| 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 | 42.3 | Very low | 73.3 | Confident | 240 Ų | 240 | 115.4 Ų | 115.4 | 100% | 1.182 | 61% | 0.612 | S | S | * | * | 0 | 109.8 | 0 | -177.9 | 173.3 | -176.3 | 0 | 0 | 105.7 | |||||
| 2 | E | 42.7 | Very low | 74.9 | Confident | 154 Ų | 154 | 108.3 Ų | 108.3 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | -58.6 | 131.6 | -174.9 | -97.8 | -64.6 | 101 | 0 | 0 | 111.1 | A4 | E2-A4 PolarHBondContact O-N 3.18Š| ||
| 3 | P | 49.7 | Very low | 76.3 | Confident | 83 Ų | 83 | 100.6 Ų | 100.6 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | trans | -68.4 | 122.4 | 169.8 | 29.7 | -31.5 | 0 | 0 | 0 | 108.1 | F5 | P3-F5 HydrophobicContact CG-CE2 4.3Å; P3-F5 WeakPolarHBondContact O-CD2 3.44Å; P3-F5 PolarHBondContact O-N 2.57Å | ||
| 4 | A | 59.5 | Low | 77.5 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | trans | -64.5 | 100.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E2 G6 | E2-A4 PolarHBondContact O-N 3.18Å; A4-G6 PolarHBondContact O-N 3.27Å | ||
| 5 | F | 66.1 | Low | 78.6 | Confident | 180 Ų | 180 | 98.4 Ų | 98.4 | 79% | 0.789 | 54% | 0.536 | S | S | * | . | trans | -54.7 | 109.6 | 179.2 | -83.3 | -96.3 | 0 | 0 | 0 | 109.7 | P3 | P3-F5 HydrophobicContact CG-CE2 4.3Å; P3-F5 WeakPolarHBondContact O-CD2 3.44Å; P3-F5 PolarHBondContact O-N 2.57Å | ||
| 6 | G | 82.1 | Confident | 79.5 | Confident | 25 Ų | 25 | 96 Ų | 96 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | trans | -79.6 | 136.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A4 F15 | A4-G6 PolarHBondContact O-N 3.27Å; G6-F15 CarbonylContact C-O 3.59Å; G6-F15 WeakPolarHBondContact CA-O 3.44Å | ||
| 7 | E | 90.1 | Very high | 80.2 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 150.9 | 171 | -70.5 | 166.6 | -120.3 | 0 | 0 | 110.2 | V14 F15 N17 | E7-V14 CarbonylContact O-C 3.33Å; E7-V14 WeakPolarHBondContact O-CA 3.12Å; E7-F15 HydrophobicContact CB-CD1 4.13Å; E7-F15 HydrophobicContact CB-CE1 3.51Å; E7-F15 HydrophobicContact CB-CE2 4.24Å; E7-F15 HydrophobicContact CB-CZ 3.57Å; E7-F15 HydrophobicContact CG-CZ 4.48Å; E7-F15 PolarHBondContact N-O 2.9Å; E7-F15 WeakPolarHBondContact O-CD1 3.45Å; E7-F15 PolarHBondContact O-N 3.48Å; E7-N17 WeakPolarHBondContact OE1-CB 3.39Å; E7-N17 PolarHBondContact OE1-ND2 3.28Å; E7-N17 PolarHBondContact OE2-ND2 2.97Å |
| 8 | V | 94.1 | Very high | 80.6 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.1 | 177 | -177.4 | 0 | 0 | 0 | 0 | 109 | V14 | V8-V14 HydrophobicContact CG2-CG2 4.44Å |
| 9 | N | 93.3 | Very high | 81.2 | Confident | 37 Ų | 37 | 100.1 Ų | 100.1 | 20% | 0.198 | 55% | 0.548 | C | S | . | . | trans | -81 | 171.5 | 178 | 70.1 | 38.6 | 0 | 0 | 0 | 112.3 | L11 G12 G13 F15 R47 | N9-L11 PolarHBondContact O-N 3.33Å; N9-L11 WeakPolarHBondContact OD1-CA 3.19Å; N9-L11 WeakPolarHBondContact OD1-CB 3.43Å; N9-L11 PolarHBondContact OD1-N 2.92Å; N9-G12 PolarHBondContact O-N 3.41Å; N9-G12 PolarHBondContact OD1-N 2.91Å; N9-G13 VanDerWaalsContact CG-O 3.22Å; N9-G13 PolarHBondContact N-O 2.98Å; N9-G13 PolarHBondContact ND2-O 2.95Å; N9-G13 PolarHBondContact OD1-N 3.41Å; N9-G13 VanDerWaalsContact OD1-N 3.1Å; N9-F15 HydrophobicContact CB-CD1 3.96Å; N9-F15 HydrophobicContact CB-CE1 3.88Å; N9-R47 PolarHBondContact ND2-O 3.5Å; N9-R47 PolarHBondContact OD1-O 3.17Å | ||
| 10 | Q | 94 | Very high | 81.9 | Confident | 204 Ų | 204 | 98.3 Ų | 98.3 | 95% | 0.953 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.1 | 179.8 | -67.4 | 174.9 | -15.8 | 0 | 0 | 115.1 | ||
| 11 | L | 92.5 | Very high | 82.5 | Confident | 68 Ų | 68 | 95 Ų | 95 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4.2 | 175.7 | -58.2 | 171.2 | 0 | 0 | 0 | 112.4 | N9 R47 V48 | N9-L11 PolarHBondContact O-N 3.33Å; N9-L11 WeakPolarHBondContact OD1-CA 3.19Å; N9-L11 WeakPolarHBondContact OD1-CB 3.43Å; N9-L11 PolarHBondContact OD1-N 2.92Å; L11-R47 HydrophobicContact CB-CB 4.1Å; L11-R47 WeakPolarHBondContact O-CB 3.42Å; L11-R47 VanDerWaalsContact O-CD 3.25Å; L11-R47 WeakPolarHBondContact O-CD 3.34Å; L11-R47 VanDerWaalsContact O-CG 3.29Å; L11-R47 WeakPolarHBondContact O-CG 3.21Å; L11-V48 WeakPolarHBondContact CD1-O 3.26Å |
| 12 | G | 91.9 | Very high | 85 | Confident | 31 Ų | 31 | 87.5 Ų | 87.5 | 32% | 0.32 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 75.1 | 24.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | N9 R47 | N9-G12 PolarHBondContact O-N 3.41Å; N9-G12 PolarHBondContact OD1-N 2.91Å; G12-R47 WeakPolarHBondContact O-CD 3.19Å; G12-R47 PolarHBondContact O-NH1 3.29Å |
| 13 | G | 93.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 8% | 0.082 | 48% | 0.476 | C | S | . | . | trans | -104.6 | 137.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N9 | N9-G13 VanDerWaalsContact CG-O 3.22Å; N9-G13 PolarHBondContact N-O 2.98Å; N9-G13 PolarHBondContact ND2-O 2.95Å; N9-G13 PolarHBondContact OD1-N 3.41Å; N9-G13 VanDerWaalsContact OD1-N 3.1Å | ||
| 14 | V | 94.1 | Very high | 89.8 | Confident | 104 Ų | 104 | 83 Ų | 83 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.3 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | E7 V8 | E7-V14 CarbonylContact O-C 3.33Å; E7-V14 WeakPolarHBondContact O-CA 3.12Å; V8-V14 HydrophobicContact CG2-CG2 4.44Å |
| 15 | F | 93.7 | Very high | 91.6 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 28% | 0.281 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 169.3 | 175.4 | 73.6 | -75.6 | 0 | 0 | 0 | 111.2 | G6 E7 N9 | G6-F15 CarbonylContact C-O 3.59Å; G6-F15 WeakPolarHBondContact CA-O 3.44Å; E7-F15 HydrophobicContact CB-CD1 4.13Å; E7-F15 HydrophobicContact CB-CE1 3.51Å; E7-F15 HydrophobicContact CB-CE2 4.24Å; E7-F15 HydrophobicContact CB-CZ 3.57Å; E7-F15 HydrophobicContact CG-CZ 4.48Å; E7-F15 PolarHBondContact N-O 2.9Å; E7-F15 WeakPolarHBondContact O-CD1 3.45Å; E7-F15 PolarHBondContact O-N 3.48Å; N9-F15 HydrophobicContact CB-CD1 3.96Å; N9-F15 HydrophobicContact CB-CE1 3.88Å |
| 16 | V | 93.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 74 Ų | 74 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -126.4 | 122.1 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | R19 | V16-R19 HydrophobicContact CB-CB 4.24Å; V16-R19 HydrophobicContact CB-CG 4.42Å; V16-R19 HydrophobicContact CG1-CB 4.32Å; V16-R19 HydrophobicContact CG1-CG 3.97Å; V16-R19 PolarHBondContact O-N 3.37Å | ||
| 17 | N | 90.6 | Very high | 93.8 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 142.7 | -178.4 | -104.8 | -43.1 | 0 | 0 | 0 | 112.3 | E7 R19 | E7-N17 WeakPolarHBondContact OE1-CB 3.39Å; E7-N17 PolarHBondContact OE1-ND2 3.28Å; E7-N17 PolarHBondContact OE2-ND2 2.97Å; N17-R19 PolarHBondContact O-N 2.99Å |
| 18 | G | 88.5 | Confident | 94.2 | Very high | 72 Ų | 72 | 76.6 Ų | 76.6 | 74% | 0.742 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -7.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 19 | R | 91.9 | Very high | 94.4 | Very high | 189 Ų | 189 | 71.8 Ų | 71.8 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -101.3 | 150.3 | 178.8 | -64.4 | -166 | -177.4 | -130 | -0.8 | 112.1 | V16 N17 | V16-R19 HydrophobicContact CB-CB 4.24Å; V16-R19 HydrophobicContact CB-CG 4.42Å; V16-R19 HydrophobicContact CG1-CB 4.32Å; V16-R19 HydrophobicContact CG1-CG 3.97Å; V16-R19 PolarHBondContact O-N 3.37Å; N17-R19 PolarHBondContact O-N 2.99Å |
| 20 | P | 94.4 | Very high | 94.6 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 41% | 0.409 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 147.1 | 173 | 29.9 | -33.7 | 0 | 0 | 0 | 111 | P68 I71 | P20-P68 HydrophobicContact CB-CB 3.59Å; P20-P68 HydrophobicContact CB-CG 4.01Å; P20-P68 HydrophobicContact CG-CB 4.11Å; P20-P68 HydrophobicContact CG-CG 4.12Å; P20-I71 HydrophobicContact CB-CD1 4.24Å; P20-I71 HydrophobicContact CG-CD1 4.29Å |
| 21 | L | 95.2 | Very high | 94.8 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 140.2 | 172.3 | -170.6 | 71.7 | 0 | 0 | 0 | 110.7 | I25 R26 I29 V48 I56 | L21-I25 HydrophobicContact CD1-CG2 4.48Å; L21-I25 HydrophobicContact CD2-CB 4.12Å; L21-I25 HydrophobicContact CD2-CG2 3.83Å; L21-I25 HydrophobicContact CG-CB 4.15Å; L21-I25 HydrophobicContact CG-CG2 4.26Å; L21-R26 HydrophobicContact CB-CG 4.05Å; L21-R26 HydrophobicContact CD2-CG 4.12Å; L21-R26 HydrophobicContact CG-CG 4.29Å; L21-R26 WeakPolarHBondContact O-CD 3.38Å; L21-I29 HydrophobicContact CD2-CD1 3.81Å; L21-V48 HydrophobicContact CD1-CG2 4.17Å; L21-V48 HydrophobicContact CD2-CG1 4.05Å; L21-V48 HydrophobicContact CD2-CG2 4.1Å; L21-I56 HydrophobicContact CD2-CD1 3.78Å |
| 22 | P | 95.1 | Very high | 95.1 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -57 | 138.8 | -178.5 | -27.3 | 35.8 | 0 | 0 | 0 | 113.4 | A24 I25 R26 | P22-A24 PolarHBondContact O-N 2.82Å; P22-A24 VanDerWaalsContact O-N 3.14Å; P22-I25 HydrophobicContact CB-CG1 4.47Å; P22-I25 PolarHBondContact O-N 3.26Å; P22-R26 PolarHBondContact O-N 3.05Å; P22-R26 VanDerWaalsContact O-N 3.11Å |
| 23 | N | 95.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.4 | -34.1 | -173.9 | -85.8 | 4.2 | 0 | 0 | 0 | 113.9 | I25 R26 L27 | N23-I25 VanDerWaalsContact C-N 3.33Å; N23-I25 PolarHBondContact O-N 2.7Å; N23-R26 PolarHBondContact O-N 3.35Å; N23-L27 WeakPolarHBondContact O-CG 3.04Å; N23-L27 PolarHBondContact O-N 3.13Å |
| 24 | A | 96.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 60% | 0.595 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P22 R28 | P22-A24 PolarHBondContact O-N 2.82Å; P22-A24 VanDerWaalsContact O-N 3.14Å; A24-R28 WeakPolarHBondContact O-CB 3.42Å; A24-R28 PolarHBondContact O-N 2.89Å |
| 25 | I | 96.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 30% | 0.297 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.6 | -34.5 | 176.2 | -48.2 | -56.5 | 0 | 0 | 0 | 110.6 | L21 P22 N23 R28 I29 L46 V48 | L21-I25 HydrophobicContact CD1-CG2 4.48Å; L21-I25 HydrophobicContact CD2-CB 4.12Å; L21-I25 HydrophobicContact CD2-CG2 3.83Å; L21-I25 HydrophobicContact CG-CB 4.15Å; L21-I25 HydrophobicContact CG-CG2 4.26Å; P22-I25 HydrophobicContact CB-CG1 4.47Å; P22-I25 PolarHBondContact O-N 3.26Å; N23-I25 VanDerWaalsContact C-N 3.33Å; N23-I25 PolarHBondContact O-N 2.7Å; I25-R28 PolarHBondContact O-N 3.22Å; I25-I29 HydrophobicContact CG2-CD1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.02Å; I25-L46 HydrophobicContact CG2-CB 4.41Å; I25-L46 HydrophobicContact CG2-CD1 4.2Å; I25-V48 HydrophobicContact CG2-CG2 3.76Å |
| 26 | R | 98.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.7 | -62 | 177.4 | 58.6 | 75.5 | 12.6 | 112.3 | L21 P22 N23 I56 I66 L67 | L21-R26 HydrophobicContact CB-CG 4.05Å; L21-R26 HydrophobicContact CD2-CG 4.12Å; L21-R26 HydrophobicContact CG-CG 4.29Å; L21-R26 WeakPolarHBondContact O-CD 3.38Å; P22-R26 PolarHBondContact O-N 3.05Å; P22-R26 VanDerWaalsContact O-N 3.11Å; N23-R26 PolarHBondContact O-N 3.35Å; R26-I56 HydrophobicContact CG-CD1 4.06Å; R26-I66 PolarHBondContact NE-O 2.91Å; R26-I66 PolarHBondContact NH2-O 3.31Å; R26-L67 PolarHBondContact NH2-O 3.19Å; R26-L67 VanDerWaalsContact NH2-O 3.17Å |
| 27 | L | 97.7 | Very high | 96.1 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 40% | 0.403 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63 | -52.1 | 169.8 | -75.5 | 163.2 | 0 | 0 | 0 | 110.6 | N23 I29 V30 E31 I66 | N23-L27 WeakPolarHBondContact O-CG 3.04Å; N23-L27 PolarHBondContact O-N 3.13Å; L27-I29 VanDerWaalsContact C-N 3.26Å; L27-I29 PolarHBondContact O-N 3.23Å; L27-V30 WeakPolarHBondContact O-CA 3.42Å; L27-V30 WeakPolarHBondContact O-CB 3.31Å; L27-V30 PolarHBondContact O-N 2.97Å; L27-E31 PolarHBondContact O-N 3.04Å; L27-I66 HydrophobicContact CD2-CB 4.45Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 3.85Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.16Å; L27-I66 HydrophobicContact CG-CG1 4.33Å |
| 28 | R | 97.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 70.9 Ų | 70.9 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | -177.3 | -168.1 | 56.4 | 174.5 | 177 | 2.3 | 113.7 | A24 I25 V30 E31 L32 L46 | A24-R28 WeakPolarHBondContact O-CB 3.42Å; A24-R28 PolarHBondContact O-N 2.89Å; I25-R28 PolarHBondContact O-N 3.22Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 PolarHBondContact O-N 3.19Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact CZ-OE2 3.62Å; R28-E31 IonicContact NE-OE2 2.71Å; R28-E31 IonicContact NH1-OE2 2.71Å; R28-E31 PolarHBondContact NH1-OE2 3.44Å; R28-L32 HydrophobicContact CG-CD1 3.99Å; R28-L32 HydrophobicContact CG-CG 4.32Å; R28-L32 WeakPolarHBondContact O-CB 3.36Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 3.35Å; R28-L32 VanDerWaalsContact O-N 3.09Å; R28-L46 HydrophobicContact CB-CD1 4.23Å; R28-L46 HydrophobicContact CG-CD1 4.12Å; R28-L46 HydrophobicContact CG-CD2 3.79Å |
| 29 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 171.6 | -76.4 | 165.9 | 0 | 0 | 0 | 111.6 | L21 I25 L27 A33 I42 L46 V48 V53 I56 L57 | L21-I29 HydrophobicContact CD2-CD1 3.81Å; I25-I29 HydrophobicContact CG2-CD1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.3Å; I25-I29 WeakPolarHBondContact O-CG1 3.46Å; I25-I29 PolarHBondContact O-N 3.02Å; L27-I29 VanDerWaalsContact C-N 3.26Å; L27-I29 PolarHBondContact O-N 3.23Å; I29-A33 PolarHBondContact O-N 2.95Å; I29-I42 HydrophobicContact CB-CG2 4.43Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; I29-L46 HydrophobicContact CB-CD1 4.46Å; I29-L46 HydrophobicContact CG1-CD1 3.51Å; I29-V48 HydrophobicContact CD1-CG1 4.26Å; I29-V53 HydrophobicContact CD1-CG2 4.21Å; I29-V53 HydrophobicContact CG1-CG2 4.47Å; I29-V53 HydrophobicContact CG2-CG1 4Å; I29-I56 HydrophobicContact CB-CG2 4.31Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.17Å; I29-I56 HydrophobicContact CG2-CG2 3.75Å; I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å |
| 30 | V | 97.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.6 | -44.6 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L27 R28 L32 A33 Q34 I56 L57 Y60 I66 | L27-V30 WeakPolarHBondContact O-CA 3.42Å; L27-V30 WeakPolarHBondContact O-CB 3.31Å; L27-V30 PolarHBondContact O-N 2.97Å; R28-V30 VanDerWaalsContact C-N 3.33Å; R28-V30 PolarHBondContact O-N 3.19Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.16Å; V30-A33 PolarHBondContact O-N 3.26Å; V30-A33 VanDerWaalsContact O-N 3.16Å; V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CG 3.16Å; V30-Q34 PolarHBondContact O-N 3.02Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; V30-L57 HydrophobicContact CG2-CD2 4.25Å; V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.53Å; V30-Y60 HydrophobicContact CG1-CE2 3.81Å; V30-Y60 HydrophobicContact CG1-CG 3.96Å; V30-Y60 HydrophobicContact CG2-CD1 4.24Å; V30-Y60 HydrophobicContact CG2-CD2 3.95Å; V30-Y60 HydrophobicContact CG2-CG 3.78Å; V30-I66 HydrophobicContact CG2-CG2 4.05Å |
| 31 | E | 98 | Very high | 97.4 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.8 | -49 | 176 | -68.6 | 165.4 | -154 | 0 | 0 | 112 | L27 R28 A33 Q34 L35 | L27-E31 PolarHBondContact O-N 3.04Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact CZ-OE2 3.62Å; R28-E31 IonicContact NE-OE2 2.71Å; R28-E31 IonicContact NH1-OE2 2.71Å; R28-E31 PolarHBondContact NH1-OE2 3.44Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.16Å; E31-Q34 PolarHBondContact O-N 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 3.27Å |
| 32 | L | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | -179.1 | -65 | 166.8 | 0 | 0 | 0 | 111.9 | R28 V30 L35 I37 I42 Q45 L46 | R28-L32 HydrophobicContact CG-CD1 3.99Å; R28-L32 HydrophobicContact CG-CG 4.32Å; R28-L32 WeakPolarHBondContact O-CB 3.36Å; R28-L32 WeakPolarHBondContact O-CD1 3.46Å; R28-L32 WeakPolarHBondContact O-CG 3.28Å; R28-L32 PolarHBondContact O-N 3.35Å; R28-L32 VanDerWaalsContact O-N 3.09Å; V30-L32 VanDerWaalsContact C-N 3.35Å; V30-L32 PolarHBondContact O-N 3.16Å; L32-L35 PolarHBondContact O-N 3.31Å; L32-I37 HydrophobicContact CB-CB 4.44Å; L32-I37 HydrophobicContact CB-CD1 4.12Å; L32-I37 HydrophobicContact CD2-CD1 3.59Å; L32-I37 HydrophobicContact CG-CD1 4.44Å; L32-I37 VanDerWaalsContact O-CB 3.23Å; L32-I37 WeakPolarHBondContact O-CB 3.27Å; L32-I37 WeakPolarHBondContact O-CG1 3.41Å; L32-I37 PolarHBondContact O-N 3.3Å; L32-I42 HydrophobicContact CB-CD1 3.75Å; L32-I42 HydrophobicContact CB-CG1 3.74Å; L32-I42 HydrophobicContact CD1-CG1 4.36Å; L32-I42 HydrophobicContact CD1-CG2 4.14Å; L32-Q45 VanDerWaalsContact CD1-OE1 3.3Å; L32-L46 HydrophobicContact CD1-CD1 3.88Å; L32-L46 HydrophobicContact CD1-CD2 4.13Å; L32-L46 HydrophobicContact CD1-CG 4Å |
| 33 | A | 97.8 | Very high | 97.6 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I29 V30 E31 L35 G36 I42 L57 | I29-A33 PolarHBondContact O-N 2.95Å; V30-A33 PolarHBondContact O-N 3.26Å; V30-A33 VanDerWaalsContact O-N 3.16Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 3.16Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.99Å; A33-G36 PolarHBondContact O-N 3.22Å; A33-I42 HydrophobicContact CB-CD1 3.89Å; A33-L57 HydrophobicContact CB-CD1 4.02Å; A33-L57 HydrophobicContact CB-CD2 3.52Å; A33-L57 HydrophobicContact CB-CG 4.44Å |
| 34 | Q | 97.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 61 Ų | 61 | 58% | 0.584 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 172.4 | -72.6 | 171.8 | -21.7 | 0 | 0 | 112.2 | V30 E31 G36 Y60 | V30-Q34 HydrophobicContact CG1-CG 4.3Å; V30-Q34 WeakPolarHBondContact O-CG 3.16Å; V30-Q34 PolarHBondContact O-N 3.02Å; E31-Q34 PolarHBondContact O-N 3.29Å; Q34-G36 PolarHBondContact O-N 2.91Å; Q34-Y60 PolarHBondContact NE2-OH 2.91Å; Q34-Y60 VanDerWaalsContact NE2-OH 3.09Å |
| 35 | L | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 63.1 Ų | 63.1 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 8.8 | 168.9 | -65.5 | 170.3 | 0 | 0 | 0 | 113.6 | E31 L32 A33 I37 | E31-L35 WeakPolarHBondContact O-CG 3.45Å; E31-L35 PolarHBondContact O-N 3.27Å; L32-L35 PolarHBondContact O-N 3.31Å; A33-L35 VanDerWaalsContact C-N 3.28Å; A33-L35 PolarHBondContact O-N 2.99Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 HydrophobicContact CB-CD1 4.36Å; L35-I37 HydrophobicContact CB-CG1 4.37Å; L35-I37 PolarHBondContact O-N 2.87Å |
| 36 | G | 96.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 66% | 0.66 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 7.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A33 Q34 | A33-G36 PolarHBondContact O-N 3.22Å; Q34-G36 PolarHBondContact O-N 2.91Å |
| 37 | I | 98.2 | Very high | 97.8 | Very high | 59 Ų | 59 | 68 Ų | 68 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | trans | -74 | 134.7 | -177.8 | -55.4 | 171.1 | 0 | 0 | 0 | 109.6 | L32 L35 D41 I42 | L32-I37 HydrophobicContact CB-CB 4.44Å; L32-I37 HydrophobicContact CB-CD1 4.12Å; L32-I37 HydrophobicContact CD2-CD1 3.59Å; L32-I37 HydrophobicContact CG-CD1 4.44Å; L32-I37 VanDerWaalsContact O-CB 3.23Å; L32-I37 WeakPolarHBondContact O-CB 3.27Å; L32-I37 WeakPolarHBondContact O-CG1 3.41Å; L32-I37 PolarHBondContact O-N 3.3Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 HydrophobicContact CB-CD1 4.36Å; L35-I37 HydrophobicContact CB-CG1 4.37Å; L35-I37 PolarHBondContact O-N 2.87Å; I37-D41 HydrophobicContact CG2-CB 4.29Å; I37-I42 HydrophobicContact CB-CD1 4.45Å; I37-I42 HydrophobicContact CB-CG1 4.16Å; I37-I42 HydrophobicContact CG2-CG1 3.88Å; I37-I42 WeakPolarHBondContact O-CD1 3.36Å | ||
| 38 | R | 98.1 | Very high | 97.7 | Very high | 170 Ų | 170 | 64.8 Ų | 64.8 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | trans | -65.6 | 139.4 | -175.1 | -58.8 | 172.7 | 66.9 | -174.9 | 1.3 | 111.2 | C40 D41 I42 | R38-C40 PolarHBondContact O-N 2.89Å; R38-C40 VanDerWaalsContact O-N 3.07Å; R38-D41 PolarHBondContact O-N 3.37Å; R38-I42 PolarHBondContact O-N 2.86Å; R38-I42 VanDerWaalsContact O-N 3.08Å | ||
| 39 | P | 97.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.6 | -29.6 | -179.6 | -29.6 | 36.3 | 0 | 0 | 0 | 115.4 | D41 S43 V53 L57 | P39-D41 VanDerWaalsContact C-N 3.29Å; P39-D41 PolarHBondContact O-N 3.01Å; P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.15Å; P39-S43 PolarHBondContact O-N 3.47Å; P39-V53 HydrophobicContact CB-CG1 4.16Å; P39-L57 HydrophobicContact CB-CD1 4.28Å; P39-L57 HydrophobicContact CG-CD1 3.95Å |
| 40 | C | 97.8 | Very high | 97.7 | Very high | 31 Ų | 31 | 68 Ų | 68 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -28.7 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | R38 R44 | R38-C40 PolarHBondContact O-N 2.89Å; R38-C40 VanDerWaalsContact O-N 3.07Å; C40-R44 PolarHBondContact O-N 3.19Å; C40-R44 PolarHBondContact O-NE 3.18Å |
| 41 | D | 97.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 70 Ų | 70 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -95.2 | -33.1 | -175.6 | -55 | -37.5 | 0 | 0 | 0 | 110.5 | I37 R38 P39 S43 R44 Q45 | I37-D41 HydrophobicContact CG2-CB 4.29Å; R38-D41 PolarHBondContact O-N 3.37Å; P39-D41 VanDerWaalsContact C-N 3.29Å; P39-D41 PolarHBondContact O-N 3.01Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 2.75Å; D41-R44 PolarHBondContact O-N 2.72Å; D41-R44 IonicContact OD1-CZ 3.4Å; D41-R44 IonicContact OD1-NE 3.24Å; D41-R44 PolarHBondContact OD1-NE 3.28Å; D41-R44 IonicContact OD1-NH2 3.75Å; D41-R44 PolarHBondContact OD1-NH2 2.93Å; D41-Q45 VanDerWaalsContact O-CB 3.29Å; D41-Q45 WeakPolarHBondContact O-CB 3.47Å; D41-Q45 PolarHBondContact O-N 3.46Å |
| 42 | I | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.7 | -45.8 | 161.3 | -60.5 | 176.9 | 0 | 0 | 0 | 110.8 | I29 L32 A33 I37 R38 R44 Q45 L46 V53 | I29-I42 HydrophobicContact CB-CG2 4.43Å; I29-I42 HydrophobicContact CG1-CG2 4.04Å; L32-I42 HydrophobicContact CB-CD1 3.75Å; L32-I42 HydrophobicContact CB-CG1 3.74Å; L32-I42 HydrophobicContact CD1-CG1 4.36Å; L32-I42 HydrophobicContact CD1-CG2 4.14Å; A33-I42 HydrophobicContact CB-CD1 3.89Å; I37-I42 HydrophobicContact CB-CD1 4.45Å; I37-I42 HydrophobicContact CB-CG1 4.16Å; I37-I42 HydrophobicContact CG2-CG1 3.88Å; I37-I42 WeakPolarHBondContact O-CD1 3.36Å; R38-I42 PolarHBondContact O-N 2.86Å; R38-I42 VanDerWaalsContact O-N 3.08Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 3.25Å; I42-Q45 PolarHBondContact O-N 3.28Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 PolarHBondContact O-N 3.39Å; I42-V53 HydrophobicContact CB-CG1 4.3Å; I42-V53 HydrophobicContact CG2-CG1 3.98Å; I42-V53 HydrophobicContact CG2-CG2 4.43Å |
| 43 | S | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 68 Ų | 68 | 5% | 0.049 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | P39 D41 R47 V48 H50 | P39-S43 VanDerWaalsContact O-CB 3.27Å; P39-S43 WeakPolarHBondContact O-CB 3.15Å; P39-S43 PolarHBondContact O-N 3.47Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 2.75Å; S43-R47 CarbonylContact O-C 3.55Å; S43-R47 WeakPolarHBondContact O-CA 3.44Å; S43-R47 PolarHBondContact O-N 3.15Å; S43-R47 VanDerWaalsContact O-N 3.11Å; S43-V48 CarbonylContact C-O 3.57Å; S43-V48 VanDerWaalsContact CA-O 3.3Å; S43-V48 WeakPolarHBondContact CA-O 3.29Å; S43-V48 WeakPolarHBondContact CB-O 3.3Å; S43-V48 PolarHBondContact O-N 3Å; S43-V48 VanDerWaalsContact O-O 3.13Å; S43-V48 PolarHBondContact OG-O 2.95Å; S43-H50 PolarHBondContact OG-N 3.29Å |
| 44 | R | 97.4 | Very high | 97.6 | Very high | 152 Ų | 152 | 69.5 Ų | 69.5 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69 | -49.1 | 176 | -76.8 | 178.5 | -90.5 | -101.3 | 6 | 112.6 | C40 D41 I42 L46 R47 | C40-R44 PolarHBondContact O-N 3.19Å; C40-R44 PolarHBondContact O-NE 3.18Å; D41-R44 PolarHBondContact O-N 2.72Å; D41-R44 IonicContact OD1-CZ 3.4Å; D41-R44 IonicContact OD1-NE 3.24Å; D41-R44 PolarHBondContact OD1-NE 3.28Å; D41-R44 IonicContact OD1-NH2 3.75Å; D41-R44 PolarHBondContact OD1-NH2 2.93Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 3.25Å; R44-L46 PolarHBondContact O-N 3.36Å; R44-R47 PolarHBondContact O-N 3.47Å |
| 45 | Q | 97.3 | Very high | 97.6 | Very high | 116 Ų | 116 | 70.6 Ų | 70.6 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | -176.3 | -173.4 | -179.6 | 32 | 0 | 0 | 112.5 | L32 D41 I42 | L32-Q45 VanDerWaalsContact CD1-OE1 3.3Å; D41-Q45 VanDerWaalsContact O-CB 3.29Å; D41-Q45 WeakPolarHBondContact O-CB 3.47Å; D41-Q45 PolarHBondContact O-N 3.46Å; I42-Q45 PolarHBondContact O-N 3.28Å |
| 46 | L | 97.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.204 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.8 | 179.4 | -58.2 | -178.3 | 0 | 0 | 0 | 113.3 | I25 R28 I29 L32 I42 R44 V48 | I25-L46 HydrophobicContact CG2-CB 4.41Å; I25-L46 HydrophobicContact CG2-CD1 4.2Å; R28-L46 HydrophobicContact CB-CD1 4.23Å; R28-L46 HydrophobicContact CG-CD1 4.12Å; R28-L46 HydrophobicContact CG-CD2 3.79Å; I29-L46 HydrophobicContact CB-CD1 4.46Å; I29-L46 HydrophobicContact CG1-CD1 3.51Å; L32-L46 HydrophobicContact CD1-CD1 3.88Å; L32-L46 HydrophobicContact CD1-CD2 4.13Å; L32-L46 HydrophobicContact CD1-CG 4Å; I42-L46 HydrophobicContact CG2-CD1 3.9Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.41Å; I42-L46 PolarHBondContact O-N 3.39Å; R44-L46 PolarHBondContact O-N 3.36Å; L46-V48 HydrophobicContact CB-CG2 4.08Å; L46-V48 PolarHBondContact O-N 3.48Å |
| 47 | R | 97.4 | Very high | 97.6 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.6 | -174.9 | -51.5 | -177.8 | 178.9 | -169.8 | -1.6 | 113.1 | N9 L11 G12 S43 R44 | N9-R47 PolarHBondContact ND2-O 3.5Å; N9-R47 PolarHBondContact OD1-O 3.17Å; L11-R47 HydrophobicContact CB-CB 4.1Å; L11-R47 WeakPolarHBondContact O-CB 3.42Å; L11-R47 VanDerWaalsContact O-CD 3.25Å; L11-R47 WeakPolarHBondContact O-CD 3.34Å; L11-R47 VanDerWaalsContact O-CG 3.29Å; L11-R47 WeakPolarHBondContact O-CG 3.21Å; G12-R47 WeakPolarHBondContact O-CD 3.19Å; G12-R47 PolarHBondContact O-NH1 3.29Å; S43-R47 CarbonylContact O-C 3.55Å; S43-R47 WeakPolarHBondContact O-CA 3.44Å; S43-R47 PolarHBondContact O-N 3.15Å; S43-R47 VanDerWaalsContact O-N 3.11Å; R44-R47 PolarHBondContact O-N 3.47Å |
| 48 | V | 97.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | trans | -107.7 | 135.7 | 179.4 | 175 | 0 | 0 | 0 | 0 | 108.8 | L11 L21 I25 I29 S43 L46 H50 C52 V53 | L11-V48 WeakPolarHBondContact CD1-O 3.26Å; L21-V48 HydrophobicContact CD1-CG2 4.17Å; L21-V48 HydrophobicContact CD2-CG1 4.05Å; L21-V48 HydrophobicContact CD2-CG2 4.1Å; I25-V48 HydrophobicContact CG2-CG2 3.76Å; I29-V48 HydrophobicContact CD1-CG1 4.26Å; S43-V48 CarbonylContact C-O 3.57Å; S43-V48 VanDerWaalsContact CA-O 3.3Å; S43-V48 WeakPolarHBondContact CA-O 3.29Å; S43-V48 WeakPolarHBondContact CB-O 3.3Å; S43-V48 PolarHBondContact O-N 3Å; S43-V48 VanDerWaalsContact O-O 3.13Å; S43-V48 PolarHBondContact OG-O 2.95Å; L46-V48 HydrophobicContact CB-CG2 4.08Å; L46-V48 PolarHBondContact O-N 3.48Å; V48-H50 PolarHBondContact O-N 3.46Å; V48-C52 HydrophobicContact CG1-CB 3.72Å; V48-V53 HydrophobicContact CB-CG2 4.12Å; V48-V53 HydrophobicContact CG1-CG2 3.9Å | ||
| 49 | S | 97.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | trans | -58.8 | 139.5 | -178.6 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | G51 C52 V53 | S49-G51 VanDerWaalsContact C-N 3.26Å; S49-G51 PolarHBondContact O-N 3.01Å; S49-C52 WeakPolarHBondContact O-CA 3.31Å; S49-C52 VanDerWaalsContact O-CB 3.29Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.35Å; S49-C52 WeakPolarHBondContact OG-CB 3.49Å; S49-V53 PolarHBondContact O-N 3.14Å; S49-V53 VanDerWaalsContact O-N 3.13Å | ||
| 50 | H | 98 | Very high | 97.5 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.7 | -39 | -173.2 | -177.6 | -113.9 | 0 | 0 | 0 | 113.2 | S43 V48 C52 V53 S54 | S43-H50 PolarHBondContact OG-N 3.29Å; V48-H50 PolarHBondContact O-N 3.46Å; H50-C52 VanDerWaalsContact C-N 3.27Å; H50-C52 PolarHBondContact O-N 2.98Å; H50-V53 PolarHBondContact O-N 3.21Å; H50-S54 WeakPolarHBondContact O-CB 3.12Å; H50-S54 PolarHBondContact O-N 3.44Å |
| 51 | G | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.8 | -23.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | S49 K55 | S49-G51 VanDerWaalsContact C-N 3.26Å; S49-G51 PolarHBondContact O-N 3.01Å; G51-K55 WeakPolarHBondContact O-CB 3.38Å; G51-K55 PolarHBondContact O-N 2.89Å |
| 52 | C | 96.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.1 | -44.2 | 171.6 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | V48 S49 H50 K55 I56 | V48-C52 HydrophobicContact CG1-CB 3.72Å; S49-C52 WeakPolarHBondContact O-CA 3.31Å; S49-C52 VanDerWaalsContact O-CB 3.29Å; S49-C52 WeakPolarHBondContact O-CB 3.32Å; S49-C52 PolarHBondContact O-N 3.35Å; S49-C52 WeakPolarHBondContact OG-CB 3.49Å; H50-C52 VanDerWaalsContact C-N 3.27Å; H50-C52 PolarHBondContact O-N 2.98Å; C52-K55 PolarHBondContact O-N 3.04Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.32Å; C52-I56 PolarHBondContact O-N 2.73Å |
| 53 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.6 | -53.3 | 173.7 | 178 | 0 | 0 | 0 | 0 | 110.7 | I29 P39 I42 V48 S49 H50 K55 I56 L57 | I29-V53 HydrophobicContact CD1-CG2 4.21Å; I29-V53 HydrophobicContact CG1-CG2 4.47Å; I29-V53 HydrophobicContact CG2-CG1 4Å; P39-V53 HydrophobicContact CB-CG1 4.16Å; I42-V53 HydrophobicContact CB-CG1 4.3Å; I42-V53 HydrophobicContact CG2-CG1 3.98Å; I42-V53 HydrophobicContact CG2-CG2 4.43Å; V48-V53 HydrophobicContact CB-CG2 4.12Å; V48-V53 HydrophobicContact CG1-CG2 3.9Å; S49-V53 PolarHBondContact O-N 3.14Å; S49-V53 VanDerWaalsContact O-N 3.13Å; H50-V53 PolarHBondContact O-N 3.21Å; V53-K55 PolarHBondContact O-N 3.25Å; V53-I56 PolarHBondContact O-N 3.26Å; V53-I56 VanDerWaalsContact O-N 3.1Å; V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.91Å |
| 54 | S | 97.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | H50 I56 L57 A58 | H50-S54 WeakPolarHBondContact O-CB 3.12Å; H50-S54 PolarHBondContact O-N 3.44Å; S54-I56 VanDerWaalsContact C-N 3.25Å; S54-I56 PolarHBondContact O-N 3.1Å; S54-L57 PolarHBondContact O-N 3.49Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 2.82Å |
| 55 | K | 97.3 | Very high | 96.7 | Very high | 148 Ų | 148 | 68 Ų | 68 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.8 | -22.9 | 178.6 | -172.6 | 175.4 | -63 | -177.1 | 0 | 114 | G51 C52 V53 | G51-K55 WeakPolarHBondContact O-CB 3.38Å; G51-K55 PolarHBondContact O-N 2.89Å; C52-K55 PolarHBondContact O-N 3.04Å; V53-K55 PolarHBondContact O-N 3.25Å |
| 56 | I | 97.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.9 | -47.3 | 173.7 | -72 | 165.9 | 0 | 0 | 0 | 110.3 | L21 R26 I29 V30 C52 V53 S54 R59 Y60 | L21-I56 HydrophobicContact CD2-CD1 3.78Å; R26-I56 HydrophobicContact CG-CD1 4.06Å; I29-I56 HydrophobicContact CB-CG2 4.31Å; I29-I56 HydrophobicContact CD1-CD1 3.56Å; I29-I56 HydrophobicContact CG2-CB 4.17Å; I29-I56 HydrophobicContact CG2-CG2 3.75Å; V30-I56 HydrophobicContact CG2-CG2 4.32Å; C52-I56 VanDerWaalsContact O-CG1 3.31Å; C52-I56 WeakPolarHBondContact O-CG1 3.32Å; C52-I56 PolarHBondContact O-N 2.73Å; V53-I56 PolarHBondContact O-N 3.26Å; V53-I56 VanDerWaalsContact O-N 3.1Å; S54-I56 VanDerWaalsContact C-N 3.25Å; S54-I56 PolarHBondContact O-N 3.1Å; I56-R59 PolarHBondContact O-N 2.88Å; I56-Y60 WeakPolarHBondContact O-CB 3.5Å; I56-Y60 PolarHBondContact O-N 2.89Å |
| 57 | L | 97.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.4 | -64.1 | 176.8 | 0 | 0 | 0 | 112.2 | I29 V30 A33 P39 V53 S54 Y60 N61 | I29-L57 HydrophobicContact CG2-CD2 3.81Å; I29-L57 HydrophobicContact CG2-CG 3.95Å; V30-L57 HydrophobicContact CG2-CD2 4.25Å; A33-L57 HydrophobicContact CB-CD1 4.02Å; A33-L57 HydrophobicContact CB-CD2 3.52Å; A33-L57 HydrophobicContact CB-CG 4.44Å; P39-L57 HydrophobicContact CB-CD1 4.28Å; P39-L57 HydrophobicContact CG-CD1 3.95Å; V53-L57 HydrophobicContact CG1-CD1 4.01Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.91Å; S54-L57 PolarHBondContact O-N 3.49Å; L57-Y60 PolarHBondContact O-N 3.34Å; L57-N61 PolarHBondContact O-N 3.15Å; L57-N61 PolarHBondContact O-OD1 2.88Å |
| 58 | A | 97 | Very high | 96 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.8 | -54.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S54 Y60 N61 E62 | S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 2.82Å; A58-Y60 VanDerWaalsContact C-N 3.28Å; A58-Y60 PolarHBondContact O-N 2.99Å; A58-N61 PolarHBondContact O-N 3.44Å; A58-N61 VanDerWaalsContact O-N 3.14Å; A58-E62 WeakPolarHBondContact O-CB 3.37Å; A58-E62 VanDerWaalsContact O-CG 3.25Å; A58-E62 WeakPolarHBondContact O-CG 3.24Å; A58-E62 PolarHBondContact O-N 3.28Å |
| 59 | R | 96.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 175.8 | 178.9 | -179.7 | -59.2 | 149.9 | 9.5 | 112.3 | I56 N61 E62 T63 L67 | I56-R59 PolarHBondContact O-N 2.88Å; R59-N61 VanDerWaalsContact C-N 3.33Å; R59-E62 PolarHBondContact O-N 3.14Å; R59-T63 WeakPolarHBondContact CG-OG1 3.43Å; R59-T63 WeakPolarHBondContact O-CB 3.5Å; R59-T63 PolarHBondContact O-N 2.92Å; R59-T63 PolarHBondContact O-OG1 3.27Å; R59-L67 PolarHBondContact NH1-O 3.05Å |
| 60 | Y | 97 | Very high | 95 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 26% | 0.263 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 179.8 | -176.7 | -99.6 | 0 | 0 | 0 | 111.1 | V30 Q34 I56 L57 A58 G64 I66 | V30-Y60 HydrophobicContact CG1-CD1 3.74Å; V30-Y60 HydrophobicContact CG1-CD2 3.99Å; V30-Y60 HydrophobicContact CG1-CE1 3.53Å; V30-Y60 HydrophobicContact CG1-CE2 3.81Å; V30-Y60 HydrophobicContact CG1-CG 3.96Å; V30-Y60 HydrophobicContact CG2-CD1 4.24Å; V30-Y60 HydrophobicContact CG2-CD2 3.95Å; V30-Y60 HydrophobicContact CG2-CG 3.78Å; Q34-Y60 PolarHBondContact NE2-OH 2.91Å; Q34-Y60 VanDerWaalsContact NE2-OH 3.09Å; I56-Y60 WeakPolarHBondContact O-CB 3.5Å; I56-Y60 PolarHBondContact O-N 2.89Å; L57-Y60 PolarHBondContact O-N 3.34Å; A58-Y60 VanDerWaalsContact C-N 3.28Å; A58-Y60 PolarHBondContact O-N 2.99Å; Y60-G64 WeakPolarHBondContact CD2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.49Å; Y60-G64 WeakPolarHBondContact O-CA 3.25Å; Y60-G64 PolarHBondContact O-N 2.9Å; Y60-I66 HydrophobicContact CD2-CG2 3.8Å; Y60-I66 HydrophobicContact CE2-CG2 4.07Å |
| 61 | N | 96.2 | Very high | 94 | Very high | 134 Ų | 134 | 66.8 Ų | 66.8 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.3 | -32.9 | 175.7 | -63.2 | -8.5 | 0 | 0 | 0 | 112.6 | L57 A58 R59 | L57-N61 PolarHBondContact O-N 3.15Å; L57-N61 PolarHBondContact O-OD1 2.88Å; A58-N61 PolarHBondContact O-N 3.44Å; A58-N61 VanDerWaalsContact O-N 3.14Å; R59-N61 VanDerWaalsContact C-N 3.33Å |
| 62 | E | 95.1 | Very high | 92.9 | Very high | 148 Ų | 148 | 67.8 Ų | 67.8 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -74.7 | -32.8 | 177.3 | -71.1 | 160 | -166.9 | 0 | 0 | 113.9 | A58 R59 | A58-E62 WeakPolarHBondContact O-CB 3.37Å; A58-E62 VanDerWaalsContact O-CG 3.25Å; A58-E62 WeakPolarHBondContact O-CG 3.24Å; A58-E62 PolarHBondContact O-N 3.28Å; R59-E62 PolarHBondContact O-N 3.14Å |
| 63 | T | 94.9 | Very high | 92 | Very high | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -139.9 | -6.6 | -163.5 | 67.7 | 0 | 0 | 0 | 0 | 115.7 | R59 S65 | R59-T63 WeakPolarHBondContact CG-OG1 3.43Å; R59-T63 WeakPolarHBondContact O-CB 3.5Å; R59-T63 PolarHBondContact O-N 2.92Å; R59-T63 PolarHBondContact O-OG1 3.27Å; T63-S65 PolarHBondContact O-N 3.34Å; T63-S65 WeakPolarHBondContact OG1-CB 3.33Å; T63-S65 PolarHBondContact OG1-N 2.94Å |
| 64 | G | 94.2 | Very high | 91 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 49% | 0.485 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 65.2 | -3.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y60 | Y60-G64 WeakPolarHBondContact CD2-O 3.27Å; Y60-G64 WeakPolarHBondContact CE2-O 3.49Å; Y60-G64 WeakPolarHBondContact O-CA 3.25Å; Y60-G64 PolarHBondContact O-N 2.9Å |
| 65 | S | 92.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 81.2 Ų | 81.2 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | trans | -94.6 | 114.5 | -168 | -171 | 0 | 0 | 0 | 0 | 113.1 | T63 L67 | T63-S65 PolarHBondContact O-N 3.34Å; T63-S65 WeakPolarHBondContact OG1-CB 3.33Å; T63-S65 PolarHBondContact OG1-N 2.94Å; S65-L67 PolarHBondContact O-N 2.79Å; S65-L67 PolarHBondContact OG-N 2.71Å | ||
| 66 | I | 93.1 | Very high | 88.3 | Confident | 32 Ų | 32 | 78.7 Ų | 78.7 | 16% | 0.164 | 50% | 0.495 | C | S | . | . | trans | -71.8 | -10.3 | 170.1 | 65.5 | 86.6 | 0 | 0 | 0 | 112.9 | R26 L27 V30 Y60 | R26-I66 PolarHBondContact NE-O 2.91Å; R26-I66 PolarHBondContact NH2-O 3.31Å; L27-I66 HydrophobicContact CD2-CB 4.45Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 3.85Å; L27-I66 HydrophobicContact CD2-CG2 4.27Å; L27-I66 HydrophobicContact CG-CD1 4.16Å; L27-I66 HydrophobicContact CG-CG1 4.33Å; V30-I66 HydrophobicContact CG2-CG2 4.05Å; Y60-I66 HydrophobicContact CD2-CG2 3.8Å; Y60-I66 HydrophobicContact CE2-CG2 4.07Å | ||
| 67 | L | 93.2 | Very high | 86.9 | Confident | 91 Ų | 91 | 90.1 Ų | 90.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -71.3 | 151.3 | -174 | -66 | 174.9 | 0 | 0 | 0 | 112.7 | R26 R59 S65 | R26-L67 PolarHBondContact NH2-O 3.19Å; R26-L67 VanDerWaalsContact NH2-O 3.17Å; R59-L67 PolarHBondContact NH1-O 3.05Å; S65-L67 PolarHBondContact O-N 2.79Å; S65-L67 PolarHBondContact OG-N 2.71Å |
| 68 | P | 91.1 | Very high | 85.6 | Confident | 44 Ų | 44 | 92 Ų | 92 | 29% | 0.286 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 139.1 | 161.2 | 29.4 | -33.2 | 0 | 0 | 0 | 109.5 | P20 | P20-P68 HydrophobicContact CB-CB 3.59Å; P20-P68 HydrophobicContact CB-CG 4.01Å; P20-P68 HydrophobicContact CG-CB 4.11Å; P20-P68 HydrophobicContact CG-CG 4.12Å |
| 69 | G | 87.3 | Confident | 84.7 | Confident | 43 Ų | 43 | 92.2 Ų | 92.2 | 44% | 0.443 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 160.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I71 | G69-I71 PolarHBondContact O-N 3.04Å; G69-I71 VanDerWaalsContact O-N 3.16Å |
| 70 | A | 85.8 | Confident | 84.1 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 90% | 0.901 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 71 | I | 78.9 | Confident | 83.6 | Confident | 121 Ų | 121 | 93.7 Ų | 93.7 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 121.7 | 177.1 | -65 | 168.7 | 0 | 0 | 0 | 108 | P20 G69 | P20-I71 HydrophobicContact CB-CD1 4.24Å; P20-I71 HydrophobicContact CG-CD1 4.29Å; G69-I71 PolarHBondContact O-N 3.04Å; G69-I71 VanDerWaalsContact O-N 3.16Å |
| 72 | G | 74.3 | Confident | 83.3 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | trans | 88.7 | -179.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 73 | G | 76.7 | Confident | 83.1 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 86% | 0.856 | 53% | 0.533 | S | S | * | . | trans | 95.7 | 143 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 74 | S | 77.9 | Confident | 83 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 77% | 0.769 | 51% | 0.513 | S | S | * | . | trans | -92.9 | 143.2 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 75 | K | 73.9 | Confident | 82.9 | Confident | 189 Ų | 189 | 86.1 Ų | 86.1 | 82% | 0.822 | 52% | 0.521 | S | S | * | . | trans | -59.8 | 134.5 | 164.9 | -67.9 | -177.6 | 178.9 | -179.9 | 0 | 108.2 | R77 | K75-R77 PolarHBondContact O-N 2.89Š| ||
| 76 | P | 64.3 | Low | 83 | Confident | 95 Ų | 95 | 87.2 Ų | 87.2 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | trans | -64.8 | 105.2 | -179.1 | 25.3 | -33.3 | 0 | 0 | 0 | 110.2 | V78 | P76-V78 VanDerWaalsContact C-N 3.31Å; P76-V78 PolarHBondContact O-N 2.68Å | ||
| 77 | R | 68.5 | Low | 83 | Confident | 245 Ų | 245 | 85.7 Ų | 85.7 | 93% | 0.925 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -69.9 | -23 | -171.1 | -63.2 | -174.7 | 70.9 | -177.1 | 2.5 | 114.8 | K75 | K75-R77 PolarHBondContact O-N 2.89Š|
| 78 | V | 69.8 | Low | 83 | Confident | 61 Ų | 61 | 84.9 Ų | 84.9 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -131 | -27.9 | -173.3 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | P76 T80 N116 | P76-V78 VanDerWaalsContact C-N 3.31Å; P76-V78 PolarHBondContact O-N 2.68Å; V78-T80 PolarHBondContact O-N 2.96Å; V78-N116 WeakPolarHBondContact CG1-O 3.29Å |
| 79 | T | 77.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 86.2 Ų | 86.2 | 26% | 0.258 | 51% | 0.511 | S | S | . | . | trans | -85.1 | 76.4 | -178.1 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | V84 I126 | T79-V84 HydrophobicContact CG2-CG2 3.34Å; T79-I126 HydrophobicContact CG2-CD1 3.65Å; T79-I126 HydrophobicContact CG2-CG1 4.1Å | ||
| 80 | T | 84.9 | Confident | 83.5 | Confident | 60 Ų | 60 | 85 Ų | 85 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | trans | -69 | 150.3 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | V78 T82 V83 V84 | V78-T80 PolarHBondContact O-N 2.96Å; T80-T82 PolarHBondContact O-N 3.35Å; T80-T82 PolarHBondContact OG1-OG1 3.09Å; T80-V83 PolarHBondContact O-N 3.35Å; T80-V83 WeakPolarHBondContact OG1-CB 3.2Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.47Å; T80-V84 WeakPolarHBondContact O-CG2 3.22Å; T80-V84 PolarHBondContact O-N 3.39Å | ||
| 81 | P | 86.4 | Confident | 83.9 | Confident | 113 Ų | 113 | 82.2 Ų | 82.2 | 73% | 0.734 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.5 | -30.9 | 179.1 | -25.3 | 35.3 | 0 | 0 | 0 | 113.8 | V84 K85 | P81-V84 PolarHBondContact O-N 3.14Å; P81-K85 PolarHBondContact O-N 3.29Å |
| 82 | T | 88.9 | Confident | 84.5 | Confident | 85 Ų | 85 | 83.1 Ų | 83.1 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 176.9 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | T80 V84 K85 H86 | T80-T82 PolarHBondContact O-N 3.35Å; T80-T82 PolarHBondContact OG1-OG1 3.09Å; T82-V84 VanDerWaalsContact C-N 3.34Å; T82-V84 PolarHBondContact O-N 2.92Å; T82-K85 WeakPolarHBondContact O-CB 3.37Å; T82-K85 PolarHBondContact O-N 3.24Å; T82-K85 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-N 3.02Å; T82-H86 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-ND1 3.27Å |
| 83 | V | 91.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 90.3 Ų | 90.3 | 2% | 0.024 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.7 | T80 K85 H86 I87 L106 V111 C112 P118 | T80-V83 PolarHBondContact O-N 3.35Å; T80-V83 WeakPolarHBondContact OG1-CB 3.2Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.47Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.45Å; V83-H86 PolarHBondContact O-N 3.26Å; V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.34Å; V83-I87 VanDerWaalsContact O-CG1 3.29Å; V83-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 PolarHBondContact O-N 2.89Å; V83-L106 HydrophobicContact CG1-CD1 4.05Å; V83-L106 HydrophobicContact CG1-CD2 4.22Å; V83-V111 HydrophobicContact CG2-CG1 4.15Å; V83-C112 WeakPolarHBondContact CG2-SG 3.5Å; V83-P118 HydrophobicContact CG1-CG 3.91Å |
| 84 | V | 91.9 | Very high | 86.3 | Confident | 19 Ų | 19 | 88.7 Ų | 88.7 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.8 | -34 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | T79 T80 P81 T82 R88 I126 K130 | T79-V84 HydrophobicContact CG2-CG2 3.34Å; T80-V84 WeakPolarHBondContact O-CG2 3.22Å; T80-V84 PolarHBondContact O-N 3.39Å; P81-V84 PolarHBondContact O-N 3.14Å; T82-V84 VanDerWaalsContact C-N 3.34Å; T82-V84 PolarHBondContact O-N 2.92Å; V84-R88 PolarHBondContact O-N 2.98Å; V84-I126 HydrophobicContact CG1-CG2 4.1Å; V84-I126 HydrophobicContact CG2-CD1 4.33Å; V84-I126 HydrophobicContact CG2-CG2 4.21Å; V84-K130 HydrophobicContact CG1-CD 3.61Å |
| 85 | K | 92.8 | Very high | 87 | Confident | 149 Ų | 149 | 88.5 Ų | 88.5 | 65% | 0.648 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.5 | -50.5 | 174.2 | -170.6 | -174.1 | 177.1 | -172.3 | 0 | 110.7 | P81 T82 V83 R88 T89 | P81-K85 PolarHBondContact O-N 3.29Å; T82-K85 WeakPolarHBondContact O-CB 3.37Å; T82-K85 PolarHBondContact O-N 3.24Å; T82-K85 VanDerWaalsContact O-N 3.16Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 3.45Å; K85-R88 WeakPolarHBondContact O-CB 3.38Å; K85-R88 PolarHBondContact O-N 3.48Å; K85-T89 PolarHBondContact O-N 3.35Å; K85-T89 PolarHBondContact O-OG1 2.82Å |
| 86 | H | 93.8 | Very high | 87.9 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | -179.2 | -67.2 | 90.1 | 0 | 0 | 0 | 112.5 | T82 V83 R88 T89 Y90 L106 V111 | T82-H86 PolarHBondContact O-N 3.02Å; T82-H86 VanDerWaalsContact O-N 3.16Å; T82-H86 PolarHBondContact O-ND1 3.27Å; V83-H86 PolarHBondContact O-N 3.26Å; H86-R88 PolarHBondContact O-N 2.92Å; H86-T89 PolarHBondContact O-N 3.17Å; H86-Y90 HydrophobicContact CB-CE2 3.8Å; H86-Y90 WeakPolarHBondContact O-CD2 3.48Å; H86-Y90 PolarHBondContact O-N 2.72Å; H86-L106 HydrophobicContact CB-CD2 3.93Å; H86-V111 HydrophobicContact CB-CG1 4.07Å |
| 87 | I | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -51.7 | -43 | 172.7 | -70.8 | 169.7 | 0 | 0 | 0 | 111.6 | V83 K91 I102 L106 P118 I123 I126 L127 | V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.34Å; V83-I87 VanDerWaalsContact O-CG1 3.29Å; V83-I87 WeakPolarHBondContact O-CG1 3.44Å; V83-I87 PolarHBondContact O-N 2.89Å; I87-K91 PolarHBondContact O-N 3.2Å; I87-I102 HydrophobicContact CB-CG2 4.35Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.32Å; I87-L106 HydrophobicContact CD1-CD1 4.19Å; I87-L106 HydrophobicContact CG1-CD1 3.85Å; I87-P118 HydrophobicContact CD1-CG 4.37Å; I87-I123 HydrophobicContact CD1-CG1 4.1Å; I87-I123 HydrophobicContact CG2-CG2 4.27Å; I87-I126 HydrophobicContact CD1-CD1 3.8Å; I87-I126 HydrophobicContact CD1-CG2 4.34Å; I87-I126 HydrophobicContact CG2-CG2 4.01Å; I87-L127 HydrophobicContact CG2-CD2 3.6Å; I87-L127 HydrophobicContact CG2-CG 4.18Å |
| 88 | R | 92.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 72 Ų | 72 | 28% | 0.275 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 174.8 | 177.9 | -177.6 | -78.2 | -169.5 | -11.2 | 111.4 | V84 K85 H86 Y90 K91 Q92 K130 | V84-R88 PolarHBondContact O-N 2.98Å; K85-R88 WeakPolarHBondContact O-CB 3.38Å; K85-R88 PolarHBondContact O-N 3.48Å; H86-R88 PolarHBondContact O-N 2.92Å; R88-Y90 VanDerWaalsContact C-N 3.35Å; R88-Y90 PolarHBondContact O-N 3.16Å; R88-K91 PolarHBondContact O-N 2.89Å; R88-Q92 VanDerWaalsContact O-CB 3.28Å; R88-Q92 WeakPolarHBondContact O-CB 3.45Å; R88-Q92 PolarHBondContact O-N 3.38Å; R88-K130 PolarHBondContact NH2-O 3.28Å |
| 89 | T | 94.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | -179.6 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | K85 H86 Q92 R93 | K85-T89 PolarHBondContact O-N 3.35Å; K85-T89 PolarHBondContact O-OG1 2.82Å; H86-T89 PolarHBondContact O-N 3.17Å; T89-Q92 PolarHBondContact O-N 3.34Å; T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.46Å |
| 90 | Y | 95.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 74.1 Ų | 74.1 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 176 | -55.2 | -53.1 | 0 | 0 | 0 | 111.9 | H86 R88 Q92 R93 D94 I102 R105 L106 D109 | H86-Y90 HydrophobicContact CB-CE2 3.8Å; H86-Y90 WeakPolarHBondContact O-CD2 3.48Å; H86-Y90 PolarHBondContact O-N 2.72Å; R88-Y90 VanDerWaalsContact C-N 3.35Å; R88-Y90 PolarHBondContact O-N 3.16Å; Y90-Q92 VanDerWaalsContact C-N 3.25Å; Y90-Q92 PolarHBondContact O-N 3Å; Y90-R93 PolarHBondContact O-N 2.88Å; Y90-D94 PolarHBondContact O-N 2.89Å; Y90-I102 HydrophobicContact CD2-CG2 4.23Å; Y90-R105 HydrophobicContact CE1-CB 4.3Å; Y90-R105 HydrophobicContact CE2-CB 4.4Å; Y90-L106 HydrophobicContact CE2-CD2 3.87Å; Y90-L106 HydrophobicContact CE2-CG 4.04Å; Y90-D109 WeakPolarHBondContact CE1-OD2 3.45Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y90-D109 PolarHBondContact OH-OD2 3.2Å |
| 91 | K | 93.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 74 Ų | 74 | 22% | 0.222 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.1 | -19.9 | -179.7 | -164.6 | 59.2 | 164.4 | 175.8 | 0 | 113.7 | I87 R88 D94 P95 G96 I97 I102 L127 I131 | I87-K91 PolarHBondContact O-N 3.2Å; R88-K91 PolarHBondContact O-N 2.89Å; K91-D94 CarbonylContact C-O 3.57Å; K91-D94 WeakPolarHBondContact CA-O 3.19Å; K91-D94 CarbonylContact O-C 3.42Å; K91-P95 VanDerWaalsContact CE-O 3.27Å; K91-P95 WeakPolarHBondContact CE-O 3.43Å; K91-P95 PolarHBondContact NZ-O 3.25Å; K91-G96 VanDerWaalsContact NZ-C 3.35Å; K91-G96 PolarHBondContact NZ-O 3.35Å; K91-I97 HydrophobicContact CB-CG2 4.43Å; K91-I97 HydrophobicContact CD-CG2 3.63Å; K91-I97 PolarHBondContact NZ-O 3.37Å; K91-I102 HydrophobicContact CB-CD1 4.45Å; K91-L127 HydrophobicContact CB-CD2 3.93Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; K91-I131 HydrophobicContact CB-CD1 4.33Å; K91-I131 HydrophobicContact CG-CD1 3.83Å |
| 92 | Q | 93.1 | Very high | 93.8 | Very high | 141 Ų | 141 | 68.6 Ų | 68.6 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -82.6 | -36.8 | 173.2 | -175.6 | 174.6 | -1 | 0 | 0 | 112.1 | R88 T89 Y90 D94 | R88-Q92 VanDerWaalsContact O-CB 3.28Å; R88-Q92 WeakPolarHBondContact O-CB 3.45Å; R88-Q92 PolarHBondContact O-N 3.38Å; T89-Q92 PolarHBondContact O-N 3.34Å; Y90-Q92 VanDerWaalsContact C-N 3.25Å; Y90-Q92 PolarHBondContact O-N 3Å; Q92-D94 VanDerWaalsContact C-N 3.33Å |
| 93 | R | 94.1 | Very high | 94.1 | Very high | 220 Ų | 220 | 68.5 Ų | 68.5 | 83% | 0.83 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.6 | -32 | 172.9 | -178.9 | 173.7 | 178.2 | 173 | 0.1 | 112.1 | T89 Y90 | T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.46Å; Y90-R93 PolarHBondContact O-N 2.88Å |
| 94 | D | 93.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | trans | -140.4 | 97.6 | -176.9 | -179.7 | -15.6 | 0 | 0 | 0 | 109.2 | Y90 K91 Q92 G96 I97 R105 | Y90-D94 PolarHBondContact O-N 2.89Å; K91-D94 CarbonylContact C-O 3.57Å; K91-D94 WeakPolarHBondContact CA-O 3.19Å; K91-D94 CarbonylContact O-C 3.42Å; Q92-D94 VanDerWaalsContact C-N 3.33Å; D94-G96 PolarHBondContact O-N 3.26Å; D94-G96 WeakPolarHBondContact OD1-CA 3.23Å; D94-G96 PolarHBondContact OD1-N 3.26Å; D94-I97 HydrophobicContact CB-CB 4.11Å; D94-I97 HydrophobicContact CB-CG2 4.25Å; D94-I97 WeakPolarHBondContact O-CG2 3.37Å; D94-I97 PolarHBondContact O-N 3.39Å; D94-I97 PolarHBondContact OD1-N 3Å; D94-R105 IonicContact OD2-NH2 3.73Å | ||
| 95 | P | 92.3 | Very high | 94.5 | Very high | 106 Ų | 106 | 74.2 Ų | 74.2 | 69% | 0.688 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -67.1 | -14.8 | 176.4 | -24.3 | 36.1 | 0 | 0 | 0 | 114.1 | K91 | K91-P95 VanDerWaalsContact CE-O 3.27Å; K91-P95 WeakPolarHBondContact CE-O 3.43Å; K91-P95 PolarHBondContact NZ-O 3.25Å |
| 96 | G | 93.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -74.3 | -48 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K91 D94 F98 | K91-G96 VanDerWaalsContact NZ-C 3.35Å; K91-G96 PolarHBondContact NZ-O 3.35Å; D94-G96 PolarHBondContact O-N 3.26Å; D94-G96 WeakPolarHBondContact OD1-CA 3.23Å; D94-G96 PolarHBondContact OD1-N 3.26Å; G96-F98 PolarHBondContact O-N 3.02Å |
| 97 | I | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -37.8 | 125.7 | -166.9 | -160.7 | 179.7 | 0 | 0 | 0 | 115.7 | K91 D94 E101 I102 R105 | K91-I97 HydrophobicContact CB-CG2 4.43Å; K91-I97 HydrophobicContact CD-CG2 3.63Å; K91-I97 PolarHBondContact NZ-O 3.37Å; D94-I97 HydrophobicContact CB-CB 4.11Å; D94-I97 HydrophobicContact CB-CG2 4.25Å; D94-I97 WeakPolarHBondContact O-CG2 3.37Å; D94-I97 PolarHBondContact O-N 3.39Å; D94-I97 PolarHBondContact OD1-N 3Å; I97-E101 WeakPolarHBondContact CA-OE2 3.46Å; I97-E101 HydrophobicContact CD1-CB 4Å; I97-E101 HydrophobicContact CG1-CB 3.49Å; I97-E101 VanDerWaalsContact CG1-CB 3.49Å; I97-E101 HydrophobicContact CG1-CG 4.43Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.48Å; I97-I102 HydrophobicContact CD1-CG1 3.84Å; I97-I102 HydrophobicContact CG1-CG1 4.07Å; I97-I102 HydrophobicContact CG2-CD1 3.96Å; I97-I102 HydrophobicContact CG2-CG1 3.86Å; I97-R105 VanDerWaalsContact CD1-CZ 3.4Å | ||
| 98 | F | 95.8 | Very high | 94.6 | Very high | 132 Ų | 132 | 71.3 Ų | 71.3 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | trans | -76.8 | 159.6 | -179.9 | -66.8 | -77.4 | 0 | 0 | 0 | 112.3 | G96 W100 E101 I102 | G96-F98 PolarHBondContact O-N 3.02Å; F98-W100 HydrophobicContact CB-CG 4.36Å; F98-W100 AromaticContact CG-NE1 3.87Å; F98-W100 PolarHBondContact O-N 3.43Å; F98-E101 HydrophobicContact CB-CG 4.39Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.36Å; F98-E101 PolarHBondContact N-OE2 3.01Å; F98-E101 PolarHBondContact O-N 3.31Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 3.1Å | ||
| 99 | A | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -15.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R103 V120 I123 S124 L127 | A99-R103 PolarHBondContact O-N 2.97Å; A99-V120 HydrophobicContact CB-CG1 3.72Å; A99-I123 HydrophobicContact CB-CB 4.28Å; A99-I123 HydrophobicContact CB-CG2 3.87Å; A99-I123 WeakPolarHBondContact O-CD1 3.3Å; A99-S124 VanDerWaalsContact CB-OG 3.32Å; A99-S124 WeakPolarHBondContact CB-OG 3.31Å; A99-L127 HydrophobicContact CB-CD1 4.45Å |
| 100 | W | 95.9 | Very high | 94.5 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -83.4 | -42.8 | 171.2 | 67.3 | -94.2 | 0 | 0 | 0 | 111.4 | F98 I102 R103 D104 V120 | F98-W100 HydrophobicContact CB-CG 4.36Å; F98-W100 AromaticContact CG-NE1 3.87Å; F98-W100 PolarHBondContact O-N 3.43Å; W100-I102 VanDerWaalsContact C-N 3.31Å; W100-I102 PolarHBondContact O-N 3.04Å; W100-R103 WeakPolarHBondContact O-CA 3.47Å; W100-R103 WeakPolarHBondContact O-CB 3.42Å; W100-R103 PolarHBondContact O-N 3.5Å; W100-D104 PolarHBondContact O-N 2.9Å; W100-V120 HydrophobicContact CB-CG2 4.26Å |
| 101 | E | 96.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.9 | -62.9 | 170.8 | 135.8 | 0 | 0 | 111.8 | I97 F98 R103 D104 R105 | I97-E101 WeakPolarHBondContact CA-OE2 3.46Å; I97-E101 HydrophobicContact CD1-CB 4Å; I97-E101 HydrophobicContact CG1-CB 3.49Å; I97-E101 VanDerWaalsContact CG1-CB 3.49Å; I97-E101 HydrophobicContact CG1-CG 4.43Å; I97-E101 WeakPolarHBondContact CG1-OE2 3.48Å; F98-E101 HydrophobicContact CB-CG 4.39Å; F98-E101 WeakPolarHBondContact CD2-OE2 3.36Å; F98-E101 PolarHBondContact N-OE2 3.01Å; F98-E101 PolarHBondContact O-N 3.31Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.16Å; E101-D104 PolarHBondContact O-N 3.19Å; E101-R105 WeakPolarHBondContact O-CG 3.2Å; E101-R105 PolarHBondContact O-N 2.96Å |
| 102 | I | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 170.7 | -70.6 | 168.7 | 0 | 0 | 0 | 111.1 | I87 Y90 K91 I97 F98 W100 D104 L106 I123 L127 | I87-I102 HydrophobicContact CB-CG2 4.35Å; I87-I102 HydrophobicContact CG1-CG2 3.84Å; I87-I102 HydrophobicContact CG2-CG2 4.32Å; Y90-I102 HydrophobicContact CD2-CG2 4.23Å; K91-I102 HydrophobicContact CB-CD1 4.45Å; I97-I102 HydrophobicContact CD1-CG1 3.84Å; I97-I102 HydrophobicContact CG1-CG1 4.07Å; I97-I102 HydrophobicContact CG2-CD1 3.96Å; I97-I102 HydrophobicContact CG2-CG1 3.86Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 3.1Å; W100-I102 VanDerWaalsContact C-N 3.31Å; W100-I102 PolarHBondContact O-N 3.04Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.09Å; I102-L106 HydrophobicContact CG2-CD1 4.25Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.01Å; I102-L106 PolarHBondContact O-N 3.33Å; I102-I123 HydrophobicContact CB-CG2 4.15Å; I102-I123 HydrophobicContact CD1-CG2 4.24Å; I102-I123 HydrophobicContact CG2-CD1 4.33Å; I102-I123 HydrophobicContact CG2-CG2 3.75Å; I102-L127 HydrophobicContact CD1-CD1 3.87Å; I102-L127 HydrophobicContact CD1-CD2 4.12Å |
| 103 | R | 95.3 | Very high | 93.9 | Very high | 83 Ų | 83 | 69 Ų | 69 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.2 | -169.9 | -160.8 | 64.2 | -172.7 | -10.1 | 110.5 | A99 W100 E101 L106 L107 L117 I123 | A99-R103 PolarHBondContact O-N 2.97Å; W100-R103 WeakPolarHBondContact O-CA 3.47Å; W100-R103 WeakPolarHBondContact O-CB 3.42Å; W100-R103 PolarHBondContact O-N 3.5Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.16Å; R103-L106 WeakPolarHBondContact O-CB 3.3Å; R103-L106 PolarHBondContact O-N 2.71Å; R103-L107 PolarHBondContact O-N 3.02Å; R103-L117 HydrophobicContact CG-CD1 3.82Å; R103-L117 HydrophobicContact CG-CD2 3.64Å; R103-L117 HydrophobicContact CG-CG 3.66Å; R103-I123 HydrophobicContact CB-CD1 3.54Å; R103-I123 HydrophobicContact CG-CD1 4.01Å |
| 104 | D | 95.7 | Very high | 93.6 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.2 | -29.1 | -172.7 | -60 | -15.9 | 0 | 0 | 0 | 111.2 | W100 E101 I102 L107 A108 | W100-D104 PolarHBondContact O-N 2.9Å; E101-D104 PolarHBondContact O-N 3.19Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.09Å; D104-L107 PolarHBondContact O-N 2.85Å; D104-A108 PolarHBondContact O-N 3.11Å |
| 105 | R | 95.8 | Very high | 93.2 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 164.8 | -69.2 | -171.9 | -165.8 | 173.2 | 12.7 | 113.2 | Y90 D94 I97 E101 L107 A108 D109 | Y90-R105 HydrophobicContact CE1-CB 4.3Å; Y90-R105 HydrophobicContact CE2-CB 4.4Å; D94-R105 IonicContact OD2-NH2 3.73Å; I97-R105 VanDerWaalsContact CD1-CZ 3.4Å; E101-R105 WeakPolarHBondContact O-CG 3.2Å; E101-R105 PolarHBondContact O-N 2.96Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 3.17Å; R105-A108 PolarHBondContact O-N 3.14Å; R105-D109 WeakPolarHBondContact O-CB 3Å; R105-D109 PolarHBondContact O-N 3.42Å |
| 106 | L | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.6 | -31.6 | 173.9 | -76 | 167.2 | 0 | 0 | 0 | 112.8 | V83 H86 I87 Y90 I102 R103 V111 C112 L117 P118 I123 | V83-L106 HydrophobicContact CG1-CD1 4.05Å; V83-L106 HydrophobicContact CG1-CD2 4.22Å; H86-L106 HydrophobicContact CB-CD2 3.93Å; I87-L106 HydrophobicContact CD1-CD1 4.19Å; I87-L106 HydrophobicContact CG1-CD1 3.85Å; Y90-L106 HydrophobicContact CE2-CD2 3.87Å; Y90-L106 HydrophobicContact CE2-CG 4.04Å; I102-L106 HydrophobicContact CG2-CD1 4.25Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.01Å; I102-L106 PolarHBondContact O-N 3.33Å; R103-L106 WeakPolarHBondContact O-CB 3.3Å; R103-L106 PolarHBondContact O-N 2.71Å; L106-V111 HydrophobicContact CD2-CB 3.81Å; L106-V111 HydrophobicContact CD2-CG1 3.59Å; L106-V111 PolarHBondContact O-N 2.9Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.36Å; L106-L117 HydrophobicContact CB-CD1 4.12Å; L106-P118 HydrophobicContact CD1-CG 4.07Å; L106-I123 HydrophobicContact CD1-CD1 4.45Å |
| 107 | L | 94.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.3 | -49.3 | 169.9 | -73.7 | 171 | 0 | 0 | 0 | 111.4 | R103 D104 R105 D109 G110 L117 | R103-L107 PolarHBondContact O-N 3.02Å; D104-L107 PolarHBondContact O-N 2.85Å; R105-L107 VanDerWaalsContact C-N 3.26Å; R105-L107 PolarHBondContact O-N 3.17Å; L107-D109 PolarHBondContact O-N 2.97Å; L107-G110 PolarHBondContact O-N 3.03Å; L107-G110 VanDerWaalsContact O-N 3.13Å; L107-L117 HydrophobicContact CD1-CD2 3.78Å; L107-L117 HydrophobicContact CD2-CD1 4.02Å; L107-L117 HydrophobicContact CD2-CD2 3.98Å; L107-L117 HydrophobicContact CD2-CG 4.5Å; L107-L117 HydrophobicContact CG-CD1 3.79Å; L107-L117 HydrophobicContact CG-CD2 3.86Å; L107-L117 HydrophobicContact CG-CG 4.45Å |
| 108 | A | 94.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D104 R105 G110 | D104-A108 PolarHBondContact O-N 3.11Å; R105-A108 PolarHBondContact O-N 3.14Å; A108-G110 PolarHBondContact O-N 3.07Å |
| 109 | D | 92.8 | Very high | 92.5 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.4 | 178.3 | -67.2 | 3.2 | 0 | 0 | 0 | 112.7 | Y90 R105 L107 V111 | Y90-D109 WeakPolarHBondContact CE1-OD2 3.45Å; Y90-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y90-D109 PolarHBondContact OH-OD2 3.2Å; R105-D109 WeakPolarHBondContact O-CB 3Å; R105-D109 PolarHBondContact O-N 3.42Å; L107-D109 PolarHBondContact O-N 2.97Å; D109-V111 HydrophobicContact CB-CG2 3.87Å; D109-V111 PolarHBondContact O-N 3.29Å |
| 110 | G | 90.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 70.9 Ų | 70.9 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 15.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | L107 A108 | L107-G110 PolarHBondContact O-N 3.03Å; L107-G110 VanDerWaalsContact O-N 3.13Å; A108-G110 PolarHBondContact O-N 3.07Å |
| 111 | V | 90.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 68.6 Ų | 68.6 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -77.7 | -24.9 | -178.5 | -177 | 0 | 0 | 0 | 0 | 111.6 | V83 H86 L106 D109 | V83-V111 HydrophobicContact CG2-CG1 4.15Å; H86-V111 HydrophobicContact CB-CG1 4.07Å; L106-V111 HydrophobicContact CD2-CB 3.81Å; L106-V111 HydrophobicContact CD2-CG1 3.59Å; L106-V111 PolarHBondContact O-N 2.9Å; D109-V111 HydrophobicContact CB-CG2 3.87Å; D109-V111 PolarHBondContact O-N 3.29Å |
| 112 | C | 90 | Very high | 92.1 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | trans | -134.9 | 144.8 | 173.5 | -76.1 | 0 | 0 | 0 | 0 | 112.1 | V83 L106 N116 L117 | V83-C112 WeakPolarHBondContact CG2-SG 3.5Å; L106-C112 HydrophobicContact CB-CB 4.21Å; L106-C112 PolarHBondContact O-N 3.36Å; C112-N116 WeakPolarHBondContact CA-OD1 3.41Å; C112-N116 WeakPolarHBondContact CB-OD1 3.27Å; C112-L117 HydrophobicContact CB-CB 4.27Å; C112-L117 HydrophobicContact CB-CD1 3.52Å | ||
| 113 | D | 89.8 | Confident | 92 | Very high | 105 Ų | 105 | 67.3 Ų | 67.3 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | trans | -91.9 | 161.7 | 163.6 | -52.4 | -81.3 | 0 | 0 | 0 | 110.6 | F115 N116 L117 | D113-F115 PolarHBondContact O-N 3.08Å; D113-N116 PolarHBondContact N-OD1 3.46Å; D113-N116 PolarHBondContact O-N 2.87Å; D113-N116 PolarHBondContact O-OD1 3.13Å; D113-N116 PolarHBondContact OD2-ND2 3Å; D113-L117 WeakPolarHBondContact O-CB 3.5Å; D113-L117 PolarHBondContact O-N 2.84Å | ||
| 114 | K | 86.8 | Confident | 91.9 | Very high | 181 Ų | 181 | 64.6 Ų | 64.6 | 79% | 0.787 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -23.8 | 176.4 | -165.5 | 177.2 | -178.8 | -178.3 | 0 | 114.8 | ||
| 115 | F | 85.7 | Confident | 91.7 | Very high | 202 Ų | 202 | 69.8 Ų | 69.8 | 89% | 0.886 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -20.9 | 179.9 | -60.1 | -74.6 | 0 | 0 | 0 | 115.3 | D113 | D113-F115 PolarHBondContact O-N 3.08Š|
| 116 | N | 86.4 | Confident | 91.5 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -0.6 | 177.9 | 63.8 | 47.3 | 0 | 0 | 0 | 113.2 | V78 C112 D113 | V78-N116 WeakPolarHBondContact CG1-O 3.29Å; C112-N116 WeakPolarHBondContact CA-OD1 3.41Å; C112-N116 WeakPolarHBondContact CB-OD1 3.27Å; D113-N116 PolarHBondContact N-OD1 3.46Å; D113-N116 PolarHBondContact O-N 2.87Å; D113-N116 PolarHBondContact O-OD1 3.13Å; D113-N116 PolarHBondContact OD2-ND2 3Å |
| 117 | L | 90.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 121.2 | 174.2 | -167 | 68 | 0 | 0 | 0 | 112.2 | R103 L106 L107 C112 D113 | R103-L117 HydrophobicContact CG-CD1 3.82Å; R103-L117 HydrophobicContact CG-CD2 3.64Å; R103-L117 HydrophobicContact CG-CG 3.66Å; L106-L117 HydrophobicContact CB-CD1 4.12Å; L107-L117 HydrophobicContact CD1-CD2 3.78Å; L107-L117 HydrophobicContact CD2-CD1 4.02Å; L107-L117 HydrophobicContact CD2-CD2 3.98Å; L107-L117 HydrophobicContact CD2-CG 4.5Å; L107-L117 HydrophobicContact CG-CD1 3.79Å; L107-L117 HydrophobicContact CG-CD2 3.86Å; L107-L117 HydrophobicContact CG-CG 4.45Å; C112-L117 HydrophobicContact CB-CB 4.27Å; C112-L117 HydrophobicContact CB-CD1 3.52Å; D113-L117 WeakPolarHBondContact O-CB 3.5Å; D113-L117 PolarHBondContact O-N 2.84Å |
| 118 | P | 91.3 | Very high | 91 | Very high | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.019 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 141.3 | 175.6 | 28.1 | -34.6 | 0 | 0 | 0 | 111.5 | V83 I87 L106 I123 | V83-P118 HydrophobicContact CG1-CG 3.91Å; I87-P118 HydrophobicContact CD1-CG 4.37Å; L106-P118 HydrophobicContact CD1-CG 4.07Å; P118-I123 HydrophobicContact CB-CG1 4.06Å; P118-I123 HydrophobicContact CG-CD1 4.12Å; P118-I123 HydrophobicContact CG-CG1 3.78Å |
| 119 | S | 92.8 | Very high | 90.3 | Very high | 74 Ų | 74 | 74 Ų | 74 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 155.3 | 174.7 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | S121 S122 I123 | S119-S121 PolarHBondContact O-N 3.07Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S119-S122 CarbonylContact O-C 3.57Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 VanDerWaalsContact O-CB 3.27Å; S119-S122 WeakPolarHBondContact O-CB 3.29Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 WeakPolarHBondContact OG-CB 3.34Å; S119-S122 PolarHBondContact OG-N 2.9Å; S119-I123 PolarHBondContact O-N 3.18Å |
| 120 | V | 94.4 | Very high | 89 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.9 | -34.5 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 112 | A99 W100 S124 | A99-V120 HydrophobicContact CB-CG1 3.72Å; W100-V120 HydrophobicContact CB-CG2 4.26Å; V120-S124 WeakPolarHBondContact O-CB 3.41Å; V120-S124 PolarHBondContact O-N 3.45Å; V120-S124 PolarHBondContact O-OG 3.44Å |
| 121 | S | 94.1 | Very high | 87.6 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69 | -40.1 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | S119 S124 R125 | S119-S121 PolarHBondContact O-N 3.07Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-N 3.37Å; S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 3.11Å |
| 122 | S | 91.9 | Very high | 85.9 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | S119 S124 R125 I126 | S119-S122 CarbonylContact O-C 3.57Å; S119-S122 WeakPolarHBondContact O-CA 3.42Å; S119-S122 VanDerWaalsContact O-CB 3.27Å; S119-S122 WeakPolarHBondContact O-CB 3.29Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 WeakPolarHBondContact OG-CB 3.34Å; S119-S122 PolarHBondContact OG-N 2.9Å; S122-S124 VanDerWaalsContact C-N 3.35Å; S122-S124 PolarHBondContact O-N 3.35Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 2.71Å; S122-R125 VanDerWaalsContact O-N 3.15Å; S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.29Å; S122-I126 PolarHBondContact O-N 3.24Å |
| 123 | I | 93.8 | Very high | 84 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 173.9 | -64.4 | 167.3 | 0 | 0 | 0 | 109.7 | I87 A99 I102 R103 L106 P118 S119 R125 I126 L127 | I87-I123 HydrophobicContact CD1-CG1 4.1Å; I87-I123 HydrophobicContact CG2-CG2 4.27Å; A99-I123 HydrophobicContact CB-CB 4.28Å; A99-I123 HydrophobicContact CB-CG2 3.87Å; A99-I123 WeakPolarHBondContact O-CD1 3.3Å; I102-I123 HydrophobicContact CB-CG2 4.15Å; I102-I123 HydrophobicContact CD1-CG2 4.24Å; I102-I123 HydrophobicContact CG2-CD1 4.33Å; I102-I123 HydrophobicContact CG2-CG2 3.75Å; R103-I123 HydrophobicContact CB-CD1 3.54Å; R103-I123 HydrophobicContact CG-CD1 4.01Å; L106-I123 HydrophobicContact CD1-CD1 4.45Å; P118-I123 HydrophobicContact CB-CG1 4.06Å; P118-I123 HydrophobicContact CG-CD1 4.12Å; P118-I123 HydrophobicContact CG-CG1 3.78Å; S119-I123 PolarHBondContact O-N 3.18Å; I123-R125 VanDerWaalsContact C-N 3.27Å; I123-R125 PolarHBondContact O-N 2.83Å; I123-I126 WeakPolarHBondContact O-CB 3.36Å; I123-I126 PolarHBondContact O-N 3.26Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.25Å; I123-L127 PolarHBondContact O-N 3.29Å |
| 124 | S | 94.1 | Very high | 82.2 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.6 | -35.7 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | A99 V120 S121 S122 R128 | A99-S124 VanDerWaalsContact CB-OG 3.32Å; A99-S124 WeakPolarHBondContact CB-OG 3.31Å; V120-S124 WeakPolarHBondContact O-CB 3.41Å; V120-S124 PolarHBondContact O-N 3.45Å; V120-S124 PolarHBondContact O-OG 3.44Å; S121-S124 PolarHBondContact O-N 3.37Å; S122-S124 VanDerWaalsContact C-N 3.35Å; S122-S124 PolarHBondContact O-N 3.35Å; S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.25Å; S124-R128 VanDerWaalsContact O-N 3.1Å |
| 125 | R | 91.6 | Very high | 80.4 | Confident | 164 Ų | 164 | 72 Ų | 72 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70 | -41 | 173.3 | -174.5 | 179.5 | -179 | 176.8 | 2.4 | 112 | S121 S122 I123 L127 R128 N129 | S121-R125 WeakPolarHBondContact O-CB 3.5Å; S121-R125 PolarHBondContact O-N 3.11Å; S122-R125 WeakPolarHBondContact O-CB 3.34Å; S122-R125 PolarHBondContact O-N 2.71Å; S122-R125 VanDerWaalsContact O-N 3.15Å; I123-R125 VanDerWaalsContact C-N 3.27Å; I123-R125 PolarHBondContact O-N 2.83Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-R128 PolarHBondContact O-N 2.61Å; R125-N129 VanDerWaalsContact O-CB 3.24Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 PolarHBondContact O-N 3.19Å; R125-N129 PolarHBondContact O-OD1 3.01Å |
| 126 | I | 91.2 | Very high | 78.4 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.9 | -67.8 | 159.8 | 0 | 0 | 0 | 110.4 | T79 V84 I87 S122 I123 K130 | T79-I126 HydrophobicContact CG2-CD1 3.65Å; T79-I126 HydrophobicContact CG2-CG1 4.1Å; V84-I126 HydrophobicContact CG1-CG2 4.1Å; V84-I126 HydrophobicContact CG2-CD1 4.33Å; V84-I126 HydrophobicContact CG2-CG2 4.21Å; I87-I126 HydrophobicContact CD1-CD1 3.8Å; I87-I126 HydrophobicContact CD1-CG2 4.34Å; I87-I126 HydrophobicContact CG2-CG2 4.01Å; S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.29Å; S122-I126 PolarHBondContact O-N 3.24Å; I123-I126 WeakPolarHBondContact O-CB 3.36Å; I123-I126 PolarHBondContact O-N 3.26Å; I126-K130 WeakPolarHBondContact O-CB 3.13Å; I126-K130 PolarHBondContact O-N 2.98Å; I126-K130 VanDerWaalsContact O-N 3.14Å |
| 127 | L | 90.9 | Very high | 76.3 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59 | -57.4 | 175.7 | -65.3 | 174.2 | 0 | 0 | 0 | 110.8 | I87 K91 A99 I102 I123 R125 N129 K130 I131 | I87-L127 HydrophobicContact CG2-CD2 3.6Å; I87-L127 HydrophobicContact CG2-CG 4.18Å; K91-L127 HydrophobicContact CB-CD2 3.93Å; K91-L127 HydrophobicContact CG-CD2 3.99Å; A99-L127 HydrophobicContact CB-CD1 4.45Å; I102-L127 HydrophobicContact CD1-CD1 3.87Å; I102-L127 HydrophobicContact CD1-CD2 4.12Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 HydrophobicContact CG2-CG 4.32Å; I123-L127 VanDerWaalsContact O-CG 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.25Å; I123-L127 PolarHBondContact O-N 3.29Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-N129 PolarHBondContact O-N 3.5Å; L127-K130 PolarHBondContact O-N 3.45Å; L127-I131 HydrophobicContact CB-CD1 4.06Å; L127-I131 HydrophobicContact CD2-CD1 3.61Å; L127-I131 HydrophobicContact CG-CD1 4.45Å; L127-I131 VanDerWaalsContact O-CB 3.26Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.17Å; L127-I131 PolarHBondContact O-N 3.4Å |
| 128 | R | 87.9 | Confident | 73.8 | Confident | 172 Ų | 172 | 74 Ų | 74 | 65% | 0.649 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.8 | -50.2 | -179.9 | -71.4 | -171.4 | -62.2 | -97.5 | 4.8 | 112.5 | S124 R125 K130 | S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.25Å; S124-R128 VanDerWaalsContact O-N 3.1Å; R125-R128 PolarHBondContact O-N 2.61Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.42Å |
| 129 | N | 79.8 | Confident | 71.2 | Confident | 113 Ų | 113 | 81.8 Ų | 81.8 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.1 | -15.9 | -174.4 | -72.2 | 28.8 | 0 | 0 | 0 | 114.3 | R125 L127 | R125-N129 VanDerWaalsContact O-CB 3.24Å; R125-N129 WeakPolarHBondContact O-CB 3.37Å; R125-N129 PolarHBondContact O-N 3.19Å; R125-N129 PolarHBondContact O-OD1 3.01Å; L127-N129 PolarHBondContact O-N 3.5Å |
| 130 | K | 65.9 | Low | 68.6 | Low | 102 Ų | 102 | 85.5 Ų | 85.5 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -132.7 | 2.7 | -167.7 | -137.5 | 170.8 | -172.9 | -75.5 | 0 | 115.3 | V84 R88 I126 L127 R128 | V84-K130 HydrophobicContact CG1-CD 3.61Å; R88-K130 PolarHBondContact NH2-O 3.28Å; I126-K130 WeakPolarHBondContact O-CB 3.13Å; I126-K130 PolarHBondContact O-N 2.98Å; I126-K130 VanDerWaalsContact O-N 3.14Å; L127-K130 PolarHBondContact O-N 3.45Å; R128-K130 VanDerWaalsContact C-N 3.27Å; R128-K130 PolarHBondContact O-N 3.42Å |
| 131 | I | 60.7 | Low | 65.7 | Low | 65 Ų | 65 | 91.6 Ų | 91.6 | 33% | 0.333 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -104.1 | -37.7 | 170.1 | -63.8 | 175.2 | 0 | 0 | 0 | 111.4 | K91 L127 N133 L134 A135 | K91-I131 HydrophobicContact CB-CD1 4.33Å; K91-I131 HydrophobicContact CG-CD1 3.83Å; L127-I131 HydrophobicContact CB-CD1 4.06Å; L127-I131 HydrophobicContact CD2-CD1 3.61Å; L127-I131 HydrophobicContact CG-CD1 4.45Å; L127-I131 VanDerWaalsContact O-CB 3.26Å; L127-I131 WeakPolarHBondContact O-CB 3.43Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.17Å; L127-I131 PolarHBondContact O-N 3.4Å; I131-N133 PolarHBondContact O-N 2.83Å; I131-N133 VanDerWaalsContact O-N 3.15Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3Å; I131-A135 PolarHBondContact O-N 3.1Å |
| 132 | G | 54.5 | Low | 63.2 | Low | 53 Ų | 53 | 93.4 Ų | 93.4 | 55% | 0.546 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.4 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 133 | N | 49.5 | Very low | 60.4 | Low | 108 Ų | 108 | 95.8 Ų | 95.8 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -84.3 | -5.2 | 176 | -142.5 | 96.7 | 0 | 0 | 0 | 114.3 | I131 | I131-N133 PolarHBondContact O-N 2.83Å; I131-N133 VanDerWaalsContact O-N 3.15Å |
| 134 | L | 53.3 | Low | 57.8 | Low | 46 Ų | 46 | 105.7 Ų | 105.7 | 24% | 0.241 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -93.9 | -33.3 | 177.5 | -164.2 | 67.1 | 0 | 0 | 0 | 111.2 | I131 Q136 Q137 | I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3Å; L134-Q136 PolarHBondContact O-N 2.89Å; L134-Q137 PolarHBondContact O-N 3.35Å |
| 135 | A | 48.8 | Very low | 55 | Low | 72 Ų | 72 | 113.8 Ų | 113.8 | 60% | 0.595 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.3 | -33.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I131 | I131-A135 PolarHBondContact O-N 3.1Å |
| 136 | Q | 44.2 | Very low | 52.3 | Low | 141 Ų | 141 | 110.5 Ų | 110.5 | 66% | 0.659 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -16.9 | 175.6 | -69.3 | -172.8 | -15.4 | 0 | 0 | 114.2 | L134 | L134-Q136 PolarHBondContact O-N 2.89Š|
| 137 | Q | 41.2 | Very low | 50.2 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 42% | 0.416 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -78.3 | -25.3 | 179.4 | -69.3 | -159.3 | -100.4 | 0 | 0 | 113.4 | L134 Q139 Y140 | L134-Q137 PolarHBondContact O-N 3.35Å; Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q137-Q139 PolarHBondContact O-N 2.87Å; Q137-Y140 HydrophobicContact CB-CE1 4.03Å; Q137-Y140 HydrophobicContact CG-CE1 4.12Å; Q137-Y140 PolarHBondContact NE2-OH 3.21Å; Q137-Y140 WeakPolarHBondContact O-CE1 3.08Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.36Å; Q137-Y140 VanDerWaalsContact O-CZ 3.27Å |
| 138 | S | 37.5 | Very low | 47.7 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -81.9 | 3.1 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 139 | Q | 36.9 | Very low | 45.8 | Very low | 168 Ų | 168 | 119.2 Ų | 119.2 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -112.8 | 4.8 | -171.8 | -153.8 | 172.8 | -1.2 | 0 | 0 | 114.4 | Q137 | Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q137-Q139 PolarHBondContact O-N 2.87Å |
| 140 | Y | 39 | Very low | 44.3 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 60% | 0.596 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -106.3 | 6.8 | 178.4 | 56.5 | -125.8 | 0 | 0 | 0 | 115.3 | Q137 | Q137-Y140 HydrophobicContact CB-CE1 4.03Å; Q137-Y140 HydrophobicContact CG-CE1 4.12Å; Q137-Y140 PolarHBondContact NE2-OH 3.21Å; Q137-Y140 WeakPolarHBondContact O-CE1 3.08Å; Q137-Y140 WeakPolarHBondContact O-CE2 3.36Å; Q137-Y140 VanDerWaalsContact O-CZ 3.27Å |
| 141 | E | 33.5 | Very low | 43.6 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -123.7 | 37.6 | -176.9 | -149.5 | 167.9 | 129.9 | 0 | 0 | 113.8 | ||
| 142 | S | 40.1 | Very low | 42.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 88% | 0.881 | 71% | 0.707 | S | S | * | * | trans | -154.5 | 113.6 | 160 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | G | 34.1 | Very low | 41.9 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | 160.3 | 78.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 144 | K | 39 | Very low | 41.6 | Very low | 209 Ų | 209 | 127.4 Ų | 127.4 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -76.2 | 157.3 | 173.5 | -75 | -173.1 | 176.8 | -178.6 | 0 | 111.7 | ||||
| 145 | Q | 35.3 | Very low | 40.9 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -53.6 | 140.9 | -169.6 | -61.9 | 146.4 | -61.5 | 0 | 0 | 115.7 | ||||
| 146 | A | 35.2 | Very low | 40.6 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -148.8 | 155.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | P | 46.4 | Very low | 40 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 165.2 | -158.5 | -1.7 | 22.7 | 0 | 0 | 0 | 116.4 | ||
| 148 | H | 38.8 | Very low | 39.7 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.9 | -178.3 | 157.3 | -67.6 | 0 | 0 | 0 | 113.3 | ||
| 149 | P | 47.7 | Very low | 39.7 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 156.5 | 160.8 | 23.6 | -7.5 | 0 | 0 | 0 | 113.6 | ||
| 150 | P | 49.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 169.2 | -168.3 | 35.1 | -37.9 | 0 | 0 | 0 | 116 | ||
| 151 | P | 50.5 | Low | 39.6 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -104.7 | 142.6 | -166.7 | 37.8 | -33.4 | 0 | 0 | 0 | 116.4 | ||||
| 152 | Q | 35.5 | Very low | 39.5 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -176.4 | 169.2 | 153.4 | -82.7 | -36.8 | -70.9 | 0 | 0 | 108.5 | ||||
| 153 | P | 44.3 | Very low | 39 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -119.8 | -148.8 | -44.7 | 38.2 | -22.1 | 0 | 0 | 0 | 110.3 | ||||
| 154 | S | 43.2 | Very low | 39.6 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -115.7 | 173.2 | -165.2 | 56.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 155 | L | 37.7 | Very low | 39.3 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 83.6 | 163.5 | 172.4 | -46.7 | -178.5 | 0 | 0 | 0 | 116.2 | ||||
| 156 | P | 43.8 | Very low | 39.3 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | -130.5 | 141.5 | -68.7 | 36.5 | -22 | 0 | 0 | 0 | 113.1 | |||||
| 157 | Y | 31.1 | Very low | 39.4 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 93% | 0.933 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 141.7 | 176.2 | -154.7 | -94.1 | 0 | 0 | 0 | 112.5 | ||
| 158 | N | 34 | Very low | 39.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 164.4 | -167.6 | -148.5 | -26.4 | 0 | 0 | 0 | 113.1 | ||
| 159 | H | 39.4 | Very low | 39.2 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 141 | -173.7 | -59.2 | -90 | 0 | 0 | 0 | 112.7 | ||
| 160 | L | 35.8 | Very low | 38.9 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -146.6 | 82.5 | 167.8 | -156.6 | 81 | 0 | 0 | 0 | 113 | ||||
| 161 | Y | 36.7 | Very low | 38.4 | Very low | 213 Ų | 213 | 146 Ų | 146 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -158 | 149 | 132.9 | -127.3 | -88.4 | 0 | 0 | 0 | 109.6 | Y163 | Y161-Y163 HydrophobicContact CE1-CE2 4.41Š| ||
| 162 | S | 31.5 | Very low | 38.2 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -138.9 | 133 | -165 | 176.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 163 | Y | 30.5 | Very low | 38.2 | Very low | 210 Ų | 210 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -146.4 | 154.6 | 156.5 | -85.5 | -69.2 | 0 | 0 | 0 | 109.6 | Y161 | Y161-Y163 HydrophobicContact CE1-CE2 4.41Š| ||
| 164 | P | 45.6 | Very low | 38 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -94.6 | 150.4 | -146.5 | 35 | -38 | 0 | 0 | 0 | 115.8 | ||||
| 165 | A | 32.7 | Very low | 38.1 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -104.2 | 109.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 166 | S | 35.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -75.8 | 144.9 | 167.4 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | K | 38 | Very low | 38.3 | Very low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -91.2 | 139.5 | -171.1 | -57.7 | 169.3 | -174.9 | 173.6 | 0 | 110.7 | ||||
| 168 | V | 39.2 | Very low | 38.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -125.2 | 137 | 165 | -99 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 169 | P | 42 | Very low | 38.5 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 154.3 | -179.4 | -15.2 | 31.2 | 0 | 0 | 0 | 113.3 | ||||
| 170 | N | 40.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -115.2 | 128.8 | 179 | -149.7 | 105.3 | 0 | 0 | 0 | 110.9 | ||||
| 171 | P | 38.9 | Very low | 38.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 165.6 | 167.8 | 33.1 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 172 | P | 47 | Very low | 38.9 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -89.5 | 141.4 | -174.3 | 34 | -34.3 | 0 | 0 | 0 | 114 | ||||
| 173 | G | 35 | Very low | 39.5 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 178.2 | 137.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 174 | M | 39.6 | Very low | 40 | Very low | 187 Ų | 187 | 135 Ų | 135 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -86.9 | 170.3 | 172.1 | -92.5 | -177.2 | 171.7 | 0 | 0 | 111.7 | ||||
| 175 | P | 45.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | cis | -134.9 | 162.7 | -22.2 | 34.8 | -16.6 | 0 | 0 | 0 | 115.4 | ||||
| 176 | T | 43.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 8.7 | 123.1 | 152.9 | 59.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 177 | L | 42 | Very low | 41 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -165.7 | 111.2 | 131 | -109.2 | 173.7 | 0 | 0 | 0 | 110.8 | G179 | L177-G179 PolarHBondContact O-N 2.9Š| ||
| 178 | P | 35 | Very low | 41.8 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -86.8 | 101.9 | -176.2 | 32.1 | -32.7 | 0 | 0 | 0 | 112.8 | ||||
| 179 | G | 34.2 | Very low | 41.9 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 111.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L177 | L177-G179 PolarHBondContact O-N 2.9Š| ||
| 180 | H | 41.4 | Very low | 42.1 | Very low | 173 Ų | 173 | 141 Ų | 141 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 77.5 | 167 | 141.6 | -141.1 | -135 | 0 | 0 | 0 | 120.5 | ||||
| 181 | M | 40.8 | Very low | 42.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 75.8 | 50.7 | 162.1 | -47.2 | -100.6 | 67.1 | 0 | 0 | 119.3 | M183 | M181-M183 PolarHBondContact O-N 2.9Š| ||
| 182 | A | 38.8 | Very low | 42.4 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -66 | 126.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | H184 | A182-H184 PolarHBondContact O-N 2.76Š| ||
| 183 | M | 43.9 | Very low | 42.6 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 89.2 | -178.3 | -95.4 | -101.3 | 175.1 | 0 | 0 | 112.1 | M181 R185 | M181-M183 PolarHBondContact O-N 2.9Å; M183-R185 PolarHBondContact O-N 2.94Å | ||
| 184 | H | 39.8 | Very low | 43.6 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 105.5 | 174.7 | -120.5 | -95.3 | 0 | 0 | 0 | 110.5 | A182 I186 | A182-H184 PolarHBondContact O-N 2.76Å; H184-I186 VanDerWaalsContact C-N 3.28Å; H184-I186 HydrophobicContact CB-CD1 3.91Å; H184-I186 HydrophobicContact CB-CG1 4.03Å; H184-I186 PolarHBondContact O-N 2.86Å | ||
| 185 | R | 55.7 | Low | 44.3 | Very low | 249 Ų | 249 | 140.8 Ų | 140.8 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -71.7 | 81.8 | 171.8 | -62.6 | -173.9 | -164.3 | -108.5 | 5.3 | 110 | M183 | M183-R185 PolarHBondContact O-N 2.94Š| ||
| 186 | I | 43 | Very low | 44.8 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 65% | 0.651 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 127 | 178.8 | -65.4 | 169.1 | 0 | 0 | 0 | 109.5 | H184 | H184-I186 VanDerWaalsContact C-N 3.28Å; H184-I186 HydrophobicContact CB-CD1 3.91Å; H184-I186 HydrophobicContact CB-CG1 4.03Å; H184-I186 PolarHBondContact O-N 2.86Å |
| 187 | W | 37.8 | Very low | 45 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134 | 170.2 | -127 | 65.6 | 0 | 0 | 0 | 109.4 | S189 | W187-S189 PolarHBondContact O-N 2.88Š|
| 188 | P | 53.8 | Low | 45.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 122 | -179.2 | -25.6 | 35 | 0 | 0 | 0 | 112.5 | ||
| 189 | S | 42.8 | Very low | 46 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 141.7 | 172.7 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | W187 H191 | W187-S189 PolarHBondContact O-N 2.88Å; S189-H191 PolarHBondContact O-N 2.99Å |
| 190 | S | 45 | Very low | 46.6 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -86.4 | 70.4 | -163.7 | -50.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 191 | H | 41.9 | Very low | 46.2 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | -135.5 | 143.3 | 173 | -66.2 | -71.6 | 0 | 0 | 0 | 113.4 | S189 | S189-H191 PolarHBondContact O-N 2.99Š| ||
| 192 | S | 43.8 | Very low | 46.2 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 116.7 | -171.7 | -151.9 | 0 | 0 | 0 | 0 | 116.4 | T194 | S192-T194 PolarHBondContact OG-OG1 2.85Š| ||
| 193 | V | 50.8 | Low | 46 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -99.9 | 98.6 | 169.1 | 177 | 0 | 0 | 0 | 0 | 107.5 | I196 | V193-I196 HydrophobicContact CG1-CD1 4.26Š| ||
| 194 | T | 56.9 | Low | 45.7 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | -139.7 | -38.4 | 179.9 | -22.5 | 0 | 0 | 0 | 0 | 113.7 | S192 | S192-T194 PolarHBondContact OG-OG1 2.85Š| ||
| 195 | D | 54.6 | Low | 45.4 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 10 | -173.7 | -69.8 | -74.5 | 0 | 0 | 0 | 116 | ||
| 196 | I | 54.8 | Low | 44.2 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -21.4 | -175.3 | -66.3 | -177.7 | 0 | 0 | 0 | 113.1 | V193 | V193-I196 HydrophobicContact CG1-CD1 4.26Š|
| 197 | L | 48.6 | Very low | 43.7 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -120 | 88.5 | 175.4 | -64.8 | 178.1 | 0 | 0 | 0 | 109.6 | I199 | L197-I199 PolarHBondContact O-N 3.33Š|
| 198 | G | 54.8 | Low | 43.4 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 99.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 199 | I | 41.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -124.1 | 113.8 | 166.6 | -55.9 | -179.9 | 0 | 0 | 0 | 108.2 | L197 | L197-I199 PolarHBondContact O-N 3.33Š| ||
| 200 | R | 46.7 | Very low | 41.6 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -122.5 | 148.9 | 164.9 | -69.8 | -172.2 | 178 | -154.3 | -0.4 | 108.1 | ||||
| 201 | S | 34.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 68.9 | 120.8 | -170.8 | -152.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 202 | I | 38.8 | Very low | 40.9 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -141.3 | 178.7 | 59.2 | 50.8 | 172.3 | 0 | 0 | 0 | 113.3 | |||||
| 203 | T | 35.6 | Very low | 40.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | 74.4 | 70.2 | 170.5 | -45.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 204 | E | 37.8 | Very low | 39.1 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -106.7 | 105.9 | 132 | 180 | -166.6 | 126.1 | 0 | 0 | 107 | ||||
| 205 | Q | 32.9 | Very low | 37.7 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -179.1 | 135.5 | 150.4 | -105.3 | 162.8 | 1.9 | 0 | 0 | 114.2 | ||||
| 206 | Q | 31.8 | Very low | 36.6 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | 63.3 | 113.4 | 147.8 | -76.6 | -178.3 | -141 | 0 | 0 | 123.4 | ||||
| 207 | I | 31.8 | Very low | 35.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | 92.5 | 138.2 | 120.6 | -71.4 | 174.7 | 0 | 0 | 0 | 120.2 | |||||
| 208 | S | 30.8 | Very low | 34.7 | Very low | 91 Ų | 91 | 143 Ų | 143 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -63.2 | 145.5 | 172.2 | -38.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 209 | D | 29.2 | Very low | 33.6 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | -176.4 | 170.2 | 97.3 | -96.4 | -24.1 | 0 | 0 | 0 | 112.1 | |||||
| 210 | S | 30.3 | Very low | 33 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -121.5 | 169.9 | 174 | 73.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | P | 44.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | cis | -135.9 | 177.1 | 6.5 | 42.8 | -27.4 | 0 | 0 | 0 | 114.9 | ||||
| 212 | S | 28.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -175.2 | 148.8 | 139.4 | -84.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 213 | F | 28 | Very low | 31.5 | Very low | 210 Ų | 210 | 145 Ų | 145 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -87.7 | 137.8 | 176.6 | -91.2 | -107.9 | 0 | 0 | 0 | 112 | ||||
| 214 | S | 27.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | -178.8 | 109.6 | 117.8 | 55 | 0 | 0 | 0 | 0 | 115 | |||||
| 215 | S | 27.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 54.8 | 137.4 | 137.9 | -145.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 216 | A | 30.9 | Very low | 30.9 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 96 | 96.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 217 | K | 30.1 | Very low | 31 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | 82.4 | 83.2 | 122 | -164.9 | -175.7 | -179.9 | 178.4 | 0 | 119.5 | |||||
| 218 | L | 34.6 | Very low | 30.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -155.1 | 95.4 | 139.1 | -162.1 | 76.4 | 0 | 0 | 0 | 113.5 | ||||
| 219 | E | 31.6 | Very low | 30.9 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -153.7 | 153.5 | 171.2 | -105.1 | 173.8 | 131.3 | 0 | 0 | 106.8 | ||||
| 220 | E | 29.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 57% | 0.565 | 80% | 0.802 | S | S | * | * | cis | -157.1 | 137.7 | -3.2 | -174.5 | -158.8 | 155.3 | 0 | 0 | 107.1 | ||||
| 221 | W | 28.1 | Very low | 32.1 | Very low | 265 Ų | 265 | 148.4 Ų | 148.4 | 100% | 1.004 | 80% | 0.804 | S | S | * | * | trans | -149.5 | 55.4 | 172.4 | -83.7 | 103.9 | 0 | 0 | 0 | 113.8 | ||||
| 222 | S | 29.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -152.1 | 64.9 | 166.2 | 63.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 223 | A | 31 | Very low | 32 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 65.1 | 122.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 224 | I | 31.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 132.4 | 144.2 | -76.2 | 97.5 | 0 | 0 | 0 | 109.6 | ||||
| 225 | N | 29 | Very low | 32.7 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 39.9 | 121.9 | 164.2 | -66.5 | -37.7 | 0 | 0 | 0 | 120.8 | ||||
| 226 | R | 32 | Very low | 33 | Very low | 230 Ų | 230 | 146.4 Ų | 146.4 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | 79.9 | 126.8 | 61.2 | -84.8 | -167.2 | 165.5 | -137.3 | -0.3 | 116.5 | |||||
| 227 | S | 35.2 | Very low | 33.1 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | 61.7 | 101.8 | 149.6 | 55.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 228 | N | 29.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | -172.7 | 161.7 | 94.6 | -98.5 | -1.2 | 0 | 0 | 0 | 113.7 | |||||
| 229 | F | 30.6 | Very low | 32.8 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -99.1 | 153.4 | 170.6 | -98.4 | -79.1 | 0 | 0 | 0 | 109.8 | ||||
| 230 | P | 39.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -142.2 | -148.5 | 87.2 | 41.8 | -21.9 | 0 | 0 | 0 | 112.8 | |||||
| 231 | P | 43.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | -120 | -178.5 | -113.2 | 34.9 | -13.7 | 0 | 0 | 0 | 115.4 | |||||
| 232 | A | 40.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -81.7 | 151.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 233 | S | 32.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -144.3 | 153.6 | 151.1 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 234 | S | 37.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -136.1 | 128.5 | -173 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 235 | S | 31.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -140.3 | 144.5 | 174.4 | -68.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 236 | L | 35 | Very low | 33.4 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -77.9 | 147.1 | 176.8 | -71.7 | 70.8 | 0 | 0 | 0 | 111.3 | ||||
| 237 | V | 32.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -145.8 | 142.9 | 133.1 | -74.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 238 | N | 30.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 178.9 | 94.5 | 137.1 | -99.5 | 14 | 0 | 0 | 0 | 110.4 | ||||
| 239 | G | 28.4 | Very low | 34.1 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | -84.2 | -176.3 | 135.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 240 | V | 34.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | cis | -154.3 | 151.6 | 17.8 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | D | 32.8 | Very low | 34 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -165.1 | 158.2 | 143.4 | -100 | -35.1 | 0 | 0 | 0 | 111.7 | ||||
| 242 | K | 31.5 | Very low | 33.2 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -157.5 | 127.2 | -152.4 | -177.4 | -175.6 | 178.5 | -172.2 | 0 | 118.4 | ||||
| 243 | A | 29.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | -158.5 | 158.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 244 | H | 28.4 | Very low | 32.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | cis | 82.2 | 130.6 | 14.7 | -127.8 | 29.4 | 0 | 0 | 0 | 114 | ||||
| 245 | L | 33.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | -133.9 | 148.8 | 11.1 | -87.3 | 166.8 | 0 | 0 | 0 | 109.8 | ||||
| 246 | E | 32.9 | Very low | 33.8 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | 64 | 148 | 79.1 | -71.7 | -74.8 | 83 | 0 | 0 | 117.5 | |||||
| 247 | P | 50.1 | Low | 33.9 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 54% | 0.539 | 76% | 0.762 | S | S | . | * | cis | -141.5 | -175.7 | -24.2 | 28.3 | -3.6 | 0 | 0 | 0 | 116.9 | ||||
| 248 | H | 30.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 144.2 | 167.3 | -58.9 | -86.2 | 0 | 0 | 0 | 119.5 | ||||
| 249 | E | 30.8 | Very low | 34 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -160.8 | 158.1 | -7.9 | -128.9 | 171.8 | -136 | 0 | 0 | 114.9 | ||||
| 250 | A | 36.1 | Very low | 35 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 149.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 251 | K | 31.2 | Very low | 35.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | cis | -165.7 | 134.6 | -1 | -129.9 | 169.1 | -174.7 | 171.1 | 0 | 111.9 | ||||
| 252 | F | 28 | Very low | 35.1 | Very low | 182 Ų | 182 | 136 Ų | 136 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 55.6 | 150 | 154.3 | -91.4 | -124 | 0 | 0 | 0 | 119.8 | ||||
| 253 | T | 31.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -139.9 | 171.9 | 5 | 39.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 254 | Q | 30.4 | Very low | 35.3 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | 177.9 | 155.4 | -32 | 174.4 | 162 | 56.7 | 0 | 0 | 106.7 | ||||
| 255 | T | 34.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | -131.7 | 168.5 | -175.5 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 256 | P | 57.6 | Low | 35.7 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | -138.1 | -175.7 | 68.1 | 24.2 | 1.5 | 0 | 0 | 0 | 113.8 | |||||
| 257 | S | 37.3 | Very low | 35.9 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | 99.3 | 128.4 | 6.1 | -48.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 258 | G | 30.6 | Very low | 35.2 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 163.5 | 134.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 259 | L | 34.5 | Very low | 36.3 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -154.9 | 149.1 | 165.4 | -94 | 176.7 | 0 | 0 | 0 | 108.7 | ||||
| 260 | P | 48.6 | Very low | 36.5 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -152.6 | -175.4 | 115.9 | 38.4 | -19.5 | 0 | 0 | 0 | 116.3 | |||||
| 261 | T | 36.7 | Very low | 36.7 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -91.1 | 152.6 | -166.8 | -44 | 0 | 0 | 0 | 0 | 116 | ||||
| 262 | A | 33.5 | Very low | 37.9 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 170.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 263 | N | 32.3 | Very low | 39.5 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -119.4 | 169.9 | -164.4 | -97 | -14.1 | 0 | 0 | 0 | 115.4 | ||||
| 264 | S | 32.4 | Very low | 39.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 97.8 | 167.6 | 145.6 | 78 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 265 | Y | 37.1 | Very low | 40.4 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -115.7 | 170.5 | -158.2 | -60 | -107.3 | 0 | 0 | 0 | 113 | ||||
| 266 | V | 33 | Very low | 41.8 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 162.7 | 169.1 | 131.3 | 158.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 267 | T | 36.8 | Very low | 41.8 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 137.6 | -152.2 | -61.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 268 | A | 36.7 | Very low | 41.9 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 59.4 | 169.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 269 | P | 52.3 | Low | 42.1 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | -153.4 | 178.4 | 66.3 | 42.2 | -20.8 | 0 | 0 | 0 | 119.7 | |||||
| 270 | S | 35.4 | Very low | 42 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 70 | 133.6 | 155.3 | -144.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 271 | I | 40.5 | Very low | 41.4 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | 81.2 | 135.9 | 25.4 | -57.3 | 171.5 | 0 | 0 | 0 | 112.1 | ||||
| 272 | P | 55.8 | Low | 41.4 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -126.4 | -104.1 | 31.7 | 23.3 | 4.5 | 0 | 0 | 0 | 122.3 | ||||
| 273 | P | 62.3 | Low | 41.3 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | -138.7 | 173.8 | -119.9 | 44.8 | -27.1 | 0 | 0 | 0 | 121.4 | |||||
| 274 | Y | 34.1 | Very low | 41.8 | Very low | 231 Ų | 231 | 140.6 Ų | 140.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -164 | 170.2 | 130.6 | -106.5 | -70.9 | 0 | 0 | 0 | 111.8 | ||||
| 275 | H | 46 | Very low | 41.9 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -152.1 | 179.4 | -159.9 | -89.5 | -91.2 | 0 | 0 | 0 | 113.3 | ||||
| 276 | P | 64.1 | Low | 41.7 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -119.1 | -91.5 | -33 | 27.3 | -4.3 | 0 | 0 | 0 | 112.2 | ||||
| 277 | P | 58.3 | Low | 41.7 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -130.2 | 146.4 | -34.3 | 37.6 | -19.4 | 0 | 0 | 0 | 117.9 | ||||
| 278 | T | 38 | Very low | 41.6 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 61.4 | 151.2 | 144.7 | 57 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 279 | Q | 36 | Very low | 41.5 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -168.1 | 170.7 | -1.8 | -110.1 | -87.3 | 31.6 | 0 | 0 | 113.2 | ||||
| 280 | V | 32.7 | Very low | 40.7 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 76.5 | 146.1 | 164.6 | -159.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 281 | S | 36.4 | Very low | 40.6 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | trans | -139.6 | 147.1 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 282 | H | 36.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | -172.4 | 160.6 | 62.8 | -65.7 | 75.3 | 0 | 0 | 0 | 110.5 | |||||
| 283 | Y | 30.5 | Very low | 39.4 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 92% | 0.918 | 76% | 0.761 | S | S | * | * | -178.2 | 166.5 | 127.8 | -156.4 | -115.8 | 0 | 0 | 0 | 111.6 | |||||
| 284 | M | 43.1 | Very low | 38.3 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -96.8 | 143.7 | 171.8 | -82.7 | -168.1 | 72.2 | 0 | 0 | 112.5 | ||||
| 285 | G | 33.8 | Very low | 38.5 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -149 | 148.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 286 | Y | 34.6 | Very low | 38.1 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 163.5 | -172.5 | -71.7 | -96.8 | 0 | 0 | 0 | 113.5 | ||||
| 287 | S | 32.5 | Very low | 37.5 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 86.9 | 105.5 | 150.9 | -58.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 288 | A | 33.7 | Very low | 36.3 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 86.4 | 159.1 | 123.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 289 | T | 35.2 | Very low | 36.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 80 | 126.9 | 168.5 | 63.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 290 | T | 36.3 | Very low | 36.6 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 51.8 | 121.8 | 148.8 | 54 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 291 | S | 32.4 | Very low | 37.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 120.5 | 152 | -177 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 292 | A | 36 | Very low | 37.3 | Very low | 64 Ų | 64 | 141.3 Ų | 141.3 | 53% | 0.529 | 81% | 0.805 | S | S | . | * | trans | -126.7 | 166.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 293 | Y | 35.3 | Very low | 37.3 | Very low | 217 Ų | 217 | 138.8 Ų | 138.8 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | cis | -155 | 155.7 | 23.9 | -46.1 | -106.6 | 0 | 0 | 0 | 108.4 | ||||
| 294 | V | 38.9 | Very low | 37.6 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -138 | 93.8 | 164.1 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 295 | T | 39.5 | Very low | 37.2 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | 29.9 | 114.4 | 146.6 | 59.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 296 | G | 36.8 | Very low | 37.3 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | 84.1 | 171 | 123 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 297 | P | 50.9 | Low | 37.3 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | cis | -110.5 | 176.6 | 0.8 | 40.6 | -31.5 | 0 | 0 | 0 | 115.3 | ||||
| 298 | T | 34.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 148.9 | -166.6 | -51.4 | 0 | 0 | 0 | 0 | 115.3 | Q300 | T298-Q300 HydrophobicContact CG2-CG 4.3Š| ||
| 299 | W | 35.5 | Very low | 38.5 | Very low | 252 Ų | 252 | 130.1 Ų | 130.1 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | -134.6 | 138.6 | 149.2 | -91.6 | 85.6 | 0 | 0 | 0 | 109.9 | ||||
| 300 | Q | 44.3 | Very low | 38.6 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -105.2 | 146.9 | 178.1 | -70.4 | -178.6 | -50.2 | 0 | 0 | 111.8 | T298 | T298-Q300 HydrophobicContact CG2-CG 4.3Š| ||
| 301 | P | 46.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -114.3 | 151.6 | 141.8 | 35.9 | -28.3 | 0 | 0 | 0 | 110.7 | ||||
| 302 | A | 36.6 | Very low | 38.6 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -89.8 | 141.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 303 | S | 36.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -132.9 | 130.2 | 163.2 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 304 | G | 36.5 | Very low | 38.9 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -118.8 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 305 | S | 34.6 | Very low | 38.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 158.3 | -168.8 | -64.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 306 | A | 35.7 | Very low | 38.7 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 158.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 307 | L | 36.1 | Very low | 40 | Very low | 177 Ų | 177 | 129.7 Ų | 129.7 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -131.2 | 140.5 | 147.9 | -73 | 178 | 0 | 0 | 0 | 109.8 | ||||
| 308 | S | 36.3 | Very low | 39.5 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -100.3 | 174.3 | 162.3 | -128.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 309 | P | 54.8 | Low | 39.6 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 61% | 0.61 | 82% | 0.818 | S | S | * | * | cis | -143.4 | 177.7 | 36.1 | 30.7 | -5.4 | 0 | 0 | 0 | 116.5 | ||||
| 310 | H | 37.2 | Very low | 39.8 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | 165.4 | 153.8 | 117.8 | -85.2 | -65.5 | 0 | 0 | 0 | 113 | |||||
| 311 | S | 33 | Very low | 39.7 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -91.4 | 151.8 | -167.2 | -173.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 312 | C | 34.9 | Very low | 39.2 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -161.7 | 167.9 | 139 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 313 | D | 35.7 | Very low | 39.2 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -102.3 | 163.6 | -151.1 | -92.4 | -71 | 0 | 0 | 0 | 118.5 | ||||
| 314 | L | 42.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 13.1 | 129.9 | 150.2 | -73 | 150.6 | 0 | 0 | 0 | 120.9 | ||||
| 315 | A | 35.7 | Very low | 39.2 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | 170.4 | 147.7 | 104.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 316 | G | 38.3 | Very low | 39.3 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 76.8 | 116.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 317 | P | 63.7 | Low | 39.5 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -101.6 | 148.2 | 171.3 | 37.4 | -31.9 | 0 | 0 | 0 | 114.5 | ||||
| 318 | L | 40.8 | Very low | 39.7 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -151.6 | 160.1 | 166.8 | -69.9 | 177.3 | 0 | 0 | 0 | 109.1 | ||||
| 319 | A | 36.2 | Very low | 39.9 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | cis | -172.7 | 155.6 | -31.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 320 | F | 40 | Very low | 39.5 | Very low | 217 Ų | 217 | 141 Ų | 141 | 95% | 0.952 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 149.6 | 175.8 | -99.4 | -107.7 | 0 | 0 | 0 | 112.7 | ||||
| 321 | K | 42.9 | Very low | 40 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -142.3 | 149.6 | 157.7 | -158.3 | 170.4 | -176.7 | -180 | 0 | 110.7 | ||||
| 322 | N | 34.9 | Very low | 41 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -144.1 | 164.5 | -165.7 | -164.7 | 6.5 | 0 | 0 | 0 | 111.4 | ||||
| 323 | I | 36.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | trans | 66.4 | 115.2 | 164.4 | -71.4 | 157.3 | 0 | 0 | 0 | 118.8 | ||||
| 324 | A | 35.7 | Very low | 41.9 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | 175.7 | 111.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 325 | A | 37.4 | Very low | 42.1 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | 72.1 | 82.8 | 62.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 326 | S | 37.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -100.8 | 152.3 | 159.1 | 54 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 327 | R | 39.9 | Very low | 43.3 | Very low | 242 Ų | 242 | 141.8 Ų | 141.8 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -141.8 | 118 | -170.4 | -176.7 | 179.2 | -174.9 | 171.1 | 1.3 | 109.5 | ||||
| 328 | D | 39.8 | Very low | 42.7 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 86% | 0.856 | 86% | 0.856 | S | S | * | * | trans | -64.5 | 145.8 | -178.5 | -65.8 | -75.2 | 0 | 0 | 0 | 112.8 | ||||
| 329 | A | 41.4 | Very low | 42.8 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 83% | 0.826 | 85% | 0.852 | S | S | * | * | trans | -97.5 | 141.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 330 | I | 46 | Very low | 43.1 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 84% | 0.841 | 86% | 0.859 | S | S | * | * | trans | -104.6 | 135 | -177.8 | -64.5 | 170.4 | 0 | 0 | 0 | 109.4 | ||||
| 331 | H | 47.3 | Very low | 43.3 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 82% | 0.819 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.6 | 174.1 | -74.7 | -96.2 | 0 | 0 | 0 | 111.9 | ||
| 332 | P | 53.2 | Low | 43.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.3 | 163.1 | 32.6 | -30.6 | 0 | 0 | 0 | 110.7 | ||
| 333 | V | 43.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 87% | 0.873 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 124.7 | 164 | 172.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 334 | A | 48 | Very low | 44.3 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 124.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 335 | A | 45.3 | Very low | 44.9 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 81% | 0.81 | 88% | 0.875 | S | S | * | * | trans | -108.4 | 121.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 336 | S | 50.5 | Low | 45.5 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 85% | 0.853 | 88% | 0.876 | S | S | * | * | trans | -105.3 | 136.5 | 171.6 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 337 | V | 49.5 | Very low | 46.1 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 88% | 0.877 | S | S | * | * | trans | -109 | 120.4 | 171.1 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 338 | L | 49.4 | Very low | 46.7 | Very low | 248 Ų | 248 | 142.7 Ų | 142.7 | 100% | 1.298 | 87% | 0.873 | S | S | * | * | trans | 175.4 | 0 | 144 | -95.5 | 165.4 | 0 | 0 | 0 | 109.2 |
Retrieved 338 of 338 residues in 225.9 ms
(Link to these results)