83.8 Ų | 83.8 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -95.1 | -7.2 | -177.5 | -81.2 | -3.6 | 0 | 0 | 0 | 114.8 | N347 P353 | N347-N351 WeakPolarHBondContact O-CB 3.4Å; N347-N351 PolarHBondContact O-N 3.42Å; N351-P353 WeakPolarHBondContact O-CD 3.16Å |
| 352 | N | 60.8 | Low | 66.6 | Low | 52 Ų | 52 | 82.5 Ų | 82.5 | 28% | 0.278 | 47% | 0.47 | S | S | . | . | trans | -79.5 | 113.9 | 178.7 | -168.4 | 8.1 | 0 | 0 | 0 | 110.5 | L348 M354 I355 S356 | L348-N352 WeakPolarHBondContact O-CB 3.4Å; L348-N352 PolarHBondContact O-N 2.81Å; N352-M354 PolarHBondContact O-N 2.86Å; N352-M354 PolarHBondContact OD1-N 2.97Å; N352-I355 HydrophobicContact CB-CB 4.49Å; N352-I355 HydrophobicContact CB-CD1 4.19Å; N352-I355 HydrophobicContact CB-CG1 4.27Å; N352-I355 PolarHBondContact O-N 2.86Å; N352-S356 PolarHBondContact O-N 3.16Å; N352-S356 VanDerWaalsContact O-N 3.1Å | ||
| 353 | P | 64.3 | Low | 66.5 | Low | 96 Ų | 96 | 81.7 Ų | 81.7 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.5 | 178.6 | 24.8 | -34.3 | 0 | 0 | 0 | 113.4 | N351 S356 S357 | N351-P353 WeakPolarHBondContact O-CD 3.16Å; P353-S356 VanDerWaalsContact CA-OG 3.3Å; P353-S356 WeakPolarHBondContact CA-OG 3.07Å; P353-S356 PolarHBondContact O-OG 3.37Å; P353-S357 PolarHBondContact O-OG 3.2Å |
| 354 | M | 61.8 | Low | 66.2 | Low | 144 Ų | 144 | 83.1 Ų | 83.1 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23 | 173.1 | -74.1 | -100 | -99.6 | 0 | 0 | 113.8 | N352 S357 V358 | N352-M354 PolarHBondContact O-N 2.86Å; N352-M354 PolarHBondContact OD1-N 2.97Å; M354-S357 PolarHBondContact O-OG 3.15Å; M354-S357 VanDerWaalsContact O-OG 3.13Å; M354-V358 WeakPolarHBondContact O-CG2 3.24Å |
| 355 | I | 57.4 | Low | 66 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 20% | 0.2 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -22.8 | -179.7 | -57.7 | 173.3 | 0 | 0 | 0 | 110.4 | I349 N352 S357 V358 R363 | I349-I355 HydrophobicContact CG1-CD1 4.11Å; I349-I355 HydrophobicContact CG2-CG2 4.02Å; N352-I355 HydrophobicContact CB-CB 4.49Å; N352-I355 HydrophobicContact CB-CD1 4.19Å; N352-I355 HydrophobicContact CB-CG1 4.27Å; N352-I355 PolarHBondContact O-N 2.86Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 3.26Å; I355-V358 PolarHBondContact O-N 3.27Å; I355-R363 PolarHBondContact O-NE 3.35Å |
| 356 | S | 58.9 | Low | 66.1 | Low | 65 Ų | 65 | 86.7 Ų | 86.7 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.5 | 169 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | N352 P353 R363 | N352-S356 PolarHBondContact O-N 3.16Å; N352-S356 VanDerWaalsContact O-N 3.1Å; P353-S356 VanDerWaalsContact CA-OG 3.3Å; P353-S356 WeakPolarHBondContact CA-OG 3.07Å; P353-S356 PolarHBondContact O-OG 3.37Å; S356-R363 VanDerWaalsContact CA-CZ 3.49Å |
| 357 | S | 65.7 | Low | 66.3 | Low | 89 Ų | 89 | 90.4 Ų | 90.4 | 62% | 0.622 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -6.7 | 171.7 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | P353 M354 I355 | P353-S357 PolarHBondContact O-OG 3.2Å; M354-S357 PolarHBondContact O-OG 3.15Å; M354-S357 VanDerWaalsContact O-OG 3.13Å; I355-S357 VanDerWaalsContact C-N 3.26Å; I355-S357 PolarHBondContact O-N 3.26Å |
| 358 | V | 58.4 | Low | 66.5 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 35% | 0.345 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -80.8 | 135.8 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 109.6 | M354 I355 V362 | M354-V358 WeakPolarHBondContact O-CG2 3.24Å; I355-V358 PolarHBondContact O-N 3.27Å; V358-V362 HydrophobicContact CG1-CB 3.68Å; V358-V362 HydrophobicContact CG1-CG1 3.46Å; V358-V362 VanDerWaalsContact CG1-CG1 3.46Å |
| 359 | N | 64.5 | Low | 66.5 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | trans | -37.9 | 135.9 | -176.4 | -94.8 | 14.6 | 0 | 0 | 0 | 113.2 | N361 V362 R363 | N359-N361 PolarHBondContact O-N 3.47Å; N359-V362 HydrophobicContact CB-CB 4.18Å; N359-V362 HydrophobicContact CB-CG2 3.83Å; N359-V362 WeakPolarHBondContact O-CA 3.24Å; N359-V362 WeakPolarHBondContact O-CB 3.25Å; N359-V362 PolarHBondContact O-N 2.78Å; N359-R363 PolarHBondContact O-N 2.71Å | ||
| 360 | P | 72 | Confident | 66.8 | Low | 88 Ų | 88 | 95.3 Ų | 95.3 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -54.6 | -39.7 | 177.6 | 20.5 | -31.4 | 0 | 0 | 0 | 112.1 | V362 R363 D364 | P360-V362 VanDerWaalsContact C-N 3.3Å; P360-V362 PolarHBondContact O-N 2.75Å; P360-R363 WeakPolarHBondContact O-CB 3.09Å; P360-R363 PolarHBondContact O-N 3.26Å; P360-R363 VanDerWaalsContact O-N 3.13Å; P360-D364 PolarHBondContact O-N 3.42Å |
| 361 | N | 76.3 | Confident | 67.3 | Low | 123 Ų | 123 | 93.4 Ų | 93.4 | 66% | 0.658 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -33.6 | 175.1 | -63.9 | -33.9 | 0 | 0 | 0 | 113.8 | N359 Q365 | N359-N361 PolarHBondContact O-N 3.47Å; N361-Q365 WeakPolarHBondContact O-CB 3.34Å; N361-Q365 PolarHBondContact O-N 2.75Å; N361-Q365 VanDerWaalsContact O-N 3.09Å |
| 362 | V | 71.5 | Confident | 68 | Low | 53 Ų | 53 | 93.9 Ų | 93.9 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -78 | -32.3 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | V358 N359 P360 Q365 M366 | V358-V362 HydrophobicContact CG1-CB 3.68Å; V358-V362 HydrophobicContact CG1-CG1 3.46Å; V358-V362 VanDerWaalsContact CG1-CG1 3.46Å; N359-V362 HydrophobicContact CB-CB 4.18Å; N359-V362 HydrophobicContact CB-CG2 3.83Å; N359-V362 WeakPolarHBondContact O-CA 3.24Å; N359-V362 WeakPolarHBondContact O-CB 3.25Å; N359-V362 PolarHBondContact O-N 2.78Å; P360-V362 VanDerWaalsContact C-N 3.3Å; P360-V362 PolarHBondContact O-N 2.75Å; V362-Q365 PolarHBondContact O-N 3.03Å; V362-M366 WeakPolarHBondContact O-CB 3.5Å; V362-M366 PolarHBondContact O-N 2.96Å |
| 363 | R | 69.5 | Low | 68.3 | Low | 80 Ų | 80 | 94 Ų | 94 | 30% | 0.302 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 173.8 | -124.4 | 177.9 | -179.1 | 170.6 | -1.5 | 112.1 | I349 I355 S356 N359 P360 R367 | I349-R363 PolarHBondContact O-NH2 2.73Å; I355-R363 PolarHBondContact O-NE 3.35Å; S356-R363 VanDerWaalsContact CA-CZ 3.49Å; N359-R363 PolarHBondContact O-N 2.71Å; P360-R363 WeakPolarHBondContact O-CB 3.09Å; P360-R363 PolarHBondContact O-N 3.26Å; P360-R363 VanDerWaalsContact O-N 3.13Å; R363-R367 WeakPolarHBondContact O-CB 3.44Å; R363-R367 PolarHBondContact O-N 2.72Å |
| 364 | D | 75.8 | Confident | 68.5 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 174 | -77.9 | -57.5 | 0 | 0 | 0 | 112.3 | P360 M366 R367 Q368 | P360-D364 PolarHBondContact O-N 3.42Å; D364-M366 VanDerWaalsContact C-N 3.34Å; D364-M366 PolarHBondContact O-N 3.32Å; D364-R367 PolarHBondContact O-N 3.45Å; D364-Q368 WeakPolarHBondContact O-CB 3.42Å; D364-Q368 PolarHBondContact O-N 3.39Å |
| 365 | Q | 72.9 | Confident | 69 | Low | 118 Ų | 118 | 91.2 Ų | 91.2 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 173.5 | -173.8 | 174.7 | 33.6 | 0 | 0 | 112.1 | N361 V362 Q368 M369 | N361-Q365 WeakPolarHBondContact O-CB 3.34Å; N361-Q365 PolarHBondContact O-N 2.75Å; N361-Q365 VanDerWaalsContact O-N 3.09Å; V362-Q365 PolarHBondContact O-N 3.03Å; Q365-Q368 PolarHBondContact O-N 3.2Å; Q365-M369 HydrophobicContact CG-CE 4.45Å; Q365-M369 VanDerWaalsContact O-CB 3.29Å; Q365-M369 WeakPolarHBondContact O-CB 2.97Å; Q365-M369 PolarHBondContact O-N 3.19Å |
| 366 | M | 65 | Low | 69.3 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.7 | -36.9 | 178.8 | -165.6 | 177.4 | -80.6 | 0 | 0 | 111.2 | V362 D364 Q368 M369 L370 | V362-M366 WeakPolarHBondContact O-CB 3.5Å; V362-M366 PolarHBondContact O-N 2.96Å; D364-M366 VanDerWaalsContact C-N 3.34Å; D364-M366 PolarHBondContact O-N 3.32Å; M366-Q368 VanDerWaalsContact C-N 3.33Å; M366-Q368 PolarHBondContact O-N 3.07Å; M366-M369 PolarHBondContact O-N 2.79Å; M366-L370 HydrophobicContact CG-CD1 3.74Å; M366-L370 WeakPolarHBondContact O-CB 3.09Å; M366-L370 WeakPolarHBondContact O-CD1 3.34Å; M366-L370 PolarHBondContact O-N 3.11Å |
| 367 | R | 73.5 | Confident | 69.5 | Low | 157 Ų | 157 | 94.9 Ų | 94.9 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 170.3 | -89.6 | 176.1 | 68.4 | 95.2 | -5.6 | 112.6 | E346 R363 D364 P371 | E346-R367 IonicContact OE1-NH1 3.64Å; R363-R367 WeakPolarHBondContact O-CB 3.44Å; R363-R367 PolarHBondContact O-N 2.72Å; D364-R367 PolarHBondContact O-N 3.45Å; R367-P371 WeakPolarHBondContact O-CD 3.17Å |
| 368 | Q | 74.2 | Confident | 69.7 | Low | 158 Ų | 158 | 97.1 Ų | 97.1 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.5 | -29.5 | 177.8 | -165.6 | 160.9 | 31 | 0 | 0 | 112.5 | D364 Q365 M366 | D364-Q368 WeakPolarHBondContact O-CB 3.42Å; D364-Q368 PolarHBondContact O-N 3.39Å; Q365-Q368 PolarHBondContact O-N 3.2Å; M366-Q368 VanDerWaalsContact C-N 3.33Å; M366-Q368 PolarHBondContact O-N 3.07Å |
| 369 | M | 66.9 | Low | 70.3 | Confident | 94 Ų | 94 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -82.2 | -30.2 | 176.5 | -165.4 | -174.6 | -60.3 | 0 | 0 | 112.9 | Q365 M366 Q372 L373 | Q365-M369 HydrophobicContact CG-CE 4.45Å; Q365-M369 VanDerWaalsContact O-CB 3.29Å; Q365-M369 WeakPolarHBondContact O-CB 2.97Å; Q365-M369 PolarHBondContact O-N 3.19Å; M366-M369 PolarHBondContact O-N 2.79Å; M369-Q372 CarbonylContact O-C 3.01Å; M369-Q372 PolarHBondContact O-N 3.41Å; M369-L373 HydrophobicContact CG-CB 4.42Å; M369-L373 VanDerWaalsContact O-CB 3.29Å; M369-L373 WeakPolarHBondContact O-CB 3.48Å; M369-L373 PolarHBondContact O-N 2.94Å |
| 370 | L | 66.6 | Low | 70.8 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 25% | 0.251 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -51.6 | -44.5 | -177.3 | -120.1 | 75.1 | 0 | 0 | 0 | 114.8 | I349 M366 A374 | I349-L370 HydrophobicContact CD1-CD2 4.29Å; M366-L370 HydrophobicContact CG-CD1 3.74Å; M366-L370 WeakPolarHBondContact O-CB 3.09Å; M366-L370 WeakPolarHBondContact O-CD1 3.34Å; M366-L370 PolarHBondContact O-N 3.11Å; L370-A374 WeakPolarHBondContact O-CB 3.16Å; L370-A374 PolarHBondContact O-N 3.12Å |
| 371 | P | 74.2 | Confident | 71.2 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.9 | -27.2 | 177 | 24.7 | -31.5 | 0 | 0 | 0 | 113.3 | R367 N375 | R367-P371 WeakPolarHBondContact O-CD 3.17Å; P371-N375 PolarHBondContact O-N 3.25Å; P371-N375 PolarHBondContact O-ND2 2.95Å |
| 372 | Q | 77.2 | Confident | 71 | Confident | 143 Ų | 143 | 93.8 Ų | 93.8 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -79.5 | -37.9 | 176.8 | -164.3 | 170.3 | -22.6 | 0 | 0 | 111.3 | M369 N375 Q376 | M369-Q372 CarbonylContact O-C 3.01Å; M369-Q372 PolarHBondContact O-N 3.41Å; Q372-N375 PolarHBondContact O-N 2.82Å; Q372-Q376 WeakPolarHBondContact O-CB 3.46Å; Q372-Q376 PolarHBondContact O-N 3.25Å |
| 373 | L | 67.9 | Low | 70.9 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 174.4 | -175.5 | 65.7 | 0 | 0 | 0 | 111.5 | M369 Q376 I377 | M369-L373 HydrophobicContact CG-CB 4.42Å; M369-L373 VanDerWaalsContact O-CB 3.29Å; M369-L373 WeakPolarHBondContact O-CB 3.48Å; M369-L373 PolarHBondContact O-N 2.94Å; L373-Q376 CarbonylContact O-C 3.59Å; L373-Q376 PolarHBondContact O-N 3.36Å; L373-I377 HydrophobicContact CD1-CD1 4.21Å; L373-I377 HydrophobicContact CD1-CG1 4.23Å; L373-I377 HydrophobicContact CD2-CD1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.78Å; L373-I377 HydrophobicContact CG-CG1 4.22Å; L373-I377 VanDerWaalsContact O-CB 3.29Å; L373-I377 WeakPolarHBondContact O-CB 2.97Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.39Å; L373-I377 PolarHBondContact O-N 2.99Å |
| 374 | A | 68.2 | Low | 71.3 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L370 Q376 N378 | L370-A374 WeakPolarHBondContact O-CB 3.16Å; L370-A374 PolarHBondContact O-N 3.12Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.35Å; A374-N378 WeakPolarHBondContact O-CB 3.24Å; A374-N378 PolarHBondContact O-N 2.98Å |
| 375 | N | 71.7 | Confident | 71.4 | Confident | 123 Ų | 123 | 96.4 Ų | 96.4 | 66% | 0.658 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.9 | -28.2 | 173.8 | -76.6 | -44.2 | 0 | 0 | 0 | 112.9 | P371 Q372 | P371-N375 PolarHBondContact O-N 3.25Å; P371-N375 PolarHBondContact O-ND2 2.95Å; Q372-N375 PolarHBondContact O-N 2.82Å |
| 376 | Q | 63.8 | Low | 71.4 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -82.4 | -38 | 177.6 | -170.7 | 163.2 | 41.7 | 0 | 0 | 113 | Q372 L373 A374 N378 Q379 F382 | Q372-Q376 WeakPolarHBondContact O-CB 3.46Å; Q372-Q376 PolarHBondContact O-N 3.25Å; L373-Q376 CarbonylContact O-C 3.59Å; L373-Q376 PolarHBondContact O-N 3.36Å; A374-Q376 VanDerWaalsContact C-N 3.3Å; A374-Q376 PolarHBondContact O-N 3.35Å; Q376-N378 PolarHBondContact O-N 3.49Å; Q376-Q379 VanDerWaalsContact O-CB 3.31Å; Q376-Q379 WeakPolarHBondContact O-CB 3.41Å; Q376-Q379 PolarHBondContact O-N 3.04Å; Q376-F382 HydrophobicContact CG-CB 4.5Å; Q376-F382 HydrophobicContact CG-CD2 3.88Å; Q376-F382 HydrophobicContact CG-CE2 4.42Å; Q376-F382 HydrophobicContact CG-CG 4.3Å; Q376-F382 WeakPolarHBondContact O-CB 3.45Å |
| 377 | I | 63.1 | Low | 72.2 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -32.4 | 173.3 | -79.5 | 172.2 | 0 | 0 | 0 | 110.9 | L373 Q379 F382 | L373-I377 HydrophobicContact CD1-CD1 4.21Å; L373-I377 HydrophobicContact CD1-CG1 4.23Å; L373-I377 HydrophobicContact CD2-CD1 4.28Å; L373-I377 HydrophobicContact CG-CD1 3.78Å; L373-I377 HydrophobicContact CG-CG1 4.22Å; L373-I377 VanDerWaalsContact O-CB 3.29Å; L373-I377 WeakPolarHBondContact O-CB 2.97Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.39Å; L373-I377 PolarHBondContact O-N 2.99Å; I377-Q379 PolarHBondContact O-N 3.16Å; I377-F382 HydrophobicContact CB-CD1 4.4Å; I377-F382 HydrophobicContact CB-CE1 4.41Å; I377-F382 HydrophobicContact CG1-CD1 3.99Å; I377-F382 HydrophobicContact CG1-CE1 3.52Å; I377-F382 HydrophobicContact CG1-CZ 4.2Å |
| 378 | N | 69.6 | Low | 72.7 | Confident | 136 Ų | 136 | 91.6 Ų | 91.6 | 73% | 0.727 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.2 | 174.9 | -133.1 | 11.3 | 0 | 0 | 0 | 113.3 | A374 Q376 | A374-N378 WeakPolarHBondContact O-CB 3.24Å; A374-N378 PolarHBondContact O-N 2.98Å; Q376-N378 PolarHBondContact O-N 3.49Å |
| 379 | Q | 72.8 | Confident | 73 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | trans | -80.2 | 128.7 | 173.4 | -75.6 | -158.3 | -56.7 | 0 | 0 | 111.5 | Q376 I377 S381 F382 M383 | Q376-Q379 VanDerWaalsContact O-CB 3.31Å; Q376-Q379 WeakPolarHBondContact O-CB 3.41Å; Q376-Q379 PolarHBondContact O-N 3.04Å; I377-Q379 PolarHBondContact O-N 3.16Å; Q379-S381 WeakPolarHBondContact CB-OG 3.26Å; Q379-S381 PolarHBondContact O-N 3.36Å; Q379-S381 PolarHBondContact OE1-OG 3.2Å; Q379-F382 HydrophobicContact CB-CB 4.26Å; Q379-F382 WeakPolarHBondContact O-CB 3.38Å; Q379-F382 PolarHBondContact O-N 3.22Å; Q379-M383 PolarHBondContact O-N 3.38Å; Q379-M383 VanDerWaalsContact O-N 3.12Å | ||
| 380 | P | 73.4 | Confident | 74 | Confident | 97 Ų | 97 | 93.9 Ų | 93.9 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -24.8 | 173.7 | 23.9 | -32.6 | 0 | 0 | 0 | 112.8 | N384 | P380-N384 WeakPolarHBondContact O-CB 3.47Å; P380-N384 PolarHBondContact O-N 2.92Å; P380-N384 PolarHBondContact O-ND2 3.36Å |
| 381 | S | 80.4 | Confident | 74.7 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 171.4 | 41.9 | 0 | 0 | 0 | 0 | 113.1 | Q379 M385 | Q379-S381 WeakPolarHBondContact CB-OG 3.26Å; Q379-S381 PolarHBondContact O-N 3.36Å; Q379-S381 PolarHBondContact OE1-OG 3.2Å; S381-M385 WeakPolarHBondContact O-CB 3.47Å; S381-M385 PolarHBondContact O-N 3.05Å |
| 382 | F | 73.4 | Confident | 74.8 | Confident | 42 Ų | 42 | 94.2 Ų | 94.2 | 18% | 0.184 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -74 | -39 | 175.2 | -175 | -94.2 | 0 | 0 | 0 | 111.2 | Q376 I377 Q379 N384 M385 L386 | Q376-F382 HydrophobicContact CG-CB 4.5Å; Q376-F382 HydrophobicContact CG-CD2 3.88Å; Q376-F382 HydrophobicContact CG-CE2 4.42Å; Q376-F382 HydrophobicContact CG-CG 4.3Å; Q376-F382 WeakPolarHBondContact O-CB 3.45Å; I377-F382 HydrophobicContact CB-CD1 4.4Å; I377-F382 HydrophobicContact CB-CE1 4.41Å; I377-F382 HydrophobicContact CG1-CD1 3.99Å; I377-F382 HydrophobicContact CG1-CE1 3.52Å; I377-F382 HydrophobicContact CG1-CZ 4.2Å; Q379-F382 HydrophobicContact CB-CB 4.26Å; Q379-F382 WeakPolarHBondContact O-CB 3.38Å; Q379-F382 PolarHBondContact O-N 3.22Å; F382-N384 VanDerWaalsContact C-N 3.3Å; F382-N384 PolarHBondContact O-N 3.22Å; F382-M385 WeakPolarHBondContact O-CB 3.44Å; F382-M385 PolarHBondContact O-N 3.36Å; F382-L386 HydrophobicContact CE1-CD1 3.98Å; F382-L386 HydrophobicContact CZ-CD1 4.07Å; F382-L386 PolarHBondContact O-N 3.39Å |
| 383 | M | 69.8 | Low | 75.2 | Confident | 111 Ų | 111 | 94 Ų | 94 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 172.7 | -154.5 | 73.7 | -176.7 | 0 | 0 | 111.9 | Q379 M385 L386 S387 | Q379-M383 PolarHBondContact O-N 3.38Å; Q379-M383 VanDerWaalsContact O-N 3.12Å; M383-M385 VanDerWaalsContact C-N 3.33Å; M383-L386 PolarHBondContact O-N 3.02Å; M383-S387 WeakPolarHBondContact O-CB 3.15Å; M383-S387 PolarHBondContact O-N 3.21Å; M383-S387 PolarHBondContact O-OG 2.85Å |
| 384 | N | 77.6 | Confident | 75.9 | Confident | 107 Ų | 107 | 93.4 Ų | 93.4 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.5 | -24.3 | 172.6 | -78.5 | -28.8 | 0 | 0 | 0 | 113.6 | P380 F382 S387 N388 | P380-N384 WeakPolarHBondContact O-CB 3.47Å; P380-N384 PolarHBondContact O-N 2.92Å; P380-N384 PolarHBondContact O-ND2 3.36Å; F382-N384 VanDerWaalsContact C-N 3.3Å; F382-N384 PolarHBondContact O-N 3.22Å; N384-S387 WeakPolarHBondContact CA-OG 3.44Å; N384-S387 PolarHBondContact O-OG 2.77Å; N384-N388 WeakPolarHBondContact O-CB 3.15Å; N384-N388 PolarHBondContact O-N 3.49Å |
| 385 | M | 78.2 | Confident | 76.3 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.7 | -38.7 | 172.4 | -174.2 | 178.7 | 175.6 | 0 | 0 | 110.9 | S381 F382 M383 N388 A391 M395 | S381-M385 WeakPolarHBondContact O-CB 3.47Å; S381-M385 PolarHBondContact O-N 3.05Å; F382-M385 WeakPolarHBondContact O-CB 3.44Å; F382-M385 PolarHBondContact O-N 3.36Å; M383-M385 VanDerWaalsContact C-N 3.33Å; M385-N388 PolarHBondContact O-N 3.34Å; M385-A391 HydrophobicContact CG-CB 3.9Å; M385-A391 WeakPolarHBondContact O-CB 3.35Å; M385-M395 HydrophobicContact CE-CB 4.09Å; M385-M395 HydrophobicContact CE-CE 4.22Å; M385-M395 HydrophobicContact CE-CG 3.93Å; M385-M395 HydrophobicContact CE-SD 3.49Å; M385-M395 WeakPolarHBondContact CE-SD 3.29Å |
| 386 | L | 71.8 | Confident | 76.6 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -34.6 | 178.9 | -137 | 86.5 | 0 | 0 | 0 | 112.6 | F382 M383 N388 | F382-L386 HydrophobicContact CE1-CD1 3.98Å; F382-L386 HydrophobicContact CZ-CD1 4.07Å; F382-L386 PolarHBondContact O-N 3.39Å; M383-L386 PolarHBondContact O-N 3.02Å; L386-N388 VanDerWaalsContact C-N 3.32Å |
| 387 | S | 82.6 | Confident | 77.6 | Confident | 83 Ų | 83 | 98.1 Ų | 98.1 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -80.3 | -13.6 | 177 | 69.5 | 0 | 0 | 0 | 0 | 113.5 | M383 N384 P389 | M383-S387 WeakPolarHBondContact O-CB 3.15Å; M383-S387 PolarHBondContact O-N 3.21Å; M383-S387 PolarHBondContact O-OG 2.85Å; N384-S387 WeakPolarHBondContact CA-OG 3.44Å; N384-S387 PolarHBondContact O-OG 2.77Å; S387-P389 WeakPolarHBondContact O-CD 3.33Å |
| 388 | N | 83.6 | Confident | 78.4 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | trans | -94.5 | 105.1 | -178 | -168.9 | -18.5 | 0 | 0 | 0 | 109.9 | N384 M385 L386 R390 A391 L392 | N384-N388 WeakPolarHBondContact O-CB 3.15Å; N384-N388 PolarHBondContact O-N 3.49Å; M385-N388 PolarHBondContact O-N 3.34Å; L386-N388 VanDerWaalsContact C-N 3.32Å; N388-R390 PolarHBondContact O-N 2.75Å; N388-R390 VanDerWaalsContact O-N 3.1Å; N388-R390 VanDerWaalsContact OD1-CB 3.28Å; N388-R390 WeakPolarHBondContact OD1-CB 3.35Å; N388-R390 PolarHBondContact OD1-N 2.7Å; N388-R390 VanDerWaalsContact OD1-N 3.15Å; N388-A391 HydrophobicContact CB-CB 3.82Å; N388-A391 WeakPolarHBondContact O-CA 3.49Å; N388-A391 WeakPolarHBondContact O-CB 3.43Å; N388-A391 PolarHBondContact O-N 3.29Å; N388-L392 PolarHBondContact O-N 3.46Å | ||
| 389 | P | 79.4 | Confident | 78.4 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -28.1 | -179.4 | 24.9 | -34.6 | 0 | 0 | 0 | 111.8 | S387 Q393 | S387-P389 WeakPolarHBondContact O-CD 3.33Å; P389-Q393 VanDerWaalsContact O-CB 3.3Å; P389-Q393 WeakPolarHBondContact O-CB 3.46Å; P389-Q393 PolarHBondContact O-N 2.81Å |
| 390 | R | 89.4 | Confident | 78.7 | Confident | 201 Ų | 201 | 100 Ų | 100 | 76% | 0.758 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.4 | -32.5 | 175.3 | -155.5 | 177.7 | -155.7 | 172 | 6.1 | 112.5 | N388 A394 | N388-R390 PolarHBondContact O-N 2.75Å; N388-R390 VanDerWaalsContact O-N 3.1Å; N388-R390 VanDerWaalsContact OD1-CB 3.28Å; N388-R390 WeakPolarHBondContact OD1-CB 3.35Å; N388-R390 PolarHBondContact OD1-N 2.7Å; N388-R390 VanDerWaalsContact OD1-N 3.15Å; R390-A394 VanDerWaalsContact O-CB 3.31Å; R390-A394 WeakPolarHBondContact O-CB 3.28Å; R390-A394 PolarHBondContact O-N 2.83Å |
| 391 | A | 81.3 | Confident | 79 | Confident | 23 Ų | 23 | 97 Ų | 97 | 19% | 0.19 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -75.3 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M385 N388 A394 M395 | M385-A391 HydrophobicContact CG-CB 3.9Å; M385-A391 WeakPolarHBondContact O-CB 3.35Å; N388-A391 HydrophobicContact CB-CB 3.82Å; N388-A391 WeakPolarHBondContact O-CA 3.49Å; N388-A391 WeakPolarHBondContact O-CB 3.43Å; N388-A391 PolarHBondContact O-N 3.29Å; A391-A394 PolarHBondContact O-N 2.9Å; A391-M395 VanDerWaalsContact O-CB 3.28Å; A391-M395 WeakPolarHBondContact O-CB 3.43Å; A391-M395 PolarHBondContact O-N 2.75Å |
| 392 | L | 76.5 | Confident | 78.6 | Confident | 109 Ų | 109 | 97.8 Ų | 97.8 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 169.7 | -167.4 | 79.8 | 0 | 0 | 0 | 111.2 | N388 M395 M396 | N388-L392 PolarHBondContact O-N 3.46Å; L392-M395 PolarHBondContact O-N 2.75Å; L392-M396 WeakPolarHBondContact O-CB 3.33Å; L392-M396 PolarHBondContact O-N 3.44Å |
| 393 | Q | 84.9 | Confident | 78.6 | Confident | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 177.1 | -162 | 173.6 | 16.5 | 0 | 0 | 111.9 | P389 M396 Q397 | P389-Q393 VanDerWaalsContact O-CB 3.3Å; P389-Q393 WeakPolarHBondContact O-CB 3.46Å; P389-Q393 PolarHBondContact O-N 2.81Å; Q393-M396 PolarHBondContact O-N 3.37Å; Q393-Q397 WeakPolarHBondContact O-CB 3.39Å; Q393-Q397 PolarHBondContact O-N 2.98Å |
| 394 | A | 82.4 | Confident | 79 | Confident | 42 Ų | 42 | 98.6 Ų | 98.6 | 35% | 0.347 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R390 A391 Q397 I398 | R390-A394 VanDerWaalsContact O-CB 3.31Å; R390-A394 WeakPolarHBondContact O-CB 3.28Å; R390-A394 PolarHBondContact O-N 2.83Å; A391-A394 PolarHBondContact O-N 2.9Å; A394-Q397 WeakPolarHBondContact O-CB 3.26Å; A394-Q397 PolarHBondContact O-N 2.56Å; A394-I398 VanDerWaalsContact O-CG1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 3.14Å |
| 395 | M | 77.7 | Confident | 78.8 | Confident | 85 Ų | 85 | 97.4 Ų | 97.4 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 177.3 | -161.1 | -178.4 | -172.2 | 0 | 0 | 111.8 | M385 A391 L392 I398 Q399 | M385-M395 HydrophobicContact CE-CB 4.09Å; M385-M395 HydrophobicContact CE-CE 4.22Å; M385-M395 HydrophobicContact CE-CG 3.93Å; M385-M395 HydrophobicContact CE-SD 3.49Å; M385-M395 WeakPolarHBondContact CE-SD 3.29Å; A391-M395 VanDerWaalsContact O-CB 3.28Å; A391-M395 WeakPolarHBondContact O-CB 3.43Å; A391-M395 PolarHBondContact O-N 2.75Å; L392-M395 PolarHBondContact O-N 2.75Å; M395-I398 PolarHBondContact O-N 3.46Å; M395-Q399 PolarHBondContact O-N 3.34Å |
| 396 | M | 76.1 | Confident | 78.3 | Confident | 145 Ų | 145 | 99.1 Ų | 99.1 | 71% | 0.714 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | 173.2 | -144 | -170.1 | -168.5 | 0 | 0 | 111.3 | L392 Q393 I398 Q399 Q400 | L392-M396 WeakPolarHBondContact O-CB 3.33Å; L392-M396 PolarHBondContact O-N 3.44Å; Q393-M396 PolarHBondContact O-N 3.37Å; M396-I398 VanDerWaalsContact C-N 3.33Å; M396-Q399 PolarHBondContact O-N 3.45Å; M396-Q400 WeakPolarHBondContact O-CB 3.31Å; M396-Q400 PolarHBondContact O-N 3.49Å |
| 397 | Q | 84.9 | Confident | 78.2 | Confident | 142 Ų | 142 | 102.1 Ų | 102.1 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 172.3 | -169 | 174.2 | 14.9 | 0 | 0 | 112 | Q393 A394 G401 | Q393-Q397 WeakPolarHBondContact O-CB 3.39Å; Q393-Q397 PolarHBondContact O-N 2.98Å; A394-Q397 WeakPolarHBondContact O-CB 3.26Å; A394-Q397 PolarHBondContact O-N 2.56Å; Q397-G401 PolarHBondContact O-N 3.46Å |
| 398 | I | 81 | Confident | 77.7 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.1 | -42.4 | 174.5 | -70.8 | 164.9 | 0 | 0 | 0 | 111 | A394 M395 M396 Q400 G401 L402 | A394-I398 VanDerWaalsContact O-CG1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.44Å; A394-I398 PolarHBondContact O-N 3.14Å; M395-I398 PolarHBondContact O-N 3.46Å; M396-I398 VanDerWaalsContact C-N 3.33Å; I398-Q400 VanDerWaalsContact C-N 3.34Å; I398-Q400 PolarHBondContact O-N 2.96Å; I398-G401 CarbonylContact O-C 3.6Å; I398-G401 WeakPolarHBondContact O-CA 3.27Å; I398-G401 PolarHBondContact O-N 3.13Å; I398-L402 HydrophobicContact CG2-CD1 4.33Å; I398-L402 WeakPolarHBondContact O-CB 3.49Å; I398-L402 PolarHBondContact O-N 2.78Å |
| 399 | Q | 68.7 | Low | 76.6 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 175.5 | -86.5 | -173.9 | 7.4 | 0 | 0 | 111.9 | M395 M396 G401 L402 Q403 | M395-Q399 PolarHBondContact O-N 3.34Å; M396-Q399 PolarHBondContact O-N 3.45Å; Q399-G401 VanDerWaalsContact C-N 3.35Å; Q399-L402 PolarHBondContact O-N 3.17Å; Q399-Q403 WeakPolarHBondContact O-CG 3.46Å; Q399-Q403 PolarHBondContact O-N 3.2Å |
| 400 | Q | 79.9 | Confident | 75.8 | Confident | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 173 | -164.9 | 168.3 | 54.3 | 0 | 0 | 110.5 | M396 I398 L402 Q403 T404 | M396-Q400 WeakPolarHBondContact O-CB 3.31Å; M396-Q400 PolarHBondContact O-N 3.49Å; I398-Q400 VanDerWaalsContact C-N 3.34Å; I398-Q400 PolarHBondContact O-N 2.96Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.21Å; Q400-Q403 PolarHBondContact O-N 2.84Å; Q400-T404 WeakPolarHBondContact O-CB 3.45Å; Q400-T404 PolarHBondContact O-N 2.57Å; Q400-T404 PolarHBondContact O-OG1 3.08Å |
| 401 | G | 78.9 | Confident | 74.9 | Confident | 34 Ų | 34 | 95.9 Ų | 95.9 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q397 I398 Q399 L405 | Q397-G401 PolarHBondContact O-N 3.46Å; I398-G401 CarbonylContact O-C 3.6Å; I398-G401 WeakPolarHBondContact O-CA 3.27Å; I398-G401 PolarHBondContact O-N 3.13Å; Q399-G401 VanDerWaalsContact C-N 3.35Å; G401-L405 WeakPolarHBondContact O-CB 3.45Å; G401-L405 PolarHBondContact O-N 2.86Å |
| 402 | L | 73.8 | Confident | 74.3 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.3 | -32.2 | 178.4 | -128.8 | 138.3 | 0 | 0 | 0 | 112.1 | I398 Q399 Q400 L405 Q406 | I398-L402 HydrophobicContact CG2-CD1 4.33Å; I398-L402 WeakPolarHBondContact O-CB 3.49Å; I398-L402 PolarHBondContact O-N 2.78Å; Q399-L402 PolarHBondContact O-N 3.17Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.21Å; L402-L405 PolarHBondContact O-N 3.44Å; L402-Q406 WeakPolarHBondContact O-CB 3.21Å; L402-Q406 WeakPolarHBondContact O-CG 3.17Å; L402-Q406 PolarHBondContact O-N 2.86Å |
| 403 | Q | 72.2 | Confident | 73.5 | Confident | 117 Ų | 117 | 95.2 Ų | 95.2 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 168.2 | -76.3 | 176.5 | -1.2 | 0 | 0 | 111.4 | Q399 Q400 L405 Q406 Q407 | Q399-Q403 WeakPolarHBondContact O-CG 3.46Å; Q399-Q403 PolarHBondContact O-N 3.2Å; Q400-Q403 PolarHBondContact O-N 2.84Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-Q406 CarbonylContact O-C 3.51Å; Q403-Q406 PolarHBondContact O-N 3.45Å; Q403-Q407 WeakPolarHBondContact O-CB 2.98Å; Q403-Q407 WeakPolarHBondContact O-CG 3.39Å; Q403-Q407 PolarHBondContact O-N 3.3Å |
| 404 | T | 78.2 | Confident | 72.5 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 33% | 0.325 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 170.1 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | Q400 Q406 Q407 E408 | Q400-T404 WeakPolarHBondContact O-CB 3.45Å; Q400-T404 PolarHBondContact O-N 2.57Å; Q400-T404 PolarHBondContact O-OG1 3.08Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.92Å; T404-Q407 PolarHBondContact O-N 2.79Å; T404-Q407 VanDerWaalsContact O-N 3.15Å; T404-E408 HydrophobicContact CG2-CG 4.16Å; T404-E408 WeakPolarHBondContact CG2-OE2 3.36Å; T404-E408 WeakPolarHBondContact O-CB 3.11Å; T404-E408 PolarHBondContact O-N 3.38Å |
| 405 | L | 72.9 | Confident | 71.6 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 173.5 | -123.8 | 84.2 | 0 | 0 | 0 | 112.3 | G401 L402 Q403 Q407 A409 V412 | G401-L405 WeakPolarHBondContact O-CB 3.45Å; G401-L405 PolarHBondContact O-N 2.86Å; L402-L405 PolarHBondContact O-N 3.44Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; L405-Q407 VanDerWaalsContact C-N 3.34Å; L405-A409 CarbonylContact O-C 3.21Å; L405-A409 VanDerWaalsContact O-CA 3.27Å; L405-A409 WeakPolarHBondContact O-CA 3.14Å; L405-A409 PolarHBondContact O-N 3.38Å; L405-A409 VanDerWaalsContact O-O 3.13Å; L405-V412 HydrophobicContact CD2-CG2 3.59Å; L405-V412 HydrophobicContact CG-CG2 4.02Å |
| 406 | Q | 68.4 | Low | 71 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -30.7 | 174 | -85 | -177.1 | 3 | 0 | 0 | 112.7 | L402 Q403 T404 L413 | L402-Q406 WeakPolarHBondContact O-CB 3.21Å; L402-Q406 WeakPolarHBondContact O-CG 3.17Å; L402-Q406 PolarHBondContact O-N 2.86Å; Q403-Q406 CarbonylContact O-C 3.51Å; Q403-Q406 PolarHBondContact O-N 3.45Å; T404-Q406 VanDerWaalsContact C-N 3.34Å; T404-Q406 PolarHBondContact O-N 2.92Å; Q406-L413 HydrophobicContact CG-CD2 3.98Å |
| 407 | Q | 69.8 | Low | 70.2 | Confident | 165 Ų | 165 | 95.2 Ų | 95.2 | 77% | 0.771 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -83.1 | -41.8 | 177.8 | -80.9 | 177.1 | 7.4 | 0 | 0 | 113.4 | Q403 T404 L405 | Q403-Q407 WeakPolarHBondContact O-CB 2.98Å; Q403-Q407 WeakPolarHBondContact O-CG 3.39Å; Q403-Q407 PolarHBondContact O-N 3.3Å; T404-Q407 PolarHBondContact O-N 2.79Å; T404-Q407 VanDerWaalsContact O-N 3.15Å; L405-Q407 VanDerWaalsContact C-N 3.34Å |
| 408 | E | 71.6 | Confident | 68.9 | Low | 157 Ų | 157 | 96.2 Ų | 96.2 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -87.6 | -29.8 | -177.5 | -74.6 | -176.9 | 140.8 | 0 | 0 | 112.6 | T404 | T404-E408 HydrophobicContact CG2-CG 4.16Å; T404-E408 WeakPolarHBondContact CG2-OE2 3.36Å; T404-E408 WeakPolarHBondContact O-CB 3.11Å; T404-E408 PolarHBondContact O-N 3.38Å |
| 409 | A | 61.5 | Low | 67.8 | Low | 33 Ų | 33 | 96.4 Ų | 96.4 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | trans | -145.8 | 63.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L405 G411 V412 | L405-A409 CarbonylContact O-C 3.21Å; L405-A409 VanDerWaalsContact O-CA 3.27Å; L405-A409 WeakPolarHBondContact O-CA 3.14Å; L405-A409 PolarHBondContact O-N 3.38Å; L405-A409 VanDerWaalsContact O-O 3.13Å; A409-G411 PolarHBondContact O-N 2.85Å; A409-V412 HydrophobicContact CB-CB 4.49Å; A409-V412 HydrophobicContact CB-CG1 4.02Å; A409-V412 HydrophobicContact CB-CG2 3.81Å; A409-V412 WeakPolarHBondContact O-CG2 3.46Å; A409-V412 PolarHBondContact O-N 2.84Å | ||
| 410 | P | 62 | Low | 67.2 | Low | 84 Ų | 84 | 95 Ų | 95 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -55.6 | -21.2 | 174.3 | 22.1 | -32.4 | 0 | 0 | 0 | 113.4 | T414 | P410-T414 PolarHBondContact O-OG1 2.89Å |
| 411 | G | 71.3 | Confident | 66.3 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 55% | 0.546 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.1 | -22.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A409 S415 | A409-G411 PolarHBondContact O-N 2.85Å; G411-S415 PolarHBondContact O-N 2.74Å; G411-S415 VanDerWaalsContact O-N 3.16Å |
| 412 | V | 67.5 | Low | 65.5 | Low | 61 Ų | 61 | 98.6 Ų | 98.6 | 37% | 0.37 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76.7 | -29.1 | 179.9 | -61.4 | 0 | 0 | 0 | 0 | 112 | L405 A409 S415 L416 | L405-V412 HydrophobicContact CD2-CG2 3.59Å; L405-V412 HydrophobicContact CG-CG2 4.02Å; A409-V412 HydrophobicContact CB-CB 4.49Å; A409-V412 HydrophobicContact CB-CG1 4.02Å; A409-V412 HydrophobicContact CB-CG2 3.81Å; A409-V412 WeakPolarHBondContact O-CG2 3.46Å; A409-V412 PolarHBondContact O-N 2.84Å; V412-S415 WeakPolarHBondContact O-CB 3.17Å; V412-S415 PolarHBondContact O-N 3.34Å; V412-L416 WeakPolarHBondContact O-CD1 3.41Å; V412-L416 PolarHBondContact O-N 2.83Å; V412-L416 VanDerWaalsContact O-N 3.08Å |
| 413 | L | 59.4 | Low | 64.3 | Low | 57 Ų | 57 | 102.7 Ų | 102.7 | 30% | 0.298 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.6 | -33 | 178.2 | -159.4 | 68.6 | 0 | 0 | 0 | 112 | Q406 S415 L416 | Q406-L413 HydrophobicContact CG-CD2 3.98Å; L413-S415 VanDerWaalsContact C-N 3.3Å; L413-L416 PolarHBondContact O-N 2.94Å |
| 414 | T | 63.5 | Low | 63 | Low | 122 Ų | 122 | 100.7 Ų | 100.7 | 75% | 0.748 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.4 | -30.8 | 168.8 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | P410 L416 | P410-T414 PolarHBondContact O-OG1 2.89Å; T414-L416 VanDerWaalsContact C-N 3.33Å |
| 415 | S | 65.1 | Low | 61.5 | Low | 103 Ų | 103 | 104 Ų | 104 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.1 | -19.7 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 113.7 | G411 V412 L413 | G411-S415 PolarHBondContact O-N 2.74Å; G411-S415 VanDerWaalsContact O-N 3.16Å; V412-S415 WeakPolarHBondContact O-CB 3.17Å; V412-S415 PolarHBondContact O-N 3.34Å; L413-S415 VanDerWaalsContact C-N 3.3Å |
| 416 | L | 63.7 | Low | 60.1 | Low | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 10.7 | -176.8 | -91.2 | 147.3 | 0 | 0 | 0 | 113.9 | V412 L413 T414 M418 | V412-L416 WeakPolarHBondContact O-CD1 3.41Å; V412-L416 PolarHBondContact O-N 2.83Å; V412-L416 VanDerWaalsContact O-N 3.08Å; L413-L416 PolarHBondContact O-N 2.94Å; T414-L416 VanDerWaalsContact C-N 3.33Å; L416-M418 PolarHBondContact O-N 3.2Å |
| 417 | G | 60.3 | Low | 59.1 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.9 | 15.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S419 | G417-S419 PolarHBondContact O-N 2.87Š|
| 418 | M | 58 | Low | 57.8 | Low | 164 Ų | 164 | 103 Ų | 103 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -94.2 | 69.9 | 175.1 | -61.4 | -178.9 | 91.3 | 0 | 0 | 110.3 | L416 | L416-M418 PolarHBondContact O-N 3.2Š| ||
| 419 | S | 56.6 | Low | 56.2 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -77 | 118.8 | 176.9 | 54 | 0 | 0 | 0 | 0 | 111.4 | G417 | G417-S419 PolarHBondContact O-N 2.87Š|
| 420 | A | 56 | Low | 55.3 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 421 | P | 61.7 | Low | 54.2 | Low | 119 Ų | 119 | 105 Ų | 105 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 151.2 | 176.5 | 27.4 | -30.5 | 0 | 0 | 0 | 112 | ||
| 422 | P | 61.4 | Low | 52.7 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 136.6 | -162.9 | 30.3 | -34.7 | 0 | 0 | 0 | 113.6 | G424 | P422-G424 PolarHBondContact O-N 2.91Š|
| 423 | I | 48.7 | Very low | 51.5 | Low | 170 Ų | 170 | 112 Ų | 112 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -69.3 | 112.9 | 160.4 | -19.8 | 174.1 | 0 | 0 | 0 | 106.4 | P425 | I423-P425 WeakPolarHBondContact O-CD 3.36Š| ||
| 424 | G | 46.1 | Very low | 50.8 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -87.8 | 125 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P422 | P422-G424 PolarHBondContact O-N 2.91Š| ||
| 425 | P | 46.1 | Very low | 49.7 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -105.4 | 137.4 | 160.1 | 35.1 | -24.1 | 0 | 0 | 0 | 110 | I423 | I423-P425 WeakPolarHBondContact O-CD 3.36Š| ||
| 426 | G | 43.1 | Very low | 48.5 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -134.2 | 66.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 427 | S | 47.9 | Very low | 47.4 | Very low | 117 Ų | 117 | 116.1 Ų | 116.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -68.7 | 126.5 | 163.3 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | V | 42.7 | Very low | 46.4 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 128.1 | 165 | -75.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 429 | T | 37.6 | Very low | 45.8 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 160.9 | 118 | 139.1 | -77.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 430 | S | 42.5 | Very low | 45 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 81.1 | 109.9 | 148.2 | -62.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 431 | G | 39.4 | Very low | 44.2 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 68.6 | 132.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 432 | T | 38.6 | Very low | 43.3 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | cis | -169.1 | 141.9 | 29.9 | -40 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 433 | T | 42.1 | Very low | 42.5 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -54 | -178.3 | 170.2 | 40.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 434 | P | 44.8 | Very low | 42.3 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -143.2 | -174.8 | -11.4 | 22.3 | 4.4 | 0 | 0 | 0 | 116.4 | ||||
| 435 | A | 40.7 | Very low | 42.2 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | 86.2 | 135 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 436 | G | 39.4 | Very low | 42.1 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | -175.9 | 174.3 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 437 | E | 42.5 | Very low | 41.9 | Very low | 201 Ų | 201 | 117.9 Ų | 117.9 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | 88.8 | 99.7 | 153.8 | -54.6 | -179.6 | 124.1 | 0 | 0 | 120.6 | ||||
| 438 | T | 38.2 | Very low | 41.9 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -81.2 | -168.1 | 150.4 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 439 | P | 46.4 | Very low | 41.7 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -141.6 | -172.4 | -9.6 | 22.5 | 5.2 | 0 | 0 | 0 | 116.3 | ||||
| 440 | A | 39.9 | Very low | 42.1 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | 85.5 | 135.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 441 | T | 38.8 | Very low | 42 | Very low | 128 Ų | 128 | 119 Ų | 119 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | -176.6 | 127.2 | 59.9 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 442 | V | 43 | Very low | 42 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 14.8 | 144.3 | 135.9 | -165.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 443 | S | 42.9 | Very low | 42 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 121.6 | 141.6 | 148.5 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 444 | A | 45.8 | Very low | 42 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -172.3 | 165 | -9.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 445 | P | 43 | Very low | 41.6 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -111.1 | 161.3 | -177 | 38.9 | -27.9 | 0 | 0 | 0 | 115.3 | ||||
| 446 | G | 44 | Very low | 41.7 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 163.7 | 156.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 447 | D | 39.9 | Very low | 41.8 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | cis | -172.1 | 146.7 | -10.5 | -174.4 | 0.1 | 0 | 0 | 0 | 103.3 | ||||
| 448 | N | 46.7 | Very low | 41.8 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | 178.5 | 113.5 | 150.4 | -91.7 | -18.3 | 0 | 0 | 0 | 110.8 | ||||
| 449 | S | 40.4 | Very low | 41.6 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -97.8 | 143.3 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 450 | D | 44.4 | Very low | 41.2 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -173.6 | 156.2 | 147.5 | -163.6 | 29.8 | 0 | 0 | 0 | 108.9 | ||||
| 451 | S | 42 | Very low | 40.9 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 58% | 0.58 | 77% | 0.772 | S | S | * | * | -142 | 154.4 | -76.8 | 60.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 452 | T | 39.2 | Very low | 41.1 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 57.6 | 133 | 145.3 | 19.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 453 | T | 38.9 | Very low | 41.2 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -174.8 | 145.1 | 27.3 | -61 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 454 | A | 40.8 | Very low | 41.6 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 58.7 | 135 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 455 | D | 37.4 | Very low | 41.8 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -163.8 | 137.6 | 43.6 | -171.1 | 44.5 | 0 | 0 | 0 | 111.8 | ||||
| 456 | R | 42.9 | Very low | 42.4 | Very low | 210 Ų | 210 | 124.4 Ų | 124.4 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | 26.6 | 146.4 | 146.6 | -66.6 | 173.5 | 174.8 | 171 | -4.1 | 122 | ||||
| 457 | T | 40.8 | Very low | 42.8 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | cis | -177.3 | 149.7 | -5.1 | 25.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 458 | S | 42 | Very low | 43.7 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | 93.1 | 94.1 | 152.8 | -54.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 459 | D | 33.8 | Very low | 44.3 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -56.5 | 151.3 | 156.6 | -174.4 | 10.7 | 0 | 0 | 0 | 113.9 | ||||
| 460 | T | 37.8 | Very low | 45.2 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | trans | 178.7 | 98.9 | 130.2 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 461 | T | 35.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | 47.8 | 113.7 | 129.1 | -39 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 462 | A | 42.6 | Very low | 47.5 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | trans | -152.2 | 130.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 463 | N | 44.6 | Very low | 48.9 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | trans | -51.9 | 154.4 | -176.4 | -116.3 | 10.1 | 0 | 0 | 0 | 117.4 | ||||
| 464 | P | 51.7 | Low | 50.3 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | trans | -97.6 | 130.7 | 166.6 | 35 | -26.7 | 0 | 0 | 0 | 112.8 | ||||
| 465 | P | 49.9 | Very low | 51.7 | Low | 99 Ų | 99 | 120 Ų | 120 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -113.2 | 67.2 | 171.6 | 38.7 | -27.3 | 0 | 0 | 0 | 112.2 | ||||
| 466 | N | 55.1 | Low | 53.3 | Low | 119 Ų | 119 | 117.9 Ų | 117.9 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -110 | 3.7 | -175.6 | -75.1 | 13.5 | 0 | 0 | 0 | 115.9 | ||||
| 467 | Q | 52.6 | Low | 54.3 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -98.1 | -25.9 | -177 | -67.5 | -162.2 | 71.9 | 0 | 0 | 114.8 | T471 | Q467-T471 PolarHBondContact O-OG1 3.13Š|
| 468 | A | 58.7 | Low | 55.7 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.7 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T471 S472 | A468-T471 PolarHBondContact O-N 3.22Å; A468-S472 PolarHBondContact O-N 3.02Å; A468-S472 VanDerWaalsContact O-N 3.17Å |
| 469 | E | 58.5 | Low | 56.8 | Low | 143 Ų | 143 | 113.5 Ų | 113.5 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.1 | -34.3 | 176.8 | -72.9 | -175.3 | 104.9 | 0 | 0 | 112.3 | T471 S472 L473 | E469-T471 VanDerWaalsContact C-N 3.29Å; E469-T471 PolarHBondContact O-N 3.46Å; E469-S472 PolarHBondContact O-N 3.35Å; E469-L473 VanDerWaalsContact O-CB 3.28Å; E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.21Å |
| 470 | L | 59.6 | Low | 57.9 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.6 | -33.1 | 176.3 | -140.5 | 161 | 0 | 0 | 0 | 111.5 | L474 | L470-L474 WeakPolarHBondContact O-CB 3.22Å; L470-L474 PolarHBondContact O-N 3.03Å |
| 471 | T | 65.3 | Low | 58.8 | Low | 88 Ų | 88 | 113 Ų | 113 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.4 | -35.9 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 112 | Q467 A468 E469 S475 | Q467-T471 PolarHBondContact O-OG1 3.13Å; A468-T471 PolarHBondContact O-N 3.22Å; E469-T471 VanDerWaalsContact C-N 3.29Å; E469-T471 PolarHBondContact O-N 3.46Å; T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.17Å; T471-S475 PolarHBondContact O-OG 3.41Å |
| 472 | S | 69.3 | Low | 59.8 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.5 | -42.2 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 112 | A468 E469 L474 S475 S476 | A468-S472 PolarHBondContact O-N 3.02Å; A468-S472 VanDerWaalsContact O-N 3.17Å; E469-S472 PolarHBondContact O-N 3.35Å; S472-L474 VanDerWaalsContact C-N 3.35Å; S472-L474 PolarHBondContact O-N 3.15Å; S472-S475 PolarHBondContact O-N 2.84Å; S472-S476 PolarHBondContact O-N 3.25Å |
| 473 | L | 69.3 | Low | 60.2 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 63% | 0.628 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 174.5 | -170.3 | 78.5 | 0 | 0 | 0 | 111.4 | E469 S476 M477 | E469-L473 VanDerWaalsContact O-CB 3.28Å; E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.21Å; L473-S476 PolarHBondContact O-N 2.99Å; L473-M477 WeakPolarHBondContact O-CB 3.12Å; L473-M477 PolarHBondContact O-N 3.28Å |
| 474 | L | 67.8 | Low | 60.4 | Low | 106 Ų | 106 | 108.7 Ų | 108.7 | 56% | 0.555 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -34.2 | 176.9 | -172.4 | 61.2 | 0 | 0 | 0 | 112.3 | L470 S472 L478 | L470-L474 WeakPolarHBondContact O-CB 3.22Å; L470-L474 PolarHBondContact O-N 3.03Å; S472-L474 VanDerWaalsContact C-N 3.35Å; S472-L474 PolarHBondContact O-N 3.15Å; L474-L478 WeakPolarHBondContact O-CB 3.02Å; L474-L478 PolarHBondContact O-N 2.92Å |
| 475 | S | 69.7 | Low | 60.1 | Low | 77 Ų | 77 | 110.5 Ų | 110.5 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.2 | -39.8 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | T471 S472 L478 N479 | T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.17Å; T471-S475 PolarHBondContact O-OG 3.41Å; S472-S475 PolarHBondContact O-N 2.84Å; S475-L478 PolarHBondContact O-N 2.93Å; S475-N479 PolarHBondContact O-N 2.89Å |
| 476 | S | 71.4 | Confident | 59.6 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71 | -34.6 | 175.2 | -139.7 | 0 | 0 | 0 | 0 | 111.9 | S472 L473 N479 M480 | S472-S476 PolarHBondContact O-N 3.25Å; L473-S476 PolarHBondContact O-N 2.99Å; S476-N479 PolarHBondContact O-N 3.2Å; S476-M480 VanDerWaalsContact O-CB 3.23Å; S476-M480 WeakPolarHBondContact O-CB 3.06Å; S476-M480 PolarHBondContact O-N 3.35Å |
| 477 | M | 63.9 | Low | 58.8 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 54% | 0.542 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.6 | -33 | 174.1 | -169.8 | 174.3 | 169.9 | 0 | 0 | 112 | L473 M480 M481 | L473-M477 WeakPolarHBondContact O-CB 3.12Å; L473-M477 PolarHBondContact O-N 3.28Å; M477-M480 PolarHBondContact O-N 3.28Å; M477-M481 WeakPolarHBondContact O-CB 3.38Å; M477-M481 PolarHBondContact O-N 3.21Å |
| 478 | L | 70.1 | Confident | 58 | Low | 128 Ų | 128 | 110.1 Ų | 110.1 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.2 | -34.2 | 175.2 | -155.9 | 75.3 | 0 | 0 | 0 | 112.7 | L474 S475 S482 | L474-L478 WeakPolarHBondContact O-CB 3.02Å; L474-L478 PolarHBondContact O-N 2.92Å; S475-L478 PolarHBondContact O-N 2.93Å; L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 3.25Å |
| 479 | N | 65.1 | Low | 56.9 | Low | 120 Ų | 120 | 110 Ų | 110 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.3 | -28.1 | 174 | -134.3 | 46.1 | 0 | 0 | 0 | 112.2 | S475 S476 S482 T483 | S475-N479 PolarHBondContact O-N 2.89Å; S476-N479 PolarHBondContact O-N 3.2Å; N479-S482 PolarHBondContact O-OG 3.14Å; N479-T483 PolarHBondContact O-OG1 3.49Å |
| 480 | M | 58.2 | Low | 55.8 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80 | -30.7 | 172.2 | -169.7 | 164.6 | 166 | 0 | 0 | 112.2 | S476 M477 T483 T484 | S476-M480 VanDerWaalsContact O-CB 3.23Å; S476-M480 WeakPolarHBondContact O-CB 3.06Å; S476-M480 PolarHBondContact O-N 3.35Å; M477-M480 PolarHBondContact O-N 3.28Å; M480-T483 PolarHBondContact O-N 3.09Å; M480-T484 VanDerWaalsContact O-CB 3.24Å; M480-T484 WeakPolarHBondContact O-CB 3.3Å; M480-T484 PolarHBondContact O-N 3.4Å; M480-T484 PolarHBondContact O-OG1 3.09Å |
| 481 | M | 56.3 | Low | 54.9 | Low | 116 Ų | 116 | 108 Ų | 108 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.1 | -24.6 | 179.2 | -157.9 | 170.8 | -158.3 | 0 | 0 | 113.1 | M477 T483 N485 | M477-M481 WeakPolarHBondContact O-CB 3.38Å; M477-M481 PolarHBondContact O-N 3.21Å; M481-T483 VanDerWaalsContact C-N 3.34Å; M481-N485 VanDerWaalsContact O-CB 3.3Å; M481-N485 WeakPolarHBondContact O-CB 3.38Å; M481-N485 PolarHBondContact O-N 3.28Å |
| 482 | S | 55.6 | Low | 54.1 | Low | 80 Ų | 80 | 109.8 Ų | 109.8 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75 | -23.3 | 166.8 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | L478 N479 | L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 3.25Å; N479-S482 PolarHBondContact O-OG 3.14Å |
| 483 | T | 50.7 | Low | 53.3 | Low | 110 Ų | 110 | 113.2 Ų | 113.2 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -87.1 | -23.7 | 173.3 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | N479 M480 M481 | N479-T483 PolarHBondContact O-OG1 3.49Å; M480-T483 PolarHBondContact O-N 3.09Å; M481-T483 VanDerWaalsContact C-N 3.34Å |
| 484 | T | 49.3 | Very low | 52.8 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 59% | 0.589 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -94.3 | -14.9 | -177.7 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | M480 N486 | M480-T484 VanDerWaalsContact O-CB 3.24Å; M480-T484 WeakPolarHBondContact O-CB 3.3Å; M480-T484 PolarHBondContact O-N 3.4Å; M480-T484 PolarHBondContact O-OG1 3.09Å; T484-N486 VanDerWaalsContact C-N 3.32Å; T484-N486 PolarHBondContact O-N 3.2Å |
| 485 | N | 44.8 | Very low | 52.9 | Low | 147 Ų | 147 | 107.7 Ų | 107.7 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 18.9 | 179.9 | -148.8 | 23.6 | 0 | 0 | 0 | 114.7 | M481 | M481-N485 VanDerWaalsContact O-CB 3.3Å; M481-N485 WeakPolarHBondContact O-CB 3.38Å; M481-N485 PolarHBondContact O-N 3.28Å |
| 486 | N | 39.6 | Very low | 53 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 17.2 | 171.5 | -155.6 | 51.7 | 0 | 0 | 0 | 113.1 | T484 | T484-N486 VanDerWaalsContact C-N 3.32Å; T484-N486 PolarHBondContact O-N 3.2Å |
| 487 | G | 38.5 | Very low | 53.2 | Low | 62 Ų | 62 | 108 Ų | 108 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -103.8 | -3.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 488 | L | 36 | Very low | 53.8 | Low | 183 Ų | 183 | 108.8 Ų | 108.8 | 96% | 0.958 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -142 | 88.6 | -174.7 | -70.1 | 162.7 | 0 | 0 | 0 | 110.2 | ||
| 489 | G | 35.3 | Very low | 54.4 | Low | 78 Ų | 78 | 107 Ų | 107 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | 143.8 | -7.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | T491 | G489-T491 PolarHBondContact O-N 3.45Š| ||
| 490 | A | 37 | Very low | 55.4 | Low | 82 Ų | 82 | 102.9 Ų | 102.9 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | trans | -82.4 | 106.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N492 | A490-N492 PolarHBondContact O-N 2.97Š| ||
| 491 | T | 39.5 | Very low | 56.8 | Low | 127 Ų | 127 | 102.4 Ų | 102.4 | 78% | 0.779 | 60% | 0.6 | S | S | * | * | trans | -42.2 | 103.2 | 162.1 | 41.1 | 0 | 0 | 0 | 0 | 110.6 | G489 N493 | G489-T491 PolarHBondContact O-N 3.45Å; T491-N493 WeakPolarHBondContact O-CB 3.48Å; T491-N493 PolarHBondContact O-N 2.96Å | ||
| 492 | N | 48.3 | Very low | 58.3 | Low | 127 Ų | 127 | 100 Ų | 100 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 42.9 | 34.4 | 144.2 | -114 | -78.3 | 0 | 0 | 0 | 117.4 | A490 R499 | A490-N492 PolarHBondContact O-N 2.97Å; N492-R499 VanDerWaalsContact CG-NH2 3.26Å; N492-R499 PolarHBondContact O-NH2 3.49Å; N492-R499 PolarHBondContact OD1-NH1 3.41Å; N492-R499 PolarHBondContact OD1-NH2 2.98Å |
| 493 | N | 53.8 | Low | 59.8 | Low | 153 Ų | 153 | 98.4 Ų | 98.4 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -125.8 | 9.3 | -178.1 | -141.2 | 22.6 | 0 | 0 | 0 | 115.1 | T491 | T491-N493 WeakPolarHBondContact O-CB 3.48Å; T491-N493 PolarHBondContact O-N 2.96Å | ||
| 494 | A | 58.6 | Low | 61.6 | Low | 45 Ų | 45 | 93.9 Ų | 93.9 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -65.7 | 140.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R499 | A494-R499 HydrophobicContact CB-CG 4.3Š|
| 495 | P | 69.9 | Low | 63.5 | Low | 65 Ų | 65 | 95.2 Ų | 95.2 | 42% | 0.422 | 55% | 0.553 | S | S | . | * | trans | -53.2 | 141.9 | 177 | 22.1 | -32.1 | 0 | 0 | 0 | 109.4 | E497 Q498 R499 | P495-E497 PolarHBondContact O-N 2.76Å; P495-Q498 HydrophobicContact CG-CB 4.31Å; P495-Q498 HydrophobicContact CG-CG 4.07Å; P495-Q498 PolarHBondContact O-N 3.08Å; P495-R499 PolarHBondContact O-N 2.93Å | ||
| 496 | P | 70.8 | Confident | 65.4 | Low | 55 Ų | 55 | 91.9 Ų | 91.9 | 36% | 0.357 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -53.8 | -29.3 | -174.1 | 20.8 | -32.8 | 0 | 0 | 0 | 112.4 | Q498 R499 Y500 L519 I523 | P496-Q498 VanDerWaalsContact C-N 3.33Å; P496-Q498 PolarHBondContact O-N 3.49Å; P496-R499 WeakPolarHBondContact O-CB 3.11Å; P496-R499 PolarHBondContact O-N 3.48Å; P496-Y500 HydrophobicContact CB-CD2 4.23Å; P496-Y500 HydrophobicContact CB-CE2 4.23Å; P496-Y500 WeakPolarHBondContact O-CD2 3.38Å; P496-Y500 PolarHBondContact O-N 3.39Å; P496-Y500 VanDerWaalsContact O-N 3.08Å; P496-L519 HydrophobicContact CB-CD1 4.23Å; P496-L519 HydrophobicContact CB-CD2 4.35Å; P496-L519 HydrophobicContact CB-CG 4.42Å; P496-L519 HydrophobicContact CG-CD2 4.15Å; P496-I523 HydrophobicContact CB-CD1 3.74Å; P496-I523 HydrophobicContact CB-CG1 3.88Å; P496-I523 HydrophobicContact CG-CD1 4.11Å |
| 497 | E | 76 | Confident | 67.7 | Low | 108 Ų | 108 | 85.3 Ų | 85.3 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -35.1 | 178.8 | -44.1 | -160.4 | 129.1 | 0 | 0 | 113.3 | P495 Q501 L519 | P495-E497 PolarHBondContact O-N 2.76Å; E497-Q501 PolarHBondContact O-N 3.37Å; E497-L519 VanDerWaalsContact CA-CD1 3.44Å; E497-L519 HydrophobicContact CB-CD1 3.95Å; E497-L519 HydrophobicContact CG-CD1 3.63Å |
| 498 | Q | 77.3 | Confident | 70.1 | Confident | 128 Ų | 128 | 84.7 Ų | 84.7 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -80 | -32.6 | 177 | -74.8 | 179.7 | -13.3 | 0 | 0 | 111.9 | P495 P496 Y500 | P495-Q498 HydrophobicContact CG-CB 4.31Å; P495-Q498 HydrophobicContact CG-CG 4.07Å; P495-Q498 PolarHBondContact O-N 3.08Å; P496-Q498 VanDerWaalsContact C-N 3.33Å; P496-Q498 PolarHBondContact O-N 3.49Å; Q498-Y500 VanDerWaalsContact C-N 3.28Å; Q498-Y500 PolarHBondContact O-N 2.77Å |
| 499 | R | 81.4 | Confident | 72.6 | Confident | 91 Ų | 91 | 82 Ų | 82 | 34% | 0.343 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.2 | -65.4 | -75 | -157.3 | 94.5 | 34.2 | 111.4 | N492 A494 P495 P496 | N492-R499 VanDerWaalsContact CG-NH2 3.26Å; N492-R499 PolarHBondContact O-NH2 3.49Å; N492-R499 PolarHBondContact OD1-NH1 3.41Å; N492-R499 PolarHBondContact OD1-NH2 2.98Å; A494-R499 HydrophobicContact CB-CG 4.3Å; P495-R499 PolarHBondContact O-N 2.93Å; P496-R499 WeakPolarHBondContact O-CB 3.11Å; P496-R499 PolarHBondContact O-N 3.48Å |
| 500 | Y | 86.2 | Confident | 74.9 | Confident | 33 Ų | 33 | 82.6 Ų | 82.6 | 13% | 0.129 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 21.3 | -170.9 | -58 | -58.7 | 0 | 0 | 0 | 113 | P496 Q498 A502 E503 L504 L522 I523 | P496-Y500 HydrophobicContact CB-CD2 4.23Å; P496-Y500 HydrophobicContact CB-CE2 4.23Å; P496-Y500 WeakPolarHBondContact O-CD2 3.38Å; P496-Y500 PolarHBondContact O-N 3.39Å; P496-Y500 VanDerWaalsContact O-N 3.08Å; Q498-Y500 VanDerWaalsContact C-N 3.28Å; Q498-Y500 PolarHBondContact O-N 2.77Å; Y500-A502 VanDerWaalsContact C-N 3.34Å; Y500-A502 PolarHBondContact O-N 2.81Å; Y500-E503 WeakPolarHBondContact CA-OE2 3.43Å; Y500-E503 PolarHBondContact O-N 2.72Å; Y500-L504 VanDerWaalsContact O-CB 3.28Å; Y500-L504 WeakPolarHBondContact O-CB 3.42Å; Y500-L504 WeakPolarHBondContact O-CG 3.29Å; Y500-L504 PolarHBondContact O-N 3.07Å; Y500-L522 HydrophobicContact CD1-CB 4.11Å; Y500-L522 HydrophobicContact CD2-CB 4.16Å; Y500-L522 HydrophobicContact CG-CB 3.9Å; Y500-I523 HydrophobicContact CD2-CG1 4.18Å; Y500-I523 HydrophobicContact CE2-CB 4.38Å; Y500-I523 HydrophobicContact CE2-CG1 3.64Å |
| 501 | Q | 88 | Confident | 77.2 | Confident | 125 Ų | 125 | 80.5 Ų | 80.5 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | -173.1 | -175.3 | 174.1 | -12 | 0 | 0 | 112.1 | E497 E505 | E497-Q501 PolarHBondContact O-N 3.37Å; Q501-E505 PolarHBondContact O-N 3.36Å; Q501-E505 VanDerWaalsContact O-N 3.09Å |
| 502 | A | 86.9 | Confident | 79.4 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 54% | 0.537 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y500 E505 I506 | Y500-A502 VanDerWaalsContact C-N 3.34Å; Y500-A502 PolarHBondContact O-N 2.81Å; A502-E505 PolarHBondContact O-N 3.37Å; A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.74Å |
| 503 | E | 88.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 22% | 0.22 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 179.3 | -64.4 | 85.7 | 169.4 | 0 | 0 | 112.3 | Y500 E505 I506 L507 L522 V529 | Y500-E503 WeakPolarHBondContact CA-OE2 3.43Å; Y500-E503 PolarHBondContact O-N 2.72Å; E503-E505 VanDerWaalsContact C-N 3.31Å; E503-I506 PolarHBondContact O-N 3.29Å; E503-L507 WeakPolarHBondContact O-CB 3.08Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.41Å; E503-L522 HydrophobicContact CB-CD1 3.54Å; E503-L522 HydrophobicContact CB-CD2 3.51Å; E503-L522 HydrophobicContact CB-CG 4.16Å; E503-L522 HydrophobicContact CG-CD2 4.02Å; E503-V529 HydrophobicContact CB-CG2 3.72Å; E503-V529 HydrophobicContact CG-CG2 3.5Å |
| 504 | L | 88.1 | Confident | 82.7 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 172.6 | -76.4 | 173.9 | 0 | 0 | 0 | 111.1 | Y500 A508 R515 N518 L519 L522 | Y500-L504 VanDerWaalsContact O-CB 3.28Å; Y500-L504 WeakPolarHBondContact O-CB 3.42Å; Y500-L504 WeakPolarHBondContact O-CG 3.29Å; Y500-L504 PolarHBondContact O-N 3.07Å; L504-A508 VanDerWaalsContact O-CB 3.29Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.74Å; L504-R515 HydrophobicContact CD1-CG 4.19Å; L504-R515 HydrophobicContact CD2-CG 4.17Å; L504-N518 HydrophobicContact CD2-CB 3.44Å; L504-N518 VanDerWaalsContact CD2-CB 3.44Å; L504-L519 HydrophobicContact CD1-CD1 4.07Å; L504-L519 HydrophobicContact CD2-CB 4.33Å; L504-L522 HydrophobicContact CD2-CD1 3.91Å; L504-L522 HydrophobicContact CG-CD1 4.02Å |
| 505 | E | 87.8 | Confident | 84.1 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.8 | -40.6 | 175.9 | -166.4 | 175.8 | 109.1 | 0 | 0 | 111.4 | Q501 A502 E503 A508 N509 | Q501-E505 PolarHBondContact O-N 3.36Å; Q501-E505 VanDerWaalsContact O-N 3.09Å; A502-E505 PolarHBondContact O-N 3.37Å; E503-E505 VanDerWaalsContact C-N 3.31Å; E505-A508 PolarHBondContact O-N 2.67Å; E505-N509 WeakPolarHBondContact O-CB 3.34Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 PolarHBondContact O-ND2 2.98Å |
| 506 | I | 86.3 | Confident | 84.9 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.2 | -64.4 | 162.2 | 0 | 0 | 0 | 110.7 | A502 E503 A508 N509 M510 V529 | A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.47Å; A502-I506 PolarHBondContact O-N 2.74Å; E503-I506 PolarHBondContact O-N 3.29Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.38Å; I506-N509 PolarHBondContact O-N 3.15Å; I506-M510 HydrophobicContact CG2-CE 3.74Å; I506-M510 HydrophobicContact CG2-SD 4.35Å; I506-M510 WeakPolarHBondContact O-CG 3.46Å; I506-M510 PolarHBondContact O-N 3.22Å; I506-V529 HydrophobicContact CB-CG1 4.41Å; I506-V529 HydrophobicContact CD1-CG2 4.37Å; I506-V529 HydrophobicContact CG2-CG1 3.78Å |
| 507 | L | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.3 | -75.9 | 171.3 | 0 | 0 | 0 | 112.1 | E503 M510 G511 F512 N518 L522 V529 A532 I533 L536 | E503-L507 WeakPolarHBondContact O-CB 3.08Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.41Å; L507-M510 HydrophobicContact CD2-CE 3.78Å; L507-M510 HydrophobicContact CG-CE 4.34Å; L507-M510 PolarHBondContact O-N 2.91Å; L507-G511 PolarHBondContact O-N 2.81Å; L507-F512 HydrophobicContact CB-CB 4.3Å; L507-F512 HydrophobicContact CD2-CD2 3.89Å; L507-F512 HydrophobicContact CD2-CE2 4.41Å; L507-F512 HydrophobicContact CD2-CG 4.48Å; L507-F512 WeakPolarHBondContact O-CB 3.39Å; L507-F512 PolarHBondContact O-N 3.04Å; L507-N518 HydrophobicContact CB-CB 4.34Å; L507-N518 WeakPolarHBondContact CB-ND2 3.32Å; L507-N518 HydrophobicContact CD1-CB 3.6Å; L507-L522 HydrophobicContact CD1-CD1 3.41Å; L507-L522 VanDerWaalsContact CD1-CD1 3.41Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD1-CG 3.72Å; L507-V529 HydrophobicContact CD2-CG1 4.36Å; L507-V529 HydrophobicContact CG-CG1 4.4Å; L507-A532 HydrophobicContact CD1-CB 4.24Å; L507-I533 HydrophobicContact CD2-CG1 3.67Å; L507-L536 HydrophobicContact CD1-CD1 3.94Å; L507-L536 HydrophobicContact CD2-CD1 3.59Å; L507-L536 HydrophobicContact CG-CD1 4.37Å |
| 508 | A | 87.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 41% | 0.405 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L504 E505 I506 M510 G511 F512 | L504-A508 VanDerWaalsContact O-CB 3.29Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 2.74Å; E505-A508 PolarHBondContact O-N 2.67Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.38Å; A508-M510 VanDerWaalsContact C-N 3.25Å; A508-M510 PolarHBondContact O-N 2.97Å; A508-G511 PolarHBondContact O-N 2.63Å; A508-F512 WeakPolarHBondContact CA-O 3.36Å |
| 509 | N | 87.9 | Confident | 87.1 | Confident | 128 Ų | 128 | 72.3 Ų | 72.3 | 68% | 0.684 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.4 | -27.1 | 175.5 | -72 | -25.2 | 0 | 0 | 0 | 112.8 | E505 I506 G511 | E505-N509 WeakPolarHBondContact O-CB 3.34Å; E505-N509 PolarHBondContact O-N 2.88Å; E505-N509 PolarHBondContact O-ND2 2.98Å; I506-N509 PolarHBondContact O-N 3.15Å; N509-G511 VanDerWaalsContact C-N 3.3Å |
| 510 | M | 84.1 | Confident | 87.4 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.8 | 173.4 | -70.7 | -175.8 | -58.7 | 0 | 0 | 114 | I506 L507 A508 F512 V529 I533 | I506-M510 HydrophobicContact CG2-CE 3.74Å; I506-M510 HydrophobicContact CG2-SD 4.35Å; I506-M510 WeakPolarHBondContact O-CG 3.46Å; I506-M510 PolarHBondContact O-N 3.22Å; L507-M510 HydrophobicContact CD2-CE 3.78Å; L507-M510 HydrophobicContact CG-CE 4.34Å; L507-M510 PolarHBondContact O-N 2.91Å; A508-M510 VanDerWaalsContact C-N 3.25Å; A508-M510 PolarHBondContact O-N 2.97Å; M510-F512 HydrophobicContact CB-CD2 4.29Å; M510-V529 HydrophobicContact CE-CG1 3.7Å; M510-I533 HydrophobicContact CE-CD1 3.29Å; M510-I533 HydrophobicContact CE-CG1 3.55Å; M510-I533 HydrophobicContact SD-CD1 3.5Å; M510-I533 WeakPolarHBondContact SD-CD1 3.42Å; M510-I533 HydrophobicContact SD-CG1 4.28Å |
| 511 | G | 85.9 | Confident | 87.6 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100 | -0.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L507 A508 N509 V513 | L507-G511 PolarHBondContact O-N 2.81Å; A508-G511 PolarHBondContact O-N 2.63Å; N509-G511 VanDerWaalsContact C-N 3.3Å; G511-V513 PolarHBondContact O-N 3.43Å |
| 512 | F | 86 | Confident | 87.7 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 16% | 0.158 | 36% | 0.359 | C | S | . | . | trans | -80 | 88.5 | 170.4 | -60.9 | -82.7 | 0 | 0 | 0 | 109.3 | L507 A508 M510 N514 N518 I533 L536 L537 | L507-F512 HydrophobicContact CB-CB 4.3Å; L507-F512 HydrophobicContact CD2-CD2 3.89Å; L507-F512 HydrophobicContact CD2-CE2 4.41Å; L507-F512 HydrophobicContact CD2-CG 4.48Å; L507-F512 WeakPolarHBondContact O-CB 3.39Å; L507-F512 PolarHBondContact O-N 3.04Å; A508-F512 WeakPolarHBondContact CA-O 3.36Å; M510-F512 HydrophobicContact CB-CD2 4.29Å; F512-N514 VanDerWaalsContact C-N 3.3Å; F512-N514 PolarHBondContact O-N 2.6Å; F512-N518 VanDerWaalsContact CB-OD1 3.23Å; F512-N518 WeakPolarHBondContact CB-OD1 3.05Å; F512-N518 PolarHBondContact O-ND2 3.43Å; F512-I533 HydrophobicContact CE2-CB 4.34Å; F512-I533 HydrophobicContact CE2-CG1 4.09Å; F512-I533 HydrophobicContact CE2-CG2 3.89Å; F512-I533 HydrophobicContact CZ-CG2 3.94Å; F512-L536 HydrophobicContact CB-CD1 4.24Å; F512-L536 HydrophobicContact CD1-CB 3.68Å; F512-L536 HydrophobicContact CD1-CD1 3.87Å; F512-L536 HydrophobicContact CD1-CG 4.23Å; F512-L536 HydrophobicContact CD2-CD1 4.27Å; F512-L536 HydrophobicContact CE1-CB 3.42Å; F512-L536 VanDerWaalsContact CE1-CB 3.42Å; F512-L536 HydrophobicContact CE1-CD1 4.28Å; F512-L536 HydrophobicContact CE1-CG 4.41Å; F512-L536 HydrophobicContact CG-CB 4.47Å; F512-L536 HydrophobicContact CG-CD1 3.87Å; F512-L536 HydrophobicContact CZ-CB 4.01Å; F512-L537 HydrophobicContact CE1-CD2 4.4Å; F512-L537 HydrophobicContact CZ-CD2 4.05Å; F512-L537 HydrophobicContact CZ-CG 4.09Å | ||
| 513 | V | 85 | Confident | 87.8 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 79% | 0.794 | 35% | 0.352 | S | S | * | . | trans | -77 | -15.3 | -177.3 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | G511 R515 | G511-V513 PolarHBondContact O-N 3.43Å; V513-R515 PolarHBondContact O-N 2.83Å; V513-R515 VanDerWaalsContact O-N 3.12Å | ||
| 514 | N | 87 | Confident | 87.8 | Confident | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -81.8 | 94.5 | -176.9 | -167.7 | -27.4 | 0 | 0 | 0 | 110.8 | F512 E516 A517 N518 | F512-N514 VanDerWaalsContact C-N 3.3Å; F512-N514 PolarHBondContact O-N 2.6Å; N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; N514-E516 PolarHBondContact OD1-N 3.46Å; N514-A517 HydrophobicContact CB-CB 4.04Å; N514-A517 PolarHBondContact O-N 3.49Å; N514-A517 PolarHBondContact OD1-N 3.08Å; N514-N518 WeakPolarHBondContact O-CB 3.3Å; N514-N518 PolarHBondContact O-N 3.14Å; N514-N518 PolarHBondContact O-OD1 3.18Å; N514-N518 VanDerWaalsContact O-OD1 3.14Å | ||
| 515 | R | 87.5 | Confident | 87.8 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 64% | 0.638 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.9 | -37.5 | -177.5 | -171 | -179.6 | -73.6 | 165.3 | -3.3 | 113 | L504 V513 N518 L519 | L504-R515 HydrophobicContact CD1-CG 4.19Å; L504-R515 HydrophobicContact CD2-CG 4.17Å; V513-R515 PolarHBondContact O-N 2.83Å; V513-R515 VanDerWaalsContact O-N 3.12Å; R515-N518 PolarHBondContact O-N 2.74Å; R515-L519 VanDerWaalsContact O-CB 3.27Å; R515-L519 WeakPolarHBondContact O-CB 3.13Å; R515-L519 PolarHBondContact O-N 2.87Å |
| 516 | E | 87.3 | Confident | 87.7 | Confident | 154 Ų | 154 | 70.3 Ų | 70.3 | 72% | 0.72 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.8 | -46 | 179.7 | -74.8 | 174.3 | 91 | 0 | 0 | 112.1 | N514 N518 L519 Q520 | N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; N514-E516 PolarHBondContact OD1-N 3.46Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.9Å; E516-L519 PolarHBondContact O-N 2.84Å; E516-Q520 WeakPolarHBondContact O-CB 3.48Å; E516-Q520 PolarHBondContact O-N 3.28Å |
| 517 | A | 88.5 | Confident | 87.5 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N514 L519 Q520 A521 L536 | N514-A517 HydrophobicContact CB-CB 4.04Å; N514-A517 PolarHBondContact O-N 3.49Å; N514-A517 PolarHBondContact OD1-N 3.08Å; A517-L519 PolarHBondContact O-N 2.86Å; A517-Q520 PolarHBondContact O-N 2.87Å; A517-A521 WeakPolarHBondContact O-CB 3.42Å; A517-A521 PolarHBondContact O-N 2.87Å; A517-L536 HydrophobicContact CB-CD2 3.69Å |
| 518 | N | 90.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.8 | -66.5 | -1.5 | 0 | 0 | 0 | 111.8 | L504 L507 F512 N514 R515 E516 Q520 A521 L522 L536 | L504-N518 HydrophobicContact CD2-CB 3.44Å; L504-N518 VanDerWaalsContact CD2-CB 3.44Å; L507-N518 HydrophobicContact CB-CB 4.34Å; L507-N518 WeakPolarHBondContact CB-ND2 3.32Å; L507-N518 HydrophobicContact CD1-CB 3.6Å; F512-N518 VanDerWaalsContact CB-OD1 3.23Å; F512-N518 WeakPolarHBondContact CB-OD1 3.05Å; F512-N518 PolarHBondContact O-ND2 3.43Å; N514-N518 WeakPolarHBondContact O-CB 3.3Å; N514-N518 PolarHBondContact O-N 3.14Å; N514-N518 PolarHBondContact O-OD1 3.18Å; N514-N518 VanDerWaalsContact O-OD1 3.14Å; R515-N518 PolarHBondContact O-N 2.74Å; E516-N518 VanDerWaalsContact C-N 3.3Å; E516-N518 PolarHBondContact O-N 2.9Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.78Å; N518-A521 PolarHBondContact O-N 3.15Å; N518-L522 WeakPolarHBondContact O-CB 3.09Å; N518-L522 WeakPolarHBondContact O-CD1 3.21Å; N518-L522 VanDerWaalsContact O-CG 3.26Å; N518-L522 WeakPolarHBondContact O-CG 3.41Å; N518-L522 PolarHBondContact O-N 2.93Å; N518-L536 VanDerWaalsContact OD1-CD1 3.27Å; N518-L536 WeakPolarHBondContact OD1-CD1 3.28Å |
| 519 | L | 89.6 | Confident | 87.4 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.6 | -171.2 | 102.9 | 0 | 0 | 0 | 110.8 | P496 E497 L504 R515 E516 A517 A521 L522 I523 | P496-L519 HydrophobicContact CB-CD1 4.23Å; P496-L519 HydrophobicContact CB-CD2 4.35Å; P496-L519 HydrophobicContact CB-CG 4.42Å; P496-L519 HydrophobicContact CG-CD2 4.15Å; E497-L519 VanDerWaalsContact CA-CD1 3.44Å; E497-L519 HydrophobicContact CB-CD1 3.95Å; E497-L519 HydrophobicContact CG-CD1 3.63Å; L504-L519 HydrophobicContact CD1-CD1 4.07Å; L504-L519 HydrophobicContact CD2-CB 4.33Å; R515-L519 VanDerWaalsContact O-CB 3.27Å; R515-L519 WeakPolarHBondContact O-CB 3.13Å; R515-L519 PolarHBondContact O-N 2.87Å; E516-L519 PolarHBondContact O-N 2.84Å; A517-L519 PolarHBondContact O-N 2.86Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.43Å; L519-L522 PolarHBondContact O-N 3.25Å; L519-I523 HydrophobicContact CD2-CD1 3.56Å; L519-I523 HydrophobicContact CG-CD1 3.78Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.81Å |
| 520 | Q | 89.5 | Confident | 87.4 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.7 | -36.2 | 179.3 | -168.9 | 176.4 | 15 | 0 | 0 | 112.3 | E516 A517 N518 A524 R535 | E516-Q520 WeakPolarHBondContact O-CB 3.48Å; E516-Q520 PolarHBondContact O-N 3.28Å; A517-Q520 PolarHBondContact O-N 2.87Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.78Å; Q520-A524 WeakPolarHBondContact O-CB 3.42Å; Q520-A524 PolarHBondContact O-N 3.12Å; Q520-R535 PolarHBondContact O-NH1 2.95Å |
| 521 | A | 89.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A517 N518 L519 A524 T525 A532 R535 L536 | A517-A521 WeakPolarHBondContact O-CB 3.42Å; A517-A521 PolarHBondContact O-N 2.87Å; N518-A521 PolarHBondContact O-N 3.15Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.43Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-A524 VanDerWaalsContact O-N 3.16Å; A521-T525 VanDerWaalsContact O-CG2 3.29Å; A521-T525 WeakPolarHBondContact O-CG2 3.23Å; A521-T525 PolarHBondContact O-N 2.64Å; A521-T525 PolarHBondContact O-OG1 2.98Å; A521-A532 HydrophobicContact CB-CB 3.8Å; A521-R535 HydrophobicContact CB-CB 4.49Å; A521-L536 HydrophobicContact CB-CD1 4.09Å; A521-L536 HydrophobicContact CB-CD2 4.05Å; A521-L536 HydrophobicContact CB-CG 3.69Å |
| 522 | L | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | -179.9 | -73.5 | 164.4 | 0 | 0 | 0 | 113.7 | Y500 E503 L504 L507 N518 L519 A524 T525 F526 G527 V529 A532 | Y500-L522 HydrophobicContact CD1-CB 4.11Å; Y500-L522 HydrophobicContact CD2-CB 4.16Å; Y500-L522 HydrophobicContact CG-CB 3.9Å; E503-L522 HydrophobicContact CB-CD1 3.54Å; E503-L522 HydrophobicContact CB-CD2 3.51Å; E503-L522 HydrophobicContact CB-CG 4.16Å; E503-L522 HydrophobicContact CG-CD2 4.02Å; L504-L522 HydrophobicContact CD2-CD1 3.91Å; L504-L522 HydrophobicContact CG-CD1 4.02Å; L507-L522 HydrophobicContact CD1-CD1 3.41Å; L507-L522 VanDerWaalsContact CD1-CD1 3.41Å; L507-L522 HydrophobicContact CD1-CD2 4.2Å; L507-L522 HydrophobicContact CD1-CG 3.72Å; N518-L522 WeakPolarHBondContact O-CB 3.09Å; N518-L522 WeakPolarHBondContact O-CD1 3.21Å; N518-L522 VanDerWaalsContact O-CG 3.26Å; N518-L522 WeakPolarHBondContact O-CG 3.41Å; N518-L522 PolarHBondContact O-N 2.93Å; L519-L522 PolarHBondContact O-N 3.25Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.35Å; L522-T525 PolarHBondContact O-N 2.96Å; L522-F526 PolarHBondContact O-N 3.33Å; L522-G527 PolarHBondContact O-N 2.85Å; L522-V529 HydrophobicContact CD2-CG2 4.41Å; L522-A532 HydrophobicContact CD2-CB 3.72Å; L522-A532 HydrophobicContact CG-CB 3.95Å |
| 523 | I | 88.1 | Confident | 88 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 171.6 | -70.5 | 162.5 | 0 | 0 | 0 | 109.9 | P496 Y500 L519 | P496-I523 HydrophobicContact CB-CD1 3.74Å; P496-I523 HydrophobicContact CB-CG1 3.88Å; P496-I523 HydrophobicContact CG-CD1 4.11Å; Y500-I523 HydrophobicContact CD2-CG1 4.18Å; Y500-I523 HydrophobicContact CE2-CB 4.38Å; Y500-I523 HydrophobicContact CE2-CG1 3.64Å; L519-I523 HydrophobicContact CD2-CD1 3.56Å; L519-I523 HydrophobicContact CG-CD1 3.78Å; L519-I523 HydrophobicContact CG-CG1 4.38Å; L519-I523 WeakPolarHBondContact O-CB 3.32Å; L519-I523 WeakPolarHBondContact O-CD1 3.43Å; L519-I523 WeakPolarHBondContact O-CG1 3.16Å; L519-I523 PolarHBondContact O-N 2.81Å |
| 524 | A | 88.3 | Confident | 88.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -76.5 | -26.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q520 A521 L522 | Q520-A524 WeakPolarHBondContact O-CB 3.42Å; Q520-A524 PolarHBondContact O-N 3.12Å; A521-A524 PolarHBondContact O-N 3.35Å; A521-A524 VanDerWaalsContact O-N 3.16Å; L522-A524 VanDerWaalsContact C-N 3.29Å; L522-A524 PolarHBondContact O-N 3.35Å |
| 525 | T | 90.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.16 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9.7 | 179.2 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | A521 L522 G527 D528 A531 A532 | A521-T525 VanDerWaalsContact O-CG2 3.29Å; A521-T525 WeakPolarHBondContact O-CG2 3.23Å; A521-T525 PolarHBondContact O-N 2.64Å; A521-T525 PolarHBondContact O-OG1 2.98Å; L522-T525 PolarHBondContact O-N 2.96Å; T525-G527 PolarHBondContact O-N 2.92Å; T525-D528 WeakPolarHBondContact CB-O 3.5Å; T525-D528 WeakPolarHBondContact O-CB 3.45Å; T525-D528 PolarHBondContact O-N 2.84Å; T525-D528 PolarHBondContact OG1-O 3.04Å; T525-A531 VanDerWaalsContact CG2-C 3.45Å; T525-A531 HydrophobicContact CG2-CB 3.52Å; T525-A532 HydrophobicContact CG2-CB 4.47Å |
| 526 | F | 83.9 | Confident | 88.2 | Confident | 183 Ų | 183 | 56.3 Ų | 56.3 | 80% | 0.803 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.4 | 178.9 | -66.6 | -89.5 | 0 | 0 | 0 | 113.7 | L522 | L522-F526 PolarHBondContact O-N 3.33Š|
| 527 | G | 83.3 | Confident | 88.2 | Confident | 15 Ų | 15 | 53 Ų | 53 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L522 T525 V529 | L522-G527 PolarHBondContact O-N 2.85Å; T525-G527 PolarHBondContact O-N 2.92Å; G527-V529 PolarHBondContact O-N 3.15Å; G527-V529 VanDerWaalsContact O-N 3.15Å |
| 528 | D | 87.1 | Confident | 88 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | trans | -74.3 | 108.5 | 171.4 | -167 | -46.3 | 0 | 0 | 0 | 109.9 | T525 N530 A531 A532 | T525-D528 WeakPolarHBondContact CB-O 3.5Å; T525-D528 WeakPolarHBondContact O-CB 3.45Å; T525-D528 PolarHBondContact O-N 2.84Å; T525-D528 PolarHBondContact OG1-O 3.04Å; D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 2.88Å; D528-N530 WeakPolarHBondContact OD1-CA 3.43Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.23Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact OD1-N 3.48Å; D528-A531 VanDerWaalsContact OD1-N 3.1Å; D528-A532 VanDerWaalsContact O-CB 3.32Å; D528-A532 WeakPolarHBondContact O-CB 3.25Å; D528-A532 PolarHBondContact O-N 3.35Å | ||
| 529 | V | 86.2 | Confident | 87.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | E503 I506 L507 M510 L522 G527 A532 I533 | E503-V529 HydrophobicContact CB-CG2 3.72Å; E503-V529 HydrophobicContact CG-CG2 3.5Å; I506-V529 HydrophobicContact CB-CG1 4.41Å; I506-V529 HydrophobicContact CD1-CG2 4.37Å; I506-V529 HydrophobicContact CG2-CG1 3.78Å; L507-V529 HydrophobicContact CD2-CG1 4.36Å; L507-V529 HydrophobicContact CG-CG1 4.4Å; M510-V529 HydrophobicContact CE-CG1 3.7Å; L522-V529 HydrophobicContact CD2-CG2 4.41Å; G527-V529 PolarHBondContact O-N 3.15Å; G527-V529 VanDerWaalsContact O-N 3.15Å; V529-A532 WeakPolarHBondContact O-CB 3.47Å; V529-A532 PolarHBondContact O-N 3.04Å; V529-I533 HydrophobicContact CG1-CD1 4.25Å; V529-I533 HydrophobicContact CG1-CG1 4.49Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.11Å |
| 530 | N | 87.9 | Confident | 86.9 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.3 | -43.7 | -176.8 | -64.8 | -70.9 | 0 | 0 | 0 | 111.1 | D528 A532 I533 D534 | D528-N530 VanDerWaalsContact C-N 3.33Å; D528-N530 PolarHBondContact O-N 2.88Å; D528-N530 WeakPolarHBondContact OD1-CA 3.43Å; D528-N530 WeakPolarHBondContact OD1-CB 3.4Å; D528-N530 PolarHBondContact OD1-N 3.23Å; N530-A532 VanDerWaalsContact C-N 3.27Å; N530-A532 PolarHBondContact O-N 3.23Å; N530-I533 WeakPolarHBondContact O-CB 3.41Å; N530-I533 PolarHBondContact O-N 2.71Å; N530-D534 PolarHBondContact O-N 2.6Å; N530-D534 VanDerWaalsContact O-N 3.15Å |
| 531 | A | 89.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T525 D528 D534 R535 | T525-A531 VanDerWaalsContact CG2-C 3.45Å; T525-A531 HydrophobicContact CG2-CB 3.52Å; D528-A531 HydrophobicContact CB-CB 4.08Å; D528-A531 PolarHBondContact OD1-N 3.48Å; D528-A531 VanDerWaalsContact OD1-N 3.1Å; A531-D534 PolarHBondContact O-N 2.79Å; A531-R535 PolarHBondContact O-N 2.89Å; A531-R535 VanDerWaalsContact O-N 3.1Å |
| 532 | A | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L507 A521 L522 T525 D528 V529 N530 D534 R535 L536 | L507-A532 HydrophobicContact CD1-CB 4.24Å; A521-A532 HydrophobicContact CB-CB 3.8Å; L522-A532 HydrophobicContact CD2-CB 3.72Å; L522-A532 HydrophobicContact CG-CB 3.95Å; T525-A532 HydrophobicContact CG2-CB 4.47Å; D528-A532 VanDerWaalsContact O-CB 3.32Å; D528-A532 WeakPolarHBondContact O-CB 3.25Å; D528-A532 PolarHBondContact O-N 3.35Å; V529-A532 WeakPolarHBondContact O-CB 3.47Å; V529-A532 PolarHBondContact O-N 3.04Å; N530-A532 VanDerWaalsContact C-N 3.27Å; N530-A532 PolarHBondContact O-N 3.23Å; A532-D534 PolarHBondContact O-N 2.98Å; A532-R535 PolarHBondContact O-N 3.13Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.15Å; A532-L536 WeakPolarHBondContact O-CG 3.4Å; A532-L536 PolarHBondContact O-N 2.85Å |
| 533 | I | 89 | Confident | 82.8 | Confident | 33 Ų | 33 | 84.2 Ų | 84.2 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 173.6 | -65.5 | 162 | 0 | 0 | 0 | 110.7 | L507 M510 F512 V529 N530 R535 L536 L537 | L507-I533 HydrophobicContact CD2-CG1 3.67Å; M510-I533 HydrophobicContact CE-CD1 3.29Å; M510-I533 HydrophobicContact CE-CG1 3.55Å; M510-I533 HydrophobicContact SD-CD1 3.5Å; M510-I533 WeakPolarHBondContact SD-CD1 3.42Å; M510-I533 HydrophobicContact SD-CG1 4.28Å; F512-I533 HydrophobicContact CE2-CB 4.34Å; F512-I533 HydrophobicContact CE2-CG1 4.09Å; F512-I533 HydrophobicContact CE2-CG2 3.89Å; F512-I533 HydrophobicContact CZ-CG2 3.94Å; V529-I533 HydrophobicContact CG1-CD1 4.25Å; V529-I533 HydrophobicContact CG1-CG1 4.49Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.11Å; N530-I533 WeakPolarHBondContact O-CB 3.41Å; N530-I533 PolarHBondContact O-N 2.71Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; I533-L536 CarbonylContact O-C 3.58Å; I533-L536 PolarHBondContact O-N 2.97Å; I533-L536 VanDerWaalsContact O-N 3.14Å; I533-L537 HydrophobicContact CG2-CD1 3.84Å; I533-L537 HydrophobicContact CG2-CG 4.21Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 2.76Å |
| 534 | D | 88.8 | Confident | 82.6 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | -178.9 | -168.3 | -94.8 | 0 | 0 | 0 | 111.1 | N530 A531 A532 L536 L537 Q538 | N530-D534 PolarHBondContact O-N 2.6Å; N530-D534 VanDerWaalsContact O-N 3.15Å; A531-D534 PolarHBondContact O-N 2.79Å; A532-D534 PolarHBondContact O-N 2.98Å; D534-L536 PolarHBondContact O-N 2.98Å; D534-L537 PolarHBondContact O-N 2.83Å; D534-Q538 VanDerWaalsContact O-CG 3.31Å; D534-Q538 WeakPolarHBondContact O-CG 3.36Å; D534-Q538 PolarHBondContact O-N 2.66Å; D534-Q538 PolarHBondContact OD1-NE2 2.85Å |
| 535 | R | 87 | Confident | 82.3 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 175.8 | -155.6 | -179.8 | -163 | -139.6 | 7.1 | 113.1 | Q520 A521 A531 A532 I533 S539 | Q520-R535 PolarHBondContact O-NH1 2.95Å; A521-R535 HydrophobicContact CB-CB 4.49Å; A531-R535 PolarHBondContact O-N 2.89Å; A531-R535 VanDerWaalsContact O-N 3.1Å; A532-R535 PolarHBondContact O-N 3.13Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; R535-S539 WeakPolarHBondContact O-CB 3.3Å; R535-S539 PolarHBondContact O-N 2.92Å; R535-S539 PolarHBondContact O-OG 3.45Å |
| 536 | L | 87.9 | Confident | 81.8 | Confident | 6 Ų | 6 | 90.3 Ų | 90.3 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 174.7 | -74.5 | 165 | 0 | 0 | 0 | 111.8 | L507 F512 A517 N518 A521 A532 I533 D534 S539 N540 | L507-L536 HydrophobicContact CD1-CD1 3.94Å; L507-L536 HydrophobicContact CD2-CD1 3.59Å; L507-L536 HydrophobicContact CG-CD1 4.37Å; F512-L536 HydrophobicContact CB-CD1 4.24Å; F512-L536 HydrophobicContact CD1-CB 3.68Å; F512-L536 HydrophobicContact CD1-CD1 3.87Å; F512-L536 HydrophobicContact CD1-CG 4.23Å; F512-L536 HydrophobicContact CD2-CD1 4.27Å; F512-L536 HydrophobicContact CE1-CB 3.42Å; F512-L536 VanDerWaalsContact CE1-CB 3.42Å; F512-L536 HydrophobicContact CE1-CD1 4.28Å; F512-L536 HydrophobicContact CE1-CG 4.41Å; F512-L536 HydrophobicContact CG-CB 4.47Å; F512-L536 HydrophobicContact CG-CD1 3.87Å; F512-L536 HydrophobicContact CZ-CB 4.01Å; A517-L536 HydrophobicContact CB-CD2 3.69Å; N518-L536 VanDerWaalsContact OD1-CD1 3.27Å; N518-L536 WeakPolarHBondContact OD1-CD1 3.28Å; A521-L536 HydrophobicContact CB-CD1 4.09Å; A521-L536 HydrophobicContact CB-CD2 4.05Å; A521-L536 HydrophobicContact CB-CG 3.69Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.15Å; A532-L536 WeakPolarHBondContact O-CG 3.4Å; A532-L536 PolarHBondContact O-N 2.85Å; I533-L536 CarbonylContact O-C 3.58Å; I533-L536 PolarHBondContact O-N 2.97Å; I533-L536 VanDerWaalsContact O-N 3.14Å; D534-L536 PolarHBondContact O-N 2.98Å; L536-S539 VanDerWaalsContact CA-OG 3.32Å; L536-S539 WeakPolarHBondContact CA-OG 3.35Å; L536-S539 PolarHBondContact O-N 3.32Å; L536-S539 PolarHBondContact O-OG 2.89Å; L536-S539 VanDerWaalsContact O-OG 3.08Å; L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 3Å |
| 537 | L | 87.1 | Confident | 81.7 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 45% | 0.45 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.2 | -71.6 | 171.3 | 0 | 0 | 0 | 111.1 | F512 I533 D534 N540 Q541 | F512-L537 HydrophobicContact CE1-CD2 4.4Å; F512-L537 HydrophobicContact CZ-CD2 4.05Å; F512-L537 HydrophobicContact CZ-CG 4.09Å; I533-L537 HydrophobicContact CG2-CD1 3.84Å; I533-L537 HydrophobicContact CG2-CG 4.21Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 2.76Å; D534-L537 PolarHBondContact O-N 2.83Å; L537-N540 PolarHBondContact O-N 3.36Å; L537-Q541 WeakPolarHBondContact O-CG 3.4Å; L537-Q541 PolarHBondContact O-N 3.31Å |
| 538 | Q | 84.5 | Confident | 81.6 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.2 | -68.8 | 177.4 | 18.9 | 0 | 0 | 112.7 | D534 Q541 S542 | D534-Q538 VanDerWaalsContact O-CG 3.31Å; D534-Q538 WeakPolarHBondContact O-CG 3.36Å; D534-Q538 PolarHBondContact O-N 2.66Å; D534-Q538 PolarHBondContact OD1-NE2 2.85Å; Q538-Q541 PolarHBondContact O-N 3.49Å; Q538-S542 PolarHBondContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 2.71Å |
| 539 | S | 81.7 | Confident | 81.3 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 42% | 0.42 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.3 | -31.9 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | R535 L536 S542 | R535-S539 WeakPolarHBondContact O-CB 3.3Å; R535-S539 PolarHBondContact O-N 2.92Å; R535-S539 PolarHBondContact O-OG 3.45Å; L536-S539 VanDerWaalsContact CA-OG 3.32Å; L536-S539 WeakPolarHBondContact CA-OG 3.35Å; L536-S539 PolarHBondContact O-N 3.32Å; L536-S539 PolarHBondContact O-OG 2.89Å; L536-S539 VanDerWaalsContact O-OG 3.08Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 2.97Å; S539-S542 PolarHBondContact O-OG 2.62Å; S539-S542 VanDerWaalsContact O-OG 3.07Å |
| 540 | N | 75.9 | Confident | 80.9 | Confident | 115 Ų | 115 | 94.6 Ų | 94.6 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -78.1 | -20.6 | 175.3 | -152.2 | 25 | 0 | 0 | 0 | 112.7 | L536 L537 S542 | L536-N540 WeakPolarHBondContact O-CB 3.48Å; L536-N540 PolarHBondContact O-N 3Å; L537-N540 PolarHBondContact O-N 3.36Å; N540-S542 VanDerWaalsContact C-N 3.35Å |
| 541 | Q | 71.5 | Confident | 80.4 | Confident | 166 Ų | 166 | 92.9 Ų | 92.9 | 78% | 0.776 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -79.2 | -15 | 169.8 | -78.6 | -170 | 15.5 | 0 | 0 | 113.7 | L537 Q538 | L537-Q541 WeakPolarHBondContact O-CG 3.4Å; L537-Q541 PolarHBondContact O-N 3.31Å; Q538-Q541 PolarHBondContact O-N 3.49Å |
| 542 | S | 63.4 | Low | 79.6 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 12.3 | -179.9 | 34 | 0 | 0 | 0 | 0 | 113.7 | Q538 S539 N540 | Q538-S542 PolarHBondContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 2.71Å; S539-S542 WeakPolarHBondContact CA-OG 3.47Å; S539-S542 PolarHBondContact O-N 2.97Å; S539-S542 PolarHBondContact O-OG 2.62Å; S539-S542 VanDerWaalsContact O-OG 3.07Å; N540-S542 VanDerWaalsContact C-N 3.35Å |
| 543 | R | 48.9 | Very low | 78.7 | Confident | 287 Ų | 287 | 106.1 Ų | 106.1 | 100% | 1.083 | 52% | 0.515 | S | S | * | . | trans | -117.7 | 0 | 164.5 | -92.9 | -155.3 | 157.7 | -167.9 | -3.9 | 110.5 |
Retrieved 543 of 543 residues in 174.2 ms
(Link to these results)