| 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 | 58.6 | Low | 85.3 | Confident | 182 Ų | 182 | 76.9 Ų | 76.9 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | 0 | 141.3 | 0 | -100.2 | 165.4 | 164.7 | 0 | 0 | 108 | Y3 P14 | M1-Y3 PolarHBondContact O-N 3.41Å; M1-P14 HydrophobicContact CB-CG 4.16Å; M1-P14 HydrophobicContact SD-CB 3.71Å; M1-P14 HydrophobicContact SD-CG 3.95Å | |||
| 2 | S | 64.8 | Low | 85.9 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 6% | 0.056 | 37% | 0.371 | C | S | . | . | trans | -64.5 | 121.2 | -173.9 | -27.3 | 0 | 0 | 0 | 0 | 109.9 | W4 I5 F66 S67 D68 | S2-W4 PolarHBondContact O-N 2.87Å; S2-W4 VanDerWaalsContact O-N 3.07Å; S2-I5 PolarHBondContact O-N 3.42Å; S2-I5 VanDerWaalsContact O-N 3.14Å; S2-F66 PolarHBondContact OG-O 3.16Å; S2-S67 PolarHBondContact OG-O 2.9Å; S2-D68 PolarHBondContact OG-N 3.48Å | ||
| 3 | Y | 73.7 | Confident | 86.3 | Confident | 169 Ų | 169 | 79 Ų | 79 | 66% | 0.663 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.5 | -176.5 | 56.7 | -91.5 | 0 | 0 | 0 | 113.5 | M1 I5 L13 | M1-Y3 PolarHBondContact O-N 3.41Å; Y3-I5 VanDerWaalsContact C-N 3.35Å; Y3-L13 WeakPolarHBondContact O-CD2 3.37Å |
| 4 | W | 85.8 | Confident | 86.6 | Confident | 141 Ų | 141 | 75.3 Ų | 75.3 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.5 | 177.8 | 71.1 | -97 | 0 | 0 | 0 | 113.6 | S2 L65 | S2-W4 PolarHBondContact O-N 2.87Å; S2-W4 VanDerWaalsContact O-N 3.07Å; W4-L65 WeakPolarHBondContact CZ2-O 3.35Å |
| 5 | I | 90.1 | Very high | 86.6 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | trans | -100.6 | 126.7 | -176.6 | -52.8 | 162.8 | 0 | 0 | 0 | 109.6 | S2 Y3 P14 L20 V28 F66 | S2-I5 PolarHBondContact O-N 3.42Å; S2-I5 VanDerWaalsContact O-N 3.14Å; Y3-I5 VanDerWaalsContact C-N 3.35Å; I5-P14 WeakPolarHBondContact O-CD 3.5Å; I5-L20 HydrophobicContact CG2-CD1 3.64Å; I5-V28 HydrophobicContact CG2-CG1 4.27Å; I5-F66 HydrophobicContact CD1-CB 3.7Å; I5-F66 HydrophobicContact CD1-CD1 3.83Å; I5-F66 HydrophobicContact CD1-CG 4.26Å; I5-F66 WeakPolarHBondContact CD1-O 3.45Å; I5-F66 HydrophobicContact CG1-CD1 4.45Å; I5-F66 HydrophobicContact CG2-CD1 4.31Å | ||
| 6 | C | 92.6 | Very high | 86.5 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 24% | 0.243 | 39% | 0.391 | C | S | . | . | trans | -136.4 | 173.7 | 175.3 | 65 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | C | 94.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -69.9 | 128.1 | 169.5 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | S9 C10 F11 N12 L20 C30 C33 | C7-S9 PolarHBondContact O-N 3.24Å; C7-C10 VanDerWaalsContact CB-SG 3.6Å; C7-C10 VanDerWaalsContact SG-SG 3.65Å; C7-F11 WeakPolarHBondContact O-CA 3.45Å; C7-F11 PolarHBondContact O-N 3.1Å; C7-N12 PolarHBondContact N-O 3.07Å; C7-L20 HydrophobicContact CB-CD2 4.2Å; C7-C30 HydrophobicContact CB-CB 4.02Å; C7-C30 PolarHBondContact SG-N 3.45Å; C7-C33 VanDerWaalsContact SG-SG 3.65Å | ||
| 8 | N | 94.9 | Very high | 86.8 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.3 | -179.7 | -65.7 | 15.9 | 0 | 0 | 0 | 113.6 | V28 I29 I44 | N8-V28 WeakPolarHBondContact CB-O 3.46Å; N8-V28 PolarHBondContact N-O 3.32Å; N8-V28 PolarHBondContact ND2-N 2.9Å; N8-V28 PolarHBondContact OD1-O 3.27Å; N8-I29 HydrophobicContact CB-CD1 4.37Å; N8-I44 HydrophobicContact CB-CD1 4.03Å; N8-I44 HydrophobicContact CB-CG1 4.16Å |
| 9 | S | 94.4 | Very high | 87.1 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 33% | 0.329 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -46.6 | 178.8 | 166 | 0 | 0 | 0 | 0 | 112.4 | C7 M43 | C7-S9 PolarHBondContact O-N 3.24Å; S9-M43 PolarHBondContact OG-SD 2.85Å |
| 10 | C | 94.9 | Very high | 87.3 | Confident | 40 Ų | 40 | 78.2 Ų | 78.2 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 1.6 | -172.2 | 74.4 | 0 | 0 | 0 | 0 | 114 | C7 N12 C33 | C7-C10 VanDerWaalsContact CB-SG 3.6Å; C7-C10 VanDerWaalsContact SG-SG 3.65Å; C10-N12 PolarHBondContact O-N 3.46Å; C10-N12 PolarHBondContact O-ND2 2.95Å; C10-N12 PolarHBondContact SG-ND2 3.36Å; C10-N12 VanDerWaalsContact SG-ND2 3.37Å; C10-C33 VanDerWaalsContact SG-SG 3.66Å |
| 11 | F | 93.8 | Very high | 87.5 | Confident | 149 Ų | 149 | 75 Ų | 75 | 65% | 0.654 | 38% | 0.382 | S | S | * | . | trans | 54.8 | 7.7 | 179 | -58.7 | -81.1 | 0 | 0 | 0 | 116.5 | C7 | C7-F11 WeakPolarHBondContact O-CA 3.45Å; C7-F11 PolarHBondContact O-N 3.1Å | ||
| 12 | N | 93.1 | Very high | 89.2 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -73 | 138.8 | 174.8 | -70.4 | -53.6 | 0 | 0 | 0 | 110.8 | C7 C10 | C7-N12 PolarHBondContact N-O 3.07Å; C10-N12 PolarHBondContact O-N 3.46Å; C10-N12 PolarHBondContact O-ND2 2.95Å; C10-N12 PolarHBondContact SG-ND2 3.36Å; C10-N12 VanDerWaalsContact SG-ND2 3.37Å |
| 13 | L | 91.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 67.7 Ų | 67.7 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.4 | 175.1 | -71.4 | 113.8 | 0 | 0 | 0 | 112 | Y3 R18 | Y3-L13 WeakPolarHBondContact O-CD2 3.37Å; L13-R18 WeakPolarHBondContact O-CD 3.45Å |
| 14 | P | 89.7 | Confident | 91.5 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 145.6 | 171.9 | 26 | -32.7 | 0 | 0 | 0 | 111.4 | M1 I5 R18 L20 | M1-P14 HydrophobicContact CB-CG 4.16Å; M1-P14 HydrophobicContact SD-CB 3.71Å; M1-P14 HydrophobicContact SD-CG 3.95Å; I5-P14 WeakPolarHBondContact O-CD 3.5Å; P14-R18 WeakPolarHBondContact CA-O 3.5Å; P14-L20 HydrophobicContact CB-CD1 3.9Å; P14-L20 HydrophobicContact CB-CG 4.03Å; P14-L20 HydrophobicContact CG-CD1 3.97Å |
| 15 | G | 86.4 | Confident | 91.9 | Very high | 32 Ų | 32 | 60 Ų | 60 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -152 | -177.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D17 R18 | G15-D17 VanDerWaalsContact C-N 3.29Å; G15-D17 PolarHBondContact O-N 2.99Å; G15-R18 PolarHBondContact N-O 3.15Å; G15-R18 CarbonylContact O-C 3.37Å; G15-R18 PolarHBondContact O-N 2.88Å; G15-R18 VanDerWaalsContact O-O 3.13Å |
| 16 | P | 85.2 | Confident | 92 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 76% | 0.76 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -45.4 | -177.5 | -26.5 | 34.6 | 0 | 0 | 0 | 113.3 | ||
| 17 | D | 88.9 | Confident | 92.1 | Very high | 143 Ų | 143 | 62.1 Ų | 62.1 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -5.9 | -179.2 | -54.7 | -47.1 | 0 | 0 | 0 | 113.3 | G15 N31 | G15-D17 VanDerWaalsContact C-N 3.29Å; G15-D17 PolarHBondContact O-N 2.99Å; D17-N31 PolarHBondContact O-ND2 2.95Å; D17-N31 PolarHBondContact O-OD1 3.03Å |
| 18 | R | 90.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -120.2 | 84.4 | -175.2 | -165.8 | 178.6 | -66.4 | -92.2 | 2 | 110.2 | L13 P14 G15 C30 N31 | L13-R18 WeakPolarHBondContact O-CD 3.45Å; P14-R18 WeakPolarHBondContact CA-O 3.5Å; G15-R18 PolarHBondContact N-O 3.15Å; G15-R18 CarbonylContact O-C 3.37Å; G15-R18 PolarHBondContact O-N 2.88Å; G15-R18 VanDerWaalsContact O-O 3.13Å; R18-C30 HydrophobicContact CG-CB 3.63Å; R18-C30 PolarHBondContact NH1-SG 3.39Å; R18-N31 WeakPolarHBondContact CA-OD1 3.39Å |
| 19 | K | 91.4 | Very high | 92.1 | Very high | 143 Ų | 143 | 60 Ų | 60 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | trans | -86.9 | 141.9 | 177.6 | -62 | 178.5 | -176.2 | 175.4 | 0 | 110.2 | C30 N31 | K19-C30 CarbonylContact O-C 3.54Å; K19-C30 VanDerWaalsContact O-CA 3.29Å; K19-C30 WeakPolarHBondContact O-CA 3.42Å; K19-N31 PolarHBondContact N-OD1 3.46Å; K19-N31 PolarHBondContact O-N 3.26Å | ||
| 20 | L | 92.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 151.6 | 177.2 | -63.7 | 176.5 | 0 | 0 | 0 | 111 | I5 C7 P14 V28 C30 L54 | I5-L20 HydrophobicContact CG2-CD1 3.64Å; C7-L20 HydrophobicContact CB-CD2 4.2Å; P14-L20 HydrophobicContact CB-CD1 3.9Å; P14-L20 HydrophobicContact CB-CG 4.03Å; P14-L20 HydrophobicContact CG-CD1 3.97Å; L20-V28 HydrophobicContact CB-CG1 4.03Å; L20-V28 HydrophobicContact CD1-CG1 3.97Å; L20-V28 HydrophobicContact CD2-CG1 4.19Å; L20-V28 HydrophobicContact CG-CG1 4.29Å; L20-C30 HydrophobicContact CD2-CB 3.86Å; L20-L54 HydrophobicContact CB-CD1 4.06Å; L20-L54 WeakPolarHBondContact O-CB 3.35Å; L20-L54 PolarHBondContact O-N 3.49Å |
| 21 | A | 91.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V28 I29 V51 T52 | A21-V28 CarbonylContact O-C 3.56Å; A21-V28 WeakPolarHBondContact O-CA 3.29Å; A21-I29 PolarHBondContact N-O 3.4Å; A21-I29 PolarHBondContact O-N 3.26Å; A21-V51 HydrophobicContact CB-CG1 3.42Å; A21-V51 VanDerWaalsContact CB-CG1 3.42Å; A21-T52 CarbonylContact C-O 3.58Å; A21-T52 WeakPolarHBondContact CA-O 3.34Å; A21-T52 WeakPolarHBondContact CB-O 3.48Å |
| 22 | V | 93.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.1 | 174.9 | 66 | 0 | 0 | 0 | 0 | 109.4 | T52 L54 F66 | V22-T52 PolarHBondContact N-O 3.47Å; V22-T52 PolarHBondContact O-N 2.9Å; V22-L54 HydrophobicContact CB-CD2 4.18Å; V22-L54 HydrophobicContact CG1-CD2 3.82Å; V22-F66 HydrophobicContact CB-CZ 4.15Å; V22-F66 HydrophobicContact CG2-CZ 4.11Å |
| 23 | T | 93.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 158.5 | 176 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | C25 G26 H27 I29 Q50 V51 | T23-C25 PolarHBondContact O-N 2.73Å; T23-C25 VanDerWaalsContact O-N 3.17Å; T23-C25 PolarHBondContact OG1-SG 3.39Å; T23-G26 PolarHBondContact O-N 3.46Å; T23-H27 PolarHBondContact N-O 3.48Å; T23-H27 WeakPolarHBondContact OG1-CA 3.46Å; T23-H27 WeakPolarHBondContact OG1-CB 3.37Å; T23-H27 PolarHBondContact OG1-N 3.07Å; T23-H27 PolarHBondContact OG1-O 2.96Å; T23-I29 HydrophobicContact CG2-CG1 4.38Å; T23-Q50 CarbonylContact C-O 3.51Å; T23-Q50 VanDerWaalsContact CA-O 3.27Å; T23-Q50 WeakPolarHBondContact CA-O 3.49Å; T23-V51 HydrophobicContact CG2-CG2 3.7Å |
| 24 | T | 93.1 | Very high | 91.8 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.7 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | G26 C49 Q50 | T24-G26 VanDerWaalsContact C-N 3.28Å; T24-C49 WeakPolarHBondContact OG1-CA 3.39Å; T24-C49 WeakPolarHBondContact OG1-CB 3.39Å; T24-Q50 HydrophobicContact CG2-CB 3.73Å; T24-Q50 HydrophobicContact CG2-CG 4.36Å; T24-Q50 PolarHBondContact N-O 3.38Å; T24-Q50 PolarHBondContact OG1-N 3.47Å |
| 25 | C | 94.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.4 | 172.1 | 63.1 | 0 | 0 | 0 | 0 | 113.7 | T23 H27 C49 | T23-C25 PolarHBondContact O-N 2.73Å; T23-C25 VanDerWaalsContact O-N 3.17Å; T23-C25 PolarHBondContact OG1-SG 3.39Å; C25-H27 PolarHBondContact SG-ND1 3.45Å; C25-C49 PolarHBondContact SG-SG 3.41Å |
| 26 | G | 92.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 52% | 0.515 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 89.5 | -2.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | T23 T24 | T23-G26 PolarHBondContact O-N 3.46Å; T24-G26 VanDerWaalsContact C-N 3.28Å |
| 27 | H | 94.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | trans | -76 | 137.9 | 176.1 | -64 | 108.9 | 0 | 0 | 0 | 111.9 | T23 C25 I29 C42 I44 | T23-H27 PolarHBondContact N-O 3.48Å; T23-H27 WeakPolarHBondContact OG1-CA 3.46Å; T23-H27 WeakPolarHBondContact OG1-CB 3.37Å; T23-H27 PolarHBondContact OG1-N 3.07Å; T23-H27 PolarHBondContact OG1-O 2.96Å; C25-H27 PolarHBondContact SG-ND1 3.45Å; H27-I29 HydrophobicContact CB-CD1 4.41Å; H27-I29 HydrophobicContact CB-CG1 4.45Å; H27-C42 PolarHBondContact ND1-SG 3.49Å; H27-C42 VanDerWaalsContact ND1-SG 3.43Å; H27-I44 HydrophobicContact CB-CB 4.36Å; H27-I44 HydrophobicContact CB-CG1 3.94Å; H27-I44 WeakPolarHBondContact NE2-CG2 3.46Å | ||
| 28 | V | 94.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.3 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I5 N8 L20 A21 L54 F66 | I5-V28 HydrophobicContact CG2-CG1 4.27Å; N8-V28 WeakPolarHBondContact CB-O 3.46Å; N8-V28 PolarHBondContact N-O 3.32Å; N8-V28 PolarHBondContact ND2-N 2.9Å; N8-V28 PolarHBondContact OD1-O 3.27Å; L20-V28 HydrophobicContact CB-CG1 4.03Å; L20-V28 HydrophobicContact CD1-CG1 3.97Å; L20-V28 HydrophobicContact CD2-CG1 4.19Å; L20-V28 HydrophobicContact CG-CG1 4.29Å; A21-V28 CarbonylContact O-C 3.56Å; A21-V28 WeakPolarHBondContact O-CA 3.29Å; V28-L54 HydrophobicContact CG1-CD1 4.45Å; V28-F66 HydrophobicContact CG2-CE1 3.8Å; V28-F66 HydrophobicContact CG2-CZ 4.26Å |
| 29 | I | 94.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.4 | -172.5 | -53.7 | -64.3 | 0 | 0 | 0 | 110 | N8 A21 T23 H27 C33 F34 I44 | N8-I29 HydrophobicContact CB-CD1 4.37Å; A21-I29 PolarHBondContact N-O 3.4Å; A21-I29 PolarHBondContact O-N 3.26Å; T23-I29 HydrophobicContact CG2-CG1 4.38Å; H27-I29 HydrophobicContact CB-CD1 4.41Å; H27-I29 HydrophobicContact CB-CG1 4.45Å; I29-C33 HydrophobicContact CG2-CB 3.47Å; I29-C33 VanDerWaalsContact CG2-CB 3.47Å; I29-F34 HydrophobicContact CG2-CB 4.28Å; I29-I44 HydrophobicContact CD1-CD1 3.68Å; I29-I44 HydrophobicContact CD1-CG1 3.5Å; I29-I44 VanDerWaalsContact CD1-CG1 3.5Å |
| 30 | C | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 155.3 | 173.7 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | C7 R18 K19 L20 V32 C33 F34 | C7-C30 HydrophobicContact CB-CB 4.02Å; C7-C30 PolarHBondContact SG-N 3.45Å; R18-C30 HydrophobicContact CG-CB 3.63Å; R18-C30 PolarHBondContact NH1-SG 3.39Å; K19-C30 CarbonylContact O-C 3.54Å; K19-C30 VanDerWaalsContact O-CA 3.29Å; K19-C30 WeakPolarHBondContact O-CA 3.42Å; L20-C30 HydrophobicContact CD2-CB 3.86Å; C30-V32 PolarHBondContact O-N 2.96Å; C30-V32 VanDerWaalsContact O-N 3.16Å; C30-C33 PolarHBondContact O-N 3.08Å; C30-C33 PolarHBondContact SG-N 3.03Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C30-F34 PolarHBondContact O-N 2.94Å |
| 31 | N | 92.1 | Very high | 90.9 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -48.3 | -40 | 175.2 | 60.3 | -30 | 0 | 0 | 0 | 113.9 | D17 R18 K19 F34 Q35 | D17-N31 PolarHBondContact O-ND2 2.95Å; D17-N31 PolarHBondContact O-OD1 3.03Å; R18-N31 WeakPolarHBondContact CA-OD1 3.39Å; K19-N31 PolarHBondContact N-OD1 3.46Å; K19-N31 PolarHBondContact O-N 3.26Å; N31-F34 PolarHBondContact O-N 3.41Å; N31-Q35 WeakPolarHBondContact O-CG 3.4Å; N31-Q35 PolarHBondContact O-N 3.33Å |
| 32 | V | 93.5 | Very high | 90.9 | Very high | 51 Ų | 51 | 58.9 Ų | 58.9 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | C30 | C30-V32 PolarHBondContact O-N 2.96Å; C30-V32 VanDerWaalsContact O-N 3.16Å |
| 33 | C | 92.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 176 | -77 | 0 | 0 | 0 | 0 | 110.6 | C7 C10 I29 C30 Q35 K36 A37 M43 | C7-C33 VanDerWaalsContact SG-SG 3.65Å; C10-C33 VanDerWaalsContact SG-SG 3.66Å; I29-C33 HydrophobicContact CG2-CB 3.47Å; I29-C33 VanDerWaalsContact CG2-CB 3.47Å; C30-C33 PolarHBondContact O-N 3.08Å; C30-C33 PolarHBondContact SG-N 3.03Å; C30-C33 VanDerWaalsContact SG-SG 3.63Å; C33-Q35 VanDerWaalsContact C-N 3.33Å; C33-Q35 PolarHBondContact O-N 3.43Å; C33-K36 PolarHBondContact O-N 2.84Å; C33-K36 VanDerWaalsContact O-N 3.11Å; C33-A37 PolarHBondContact O-N 2.87Å; C33-M43 HydrophobicContact CB-CE 4.47Å; C33-M43 HydrophobicContact CB-SD 3.55Å; C33-M43 VanDerWaalsContact CB-SD 3.55Å; C33-M43 WeakPolarHBondContact O-CE 3.38Å |
| 34 | F | 89.4 | Confident | 90.7 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 178 | 179.2 | -110.5 | 0 | 0 | 0 | 112.5 | I29 C30 N31 K36 A37 V51 | I29-F34 HydrophobicContact CG2-CB 4.28Å; C30-F34 PolarHBondContact O-N 2.94Å; N31-F34 PolarHBondContact O-N 3.41Å; F34-K36 PolarHBondContact O-N 3.45Å; F34-A37 PolarHBondContact O-N 3.29Å; F34-A37 VanDerWaalsContact O-N 3.14Å; F34-V51 HydrophobicContact CD2-CB 4.33Å; F34-V51 HydrophobicContact CD2-CG1 4.06Å; F34-V51 HydrophobicContact CD2-CG2 3.95Å; F34-V51 HydrophobicContact CE2-CB 3.81Å; F34-V51 HydrophobicContact CE2-CG1 4.02Å; F34-V51 HydrophobicContact CE2-CG2 3.45Å; F34-V51 VanDerWaalsContact CE2-CG2 3.45Å; F34-V51 HydrophobicContact CZ-CB 4.25Å; F34-V51 HydrophobicContact CZ-CG2 4.3Å |
| 35 | Q | 88.9 | Confident | 90.8 | Very high | 156 Ų | 156 | 60.7 Ų | 60.7 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -22.1 | 177 | -75.4 | 174.4 | -10.4 | 0 | 0 | 114.3 | N31 C33 | N31-Q35 WeakPolarHBondContact O-CG 3.4Å; N31-Q35 PolarHBondContact O-N 3.33Å; C33-Q35 VanDerWaalsContact C-N 3.33Å; C33-Q35 PolarHBondContact O-N 3.43Å |
| 36 | K | 88.8 | Confident | 90.6 | Very high | 162 Ų | 162 | 63.9 Ų | 63.9 | 70% | 0.704 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -85.9 | -13.9 | 176.9 | -71.8 | 177.6 | -177.2 | -171.2 | 0 | 112.9 | C33 F34 M43 | C33-K36 PolarHBondContact O-N 2.84Å; C33-K36 VanDerWaalsContact O-N 3.11Å; F34-K36 PolarHBondContact O-N 3.45Å; K36-M43 HydrophobicContact CB-CE 3.64Å |
| 37 | A | 85.1 | Confident | 90.6 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 21% | 0.207 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -84.7 | 158.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C33 F34 M43 | C33-A37 PolarHBondContact O-N 2.87Å; F34-A37 PolarHBondContact O-N 3.29Å; F34-A37 VanDerWaalsContact O-N 3.14Å; A37-M43 HydrophobicContact CB-CB 4.23Å; A37-M43 HydrophobicContact CB-CE 4.06Å |
| 38 | N | 84.7 | Confident | 90.5 | Very high | 112 Ų | 112 | 70.1 Ų | 70.1 | 60% | 0.599 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 147.8 | 167 | -62.4 | -32.7 | 0 | 0 | 0 | 110.3 | G40 E41 | N38-G40 PolarHBondContact O-N 2.99Å; N38-E41 HydrophobicContact CB-CB 4.31Å; N38-E41 HydrophobicContact CB-CG 4.33Å; N38-E41 VanDerWaalsContact CB-OE2 3.31Å; N38-E41 WeakPolarHBondContact CB-OE2 3.39Å; N38-E41 PolarHBondContact ND2-OE2 3.08Å; N38-E41 PolarHBondContact O-N 3.22Å; N38-E41 VanDerWaalsContact O-N 3.14Å |
| 39 | Q | 84.4 | Confident | 90.4 | Very high | 196 Ų | 196 | 70 Ų | 70 | 92% | 0.916 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 120.9 | -176.7 | -165.1 | 168.4 | 24.7 | 0 | 0 | 111.2 | ||
| 40 | G | 82.8 | Confident | 90.1 | Very high | 32 Ų | 32 | 76.9 Ų | 76.9 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 9.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | N38 K48 C49 | N38-G40 PolarHBondContact O-N 2.99Å; G40-K48 CarbonylContact O-C 3.49Å; G40-K48 VanDerWaalsContact O-CA 3.28Å; G40-K48 WeakPolarHBondContact O-CA 3.37Å; G40-C49 PolarHBondContact O-N 3.26Å |
| 41 | E | 89.5 | Confident | 89.9 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 143.4 | 176.8 | -66.2 | -178.5 | 169.6 | 0 | 0 | 111.8 | N38 | N38-E41 HydrophobicContact CB-CB 4.31Å; N38-E41 HydrophobicContact CB-CG 4.33Å; N38-E41 VanDerWaalsContact CB-OE2 3.31Å; N38-E41 WeakPolarHBondContact CB-OE2 3.39Å; N38-E41 PolarHBondContact ND2-OE2 3.08Å; N38-E41 PolarHBondContact O-N 3.22Å; N38-E41 VanDerWaalsContact O-N 3.14Å |
| 42 | C | 91.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.014 | 41% | 0.414 | C | S | . | . | trans | -78.1 | 125 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | H27 I44 N46 A47 C49 | H27-C42 PolarHBondContact ND1-SG 3.49Å; H27-C42 VanDerWaalsContact ND1-SG 3.43Å; C42-I44 PolarHBondContact O-N 3.28Å; C42-I44 VanDerWaalsContact O-N 3.09Å; C42-N46 WeakPolarHBondContact O-CA 3.48Å; C42-N46 PolarHBondContact O-N 3.03Å; C42-A47 PolarHBondContact N-O 3.47Å; C42-C49 HydrophobicContact CB-CB 4.19Å | ||
| 43 | M | 89.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.1 | 178.3 | 176.6 | 166.1 | -84.5 | 0 | 0 | 114.9 | S9 C33 K36 A37 | S9-M43 PolarHBondContact OG-SD 2.85Å; C33-M43 HydrophobicContact CB-CE 4.47Å; C33-M43 HydrophobicContact CB-SD 3.55Å; C33-M43 VanDerWaalsContact CB-SD 3.55Å; C33-M43 WeakPolarHBondContact O-CE 3.38Å; K36-M43 HydrophobicContact CB-CE 3.64Å; A37-M43 HydrophobicContact CB-CB 4.23Å; A37-M43 HydrophobicContact CB-CE 4.06Å |
| 44 | I | 93.2 | Very high | 89.4 | Confident | 64 Ų | 64 | 82 Ų | 82 | 33% | 0.328 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -46.8 | -176.7 | -50.5 | -59.5 | 0 | 0 | 0 | 111.7 | N8 H27 I29 C42 | N8-I44 HydrophobicContact CB-CD1 4.03Å; N8-I44 HydrophobicContact CB-CG1 4.16Å; H27-I44 HydrophobicContact CB-CB 4.36Å; H27-I44 HydrophobicContact CB-CG1 3.94Å; H27-I44 WeakPolarHBondContact NE2-CG2 3.46Å; I29-I44 HydrophobicContact CD1-CD1 3.68Å; I29-I44 HydrophobicContact CD1-CG1 3.5Å; I29-I44 VanDerWaalsContact CD1-CG1 3.5Å; C42-I44 PolarHBondContact O-N 3.28Å; C42-I44 VanDerWaalsContact O-N 3.09Å |
| 45 | C | 94.1 | Very high | 89.1 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -0.2 | -174.1 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | A47 | C45-A47 PolarHBondContact O-N 3.36Š|
| 46 | N | 90.8 | Very high | 88.7 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | trans | 57.1 | 13.4 | -177.5 | -56.1 | -30.4 | 0 | 0 | 0 | 115 | C42 | C42-N46 WeakPolarHBondContact O-CA 3.48Å; C42-N46 PolarHBondContact O-N 3.03Å | ||
| 47 | A | 92.3 | Very high | 88.4 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 36% | 0.355 | 44% | 0.441 | S | S | . | . | trans | -76.2 | 146.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | C42 C45 C49 | C42-A47 PolarHBondContact N-O 3.47Å; C45-A47 PolarHBondContact O-N 3.36Å; A47-C49 PolarHBondContact O-N 2.97Å; A47-C49 VanDerWaalsContact O-N 3.16Å; A47-C49 PolarHBondContact O-SG 3.19Å | ||
| 48 | K | 93.4 | Very high | 88.5 | Confident | 183 Ų | 183 | 81.7 Ų | 81.7 | 80% | 0.796 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -62.7 | 115.5 | 169.8 | -67 | -174.4 | 179.9 | -177.8 | 0 | 109.6 | G40 | G40-K48 CarbonylContact O-C 3.49Å; G40-K48 VanDerWaalsContact O-CA 3.28Å; G40-K48 WeakPolarHBondContact O-CA 3.37Å |
| 49 | C | 91.9 | Very high | 88.7 | Confident | 10 Ų | 10 | 79.5 Ų | 79.5 | 7% | 0.068 | 43% | 0.43 | C | S | . | . | trans | -135.7 | 142.7 | -173.1 | -68 | 0 | 0 | 0 | 0 | 111.7 | T24 C25 G40 C42 A47 | T24-C49 WeakPolarHBondContact OG1-CA 3.39Å; T24-C49 WeakPolarHBondContact OG1-CB 3.39Å; C25-C49 PolarHBondContact SG-SG 3.41Å; G40-C49 PolarHBondContact O-N 3.26Å; C42-C49 HydrophobicContact CB-CB 4.19Å; A47-C49 PolarHBondContact O-N 2.97Å; A47-C49 VanDerWaalsContact O-N 3.16Å; A47-C49 PolarHBondContact O-SG 3.19Å | ||
| 50 | Q | 89.7 | Confident | 88.8 | Confident | 149 Ų | 149 | 74.3 Ų | 74.3 | 70% | 0.696 | 42% | 0.421 | S | S | * | . | trans | -79.6 | 142.5 | 162.7 | -57.1 | -179.4 | 27.9 | 0 | 0 | 108.6 | T23 T24 | T23-Q50 CarbonylContact C-O 3.51Å; T23-Q50 VanDerWaalsContact CA-O 3.27Å; T23-Q50 WeakPolarHBondContact CA-O 3.49Å; T24-Q50 HydrophobicContact CG2-CB 3.73Å; T24-Q50 HydrophobicContact CG2-CG 4.36Å; T24-Q50 PolarHBondContact N-O 3.38Å; T24-Q50 PolarHBondContact OG1-N 3.47Å | ||
| 51 | V | 88.4 | Confident | 88.9 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.3 | -178.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | A21 T23 F34 | A21-V51 HydrophobicContact CB-CG1 3.42Å; A21-V51 VanDerWaalsContact CB-CG1 3.42Å; T23-V51 HydrophobicContact CG2-CG2 3.7Å; F34-V51 HydrophobicContact CD2-CB 4.33Å; F34-V51 HydrophobicContact CD2-CG1 4.06Å; F34-V51 HydrophobicContact CD2-CG2 3.95Å; F34-V51 HydrophobicContact CE2-CB 3.81Å; F34-V51 HydrophobicContact CE2-CG1 4.02Å; F34-V51 HydrophobicContact CE2-CG2 3.45Å; F34-V51 VanDerWaalsContact CE2-CG2 3.45Å; F34-V51 HydrophobicContact CZ-CB 4.25Å; F34-V51 HydrophobicContact CZ-CG2 4.3Å |
| 52 | T | 89.8 | Confident | 88.8 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 46% | 0.46 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.3 | -178.1 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | A21 V22 L54 | A21-T52 CarbonylContact C-O 3.58Å; A21-T52 WeakPolarHBondContact CA-O 3.34Å; A21-T52 WeakPolarHBondContact CB-O 3.48Å; V22-T52 PolarHBondContact N-O 3.47Å; V22-T52 PolarHBondContact O-N 2.9Å; T52-L54 PolarHBondContact O-N 3Å |
| 53 | P | 89.6 | Confident | 88.6 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 132.2 | 176.6 | -24.3 | 34.2 | 0 | 0 | 0 | 112 | S55 S58 | P53-S55 PolarHBondContact O-N 3.36Å; P53-S58 PolarHBondContact O-OG 2.8Å |
| 54 | L | 88.6 | Confident | 88.4 | Confident | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.126 | 46% | 0.463 | C | S | . | . | trans | -77.6 | 108.3 | 168.4 | -61 | 179.2 | 0 | 0 | 0 | 107.3 | L20 V22 V28 T52 V62 F66 | L20-L54 HydrophobicContact CB-CD1 4.06Å; L20-L54 WeakPolarHBondContact O-CB 3.35Å; L20-L54 PolarHBondContact O-N 3.49Å; V22-L54 HydrophobicContact CB-CD2 4.18Å; V22-L54 HydrophobicContact CG1-CD2 3.82Å; V28-L54 HydrophobicContact CG1-CD1 4.45Å; T52-L54 PolarHBondContact O-N 3Å; L54-V62 HydrophobicContact CD2-CG1 4.15Å; L54-F66 HydrophobicContact CD1-CD1 3.91Å; L54-F66 HydrophobicContact CD1-CD2 3.94Å; L54-F66 HydrophobicContact CD1-CE1 3.92Å; L54-F66 HydrophobicContact CD1-CE2 3.99Å; L54-F66 HydrophobicContact CD1-CG 3.91Å; L54-F66 HydrophobicContact CD1-CZ 3.97Å; L54-F66 HydrophobicContact CD2-CD2 3.59Å; L54-F66 HydrophobicContact CD2-CE2 3.43Å; L54-F66 VanDerWaalsContact CD2-CE2 3.43Å; L54-F66 HydrophobicContact CD2-CG 4.38Å; L54-F66 HydrophobicContact CD2-CZ 4.08Å; L54-F66 HydrophobicContact CG-CD2 4.42Å; L54-F66 HydrophobicContact CG-CE2 4.37Å | ||
| 55 | S | 84.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 85.9 Ų | 85.9 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -146.4 | 175.1 | -174.8 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | P53 K57 S58 K63 | P53-S55 PolarHBondContact O-N 3.36Å; S55-K57 PolarHBondContact O-N 3.39Å; S55-K57 PolarHBondContact OG-N 3.19Å; S55-S58 PolarHBondContact N-OG 3.35Å; S55-S58 VanDerWaalsContact N-OG 3.14Å; S55-S58 WeakPolarHBondContact O-CB 3.43Å; S55-S58 PolarHBondContact O-N 3.07Å; S55-S58 PolarHBondContact O-OG 2.92Å; S55-S58 VanDerWaalsContact O-OG 3.09Å; S55-K63 WeakPolarHBondContact O-CE 3.38Å |
| 56 | D | 79.6 | Confident | 87.8 | Confident | 151 Ų | 151 | 85.1 Ų | 85.1 | 81% | 0.807 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.2 | 173.7 | -59.8 | -40.1 | 0 | 0 | 0 | 113.4 | K63 | D56-K63 WeakPolarHBondContact O-CE 3.31Å; D56-K63 PolarHBondContact O-NZ 2.95Å |
| 57 | K | 83.1 | Confident | 87.6 | Confident | 198 Ų | 198 | 81.6 Ų | 81.6 | 86% | 0.861 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.6 | 174.4 | -60.1 | -175.2 | -179.7 | -178.5 | 0 | 113.6 | S55 | S55-K57 PolarHBondContact O-N 3.39Å; S55-K57 PolarHBondContact OG-N 3.19Å |
| 58 | S | 86.9 | Confident | 87.4 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 12% | 0.119 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -63.6 | 150.3 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | P53 S55 K63 | P53-S58 PolarHBondContact O-OG 2.8Å; S55-S58 PolarHBondContact N-OG 3.35Å; S55-S58 VanDerWaalsContact N-OG 3.14Å; S55-S58 WeakPolarHBondContact O-CB 3.43Å; S55-S58 PolarHBondContact O-N 3.07Å; S55-S58 PolarHBondContact O-OG 2.92Å; S55-S58 VanDerWaalsContact O-OG 3.09Å; S58-K63 WeakPolarHBondContact O-CE 3.27Å |
| 59 | S | 88.1 | Confident | 87.2 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 46% | 0.462 | 44% | 0.435 | S | S | . | . | trans | -61.6 | 156.9 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | E61 V62 K63 | S59-E61 PolarHBondContact O-N 2.87Å; S59-V62 PolarHBondContact O-N 3.25Å; S59-V62 WeakPolarHBondContact OG-CG2 3.43Å; S59-V62 PolarHBondContact OG-N 3.42Å; S59-K63 WeakPolarHBondContact O-CB 3.36Å; S59-K63 WeakPolarHBondContact O-CG 3.31Å; S59-K63 PolarHBondContact O-N 2.96Å | ||
| 60 | A | 87.1 | Confident | 87.2 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 72% | 0.719 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A64 | A60-A64 WeakPolarHBondContact O-CB 3.35Å; A60-A64 PolarHBondContact O-N 3.18Å |
| 61 | E | 85.4 | Confident | 87.1 | Confident | 159 Ų | 159 | 78.1 Ų | 78.1 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.9 | -48.2 | 177.5 | -174.5 | 175.6 | -169.3 | 0 | 0 | 111.7 | S59 K63 A64 L65 | S59-E61 PolarHBondContact O-N 2.87Å; E61-K63 VanDerWaalsContact C-N 3.33Å; E61-K63 PolarHBondContact O-N 3.45Å; E61-A64 WeakPolarHBondContact O-CB 3.45Å; E61-A64 PolarHBondContact O-N 2.89Å; E61-A64 VanDerWaalsContact O-N 3.15Å; E61-L65 PolarHBondContact O-N 2.95Å |
| 62 | V | 86.7 | Confident | 87.2 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L54 S59 A64 L65 F66 | L54-V62 HydrophobicContact CD2-CG1 4.15Å; S59-V62 PolarHBondContact O-N 3.25Å; S59-V62 WeakPolarHBondContact OG-CG2 3.43Å; S59-V62 PolarHBondContact OG-N 3.42Å; V62-A64 VanDerWaalsContact C-N 3.27Å; V62-A64 PolarHBondContact O-N 3.39Å; V62-L65 WeakPolarHBondContact O-CB 3.48Å; V62-L65 PolarHBondContact O-N 3.43Å; V62-F66 HydrophobicContact CG1-CD2 4.26Å; V62-F66 HydrophobicContact CG1-CE2 4.07Å; V62-F66 VanDerWaalsContact O-CD2 3.23Å; V62-F66 WeakPolarHBondContact O-CD2 3.47Å |
| 63 | K | 86.7 | Confident | 87.4 | Confident | 80 Ų | 80 | 76.4 Ų | 76.4 | 35% | 0.348 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 175.6 | -75.2 | 178.1 | 174.6 | 176.5 | 0 | 112.3 | S55 D56 S58 S59 E61 L65 F66 S67 | S55-K63 WeakPolarHBondContact O-CE 3.38Å; D56-K63 WeakPolarHBondContact O-CE 3.31Å; D56-K63 PolarHBondContact O-NZ 2.95Å; S58-K63 WeakPolarHBondContact O-CE 3.27Å; S59-K63 WeakPolarHBondContact O-CB 3.36Å; S59-K63 WeakPolarHBondContact O-CG 3.31Å; S59-K63 PolarHBondContact O-N 2.96Å; E61-K63 VanDerWaalsContact C-N 3.33Å; E61-K63 PolarHBondContact O-N 3.45Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.37Å; K63-F66 CarbonylContact O-C 3.51Å; K63-F66 PolarHBondContact O-N 2.69Å; K63-S67 WeakPolarHBondContact O-CB 3.32Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-S67 PolarHBondContact O-OG 3.19Å |
| 64 | A | 86.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 76.5 Ų | 76.5 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | A60 E61 V62 F66 S67 | A60-A64 WeakPolarHBondContact O-CB 3.35Å; A60-A64 PolarHBondContact O-N 3.18Å; E61-A64 WeakPolarHBondContact O-CB 3.45Å; E61-A64 PolarHBondContact O-N 2.89Å; E61-A64 VanDerWaalsContact O-N 3.15Å; V62-A64 VanDerWaalsContact C-N 3.27Å; V62-A64 PolarHBondContact O-N 3.39Å; A64-F66 PolarHBondContact O-N 2.95Å; A64-S67 PolarHBondContact O-N 3.41Å |
| 65 | L | 86.9 | Confident | 87.8 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -29.9 | 176.8 | -61.8 | 175.3 | 0 | 0 | 0 | 113.2 | W4 E61 V62 K63 | W4-L65 WeakPolarHBondContact CZ2-O 3.35Å; E61-L65 PolarHBondContact O-N 2.95Å; V62-L65 WeakPolarHBondContact O-CB 3.48Å; V62-L65 PolarHBondContact O-N 3.43Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 PolarHBondContact O-N 3.37Å |
| 66 | F | 87.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 84.9 Ų | 84.9 | 18% | 0.184 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 7.3 | -178.9 | -60.6 | -73.3 | 0 | 0 | 0 | 113.2 | S2 I5 V22 V28 L54 V62 K63 A64 | S2-F66 PolarHBondContact OG-O 3.16Å; I5-F66 HydrophobicContact CD1-CB 3.7Å; I5-F66 HydrophobicContact CD1-CD1 3.83Å; I5-F66 HydrophobicContact CD1-CG 4.26Å; I5-F66 WeakPolarHBondContact CD1-O 3.45Å; I5-F66 HydrophobicContact CG1-CD1 4.45Å; I5-F66 HydrophobicContact CG2-CD1 4.31Å; V22-F66 HydrophobicContact CB-CZ 4.15Å; V22-F66 HydrophobicContact CG2-CZ 4.11Å; V28-F66 HydrophobicContact CG2-CE1 3.8Å; V28-F66 HydrophobicContact CG2-CZ 4.26Å; L54-F66 HydrophobicContact CD1-CD1 3.91Å; L54-F66 HydrophobicContact CD1-CD2 3.94Å; L54-F66 HydrophobicContact CD1-CE1 3.92Å; L54-F66 HydrophobicContact CD1-CE2 3.99Å; L54-F66 HydrophobicContact CD1-CG 3.91Å; L54-F66 HydrophobicContact CD1-CZ 3.97Å; L54-F66 HydrophobicContact CD2-CD2 3.59Å; L54-F66 HydrophobicContact CD2-CE2 3.43Å; L54-F66 VanDerWaalsContact CD2-CE2 3.43Å; L54-F66 HydrophobicContact CD2-CG 4.38Å; L54-F66 HydrophobicContact CD2-CZ 4.08Å; L54-F66 HydrophobicContact CG-CD2 4.42Å; L54-F66 HydrophobicContact CG-CE2 4.37Å; V62-F66 HydrophobicContact CG1-CD2 4.26Å; V62-F66 HydrophobicContact CG1-CE2 4.07Å; V62-F66 VanDerWaalsContact O-CD2 3.23Å; V62-F66 WeakPolarHBondContact O-CD2 3.47Å; K63-F66 CarbonylContact O-C 3.51Å; K63-F66 PolarHBondContact O-N 2.69Å; A64-F66 PolarHBondContact O-N 2.95Å |
| 67 | S | 86.7 | Confident | 89.2 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -80.6 | 169.5 | 176.8 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | S2 K63 A64 I69 | S2-S67 PolarHBondContact OG-O 2.9Å; K63-S67 WeakPolarHBondContact O-CB 3.32Å; K63-S67 PolarHBondContact O-N 3.09Å; K63-S67 PolarHBondContact O-OG 3.19Å; A64-S67 PolarHBondContact O-N 3.41Å; S67-I69 PolarHBondContact O-N 3.07Å |
| 68 | D | 88.4 | Confident | 89.8 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | trans | -66.1 | 133.8 | 174.8 | 174.1 | 70.3 | 0 | 0 | 0 | 110.4 | S2 N70 S71 V72 | S2-D68 PolarHBondContact OG-N 3.48Å; D68-N70 VanDerWaalsContact C-N 3.27Å; D68-N70 PolarHBondContact O-N 3.31Å; D68-N70 WeakPolarHBondContact OD2-CA 3.46Å; D68-N70 WeakPolarHBondContact OD2-CB 3.48Å; D68-N70 PolarHBondContact OD2-N 3.33Å; D68-N70 PolarHBondContact OD2-ND2 2.92Å; D68-S71 WeakPolarHBondContact O-CB 3.49Å; D68-S71 PolarHBondContact O-N 2.81Å; D68-S71 VanDerWaalsContact O-N 3.13Å; D68-S71 PolarHBondContact O-OG 3.49Å; D68-S71 PolarHBondContact OD2-N 3.37Å; D68-V72 WeakPolarHBondContact O-CG2 3.43Å; D68-V72 PolarHBondContact O-N 3.45Å; D68-V72 VanDerWaalsContact O-N 3.07Å | ||
| 69 | I | 89.3 | Confident | 90.3 | Very high | 109 Ų | 109 | 80.1 Ų | 80.1 | 56% | 0.559 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -36.7 | -175.6 | -172 | 60.9 | 0 | 0 | 0 | 111.9 | S67 V72 A73 | S67-I69 PolarHBondContact O-N 3.07Å; I69-V72 PolarHBondContact O-N 2.9Å; I69-A73 VanDerWaalsContact O-CB 3.23Å; I69-A73 WeakPolarHBondContact O-CB 3.47Å; I69-A73 PolarHBondContact O-N 3.48Å |
| 70 | N | 90.5 | Very high | 90.8 | Very high | 96 Ų | 96 | 81.5 Ų | 81.5 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.6 | -52.9 | -65.8 | 0 | 0 | 0 | 109.8 | D68 V72 A73 T74 | D68-N70 VanDerWaalsContact C-N 3.27Å; D68-N70 PolarHBondContact O-N 3.31Å; D68-N70 WeakPolarHBondContact OD2-CA 3.46Å; D68-N70 WeakPolarHBondContact OD2-CB 3.48Å; D68-N70 PolarHBondContact OD2-N 3.33Å; D68-N70 PolarHBondContact OD2-ND2 2.92Å; N70-V72 VanDerWaalsContact C-N 3.34Å; N70-V72 PolarHBondContact O-N 3.31Å; N70-A73 PolarHBondContact O-N 2.91Å; N70-T74 VanDerWaalsContact O-CB 3.29Å; N70-T74 WeakPolarHBondContact O-CB 3.48Å; N70-T74 PolarHBondContact O-N 3.43Å; N70-T74 PolarHBondContact O-OG1 2.94Å |
| 71 | S | 89.4 | Confident | 91.4 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 176.2 | 77.7 | 0 | 0 | 0 | 0 | 113 | D68 K75 | D68-S71 WeakPolarHBondContact O-CB 3.49Å; D68-S71 PolarHBondContact O-N 2.81Å; D68-S71 VanDerWaalsContact O-N 3.13Å; D68-S71 PolarHBondContact O-OG 3.49Å; D68-S71 PolarHBondContact OD2-N 3.37Å; S71-K75 WeakPolarHBondContact O-CB 3.36Å; S71-K75 PolarHBondContact O-N 3.12Å; S71-K75 VanDerWaalsContact O-N 3.11Å |
| 72 | V | 90.2 | Very high | 92 | Very high | 36 Ų | 36 | 78.5 Ų | 78.5 | 22% | 0.218 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.8 | -47.8 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | D68 I69 N70 K75 H76 | D68-V72 WeakPolarHBondContact O-CG2 3.43Å; D68-V72 PolarHBondContact O-N 3.45Å; D68-V72 VanDerWaalsContact O-N 3.07Å; I69-V72 PolarHBondContact O-N 2.9Å; N70-V72 VanDerWaalsContact C-N 3.34Å; N70-V72 PolarHBondContact O-N 3.31Å; V72-K75 PolarHBondContact O-N 2.98Å; V72-H76 PolarHBondContact O-CD2 3.3Å; V72-H76 PolarHBondContact O-N 3Å; V72-H76 VanDerWaalsContact O-N 3.1Å |
| 73 | A | 93.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 80 Ų | 80 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I69 N70 K75 H76 L77 | I69-A73 VanDerWaalsContact O-CB 3.23Å; I69-A73 WeakPolarHBondContact O-CB 3.47Å; I69-A73 PolarHBondContact O-N 3.48Å; N70-A73 PolarHBondContact O-N 2.91Å; A73-K75 VanDerWaalsContact C-N 3.29Å; A73-K75 PolarHBondContact O-N 3.35Å; A73-H76 PolarHBondContact O-N 2.66Å; A73-L77 VanDerWaalsContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 VanDerWaalsContact O-CG 3.23Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 3.02Å |
| 74 | T | 95.2 | Very high | 93.1 | Very high | 85 Ų | 85 | 80.9 Ų | 80.9 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 177.9 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | N70 T78 | N70-T74 VanDerWaalsContact O-CB 3.29Å; N70-T74 WeakPolarHBondContact O-CB 3.48Å; N70-T74 PolarHBondContact O-N 3.43Å; N70-T74 PolarHBondContact O-OG1 2.94Å; T74-T78 VanDerWaalsContact O-CB 3.23Å; T74-T78 WeakPolarHBondContact O-CB 3.41Å; T74-T78 PolarHBondContact O-N 3.13Å; T74-T78 PolarHBondContact O-OG1 3.46Å |
| 75 | K | 92.7 | Very high | 93.7 | Very high | 144 Ų | 144 | 82.9 Ų | 82.9 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59 | -51.7 | 177.1 | -176.7 | -178 | 177.9 | -176.7 | 0 | 111.4 | S71 V72 A73 T78 E79 | S71-K75 WeakPolarHBondContact O-CB 3.36Å; S71-K75 PolarHBondContact O-N 3.12Å; S71-K75 VanDerWaalsContact O-N 3.11Å; V72-K75 PolarHBondContact O-N 2.98Å; A73-K75 VanDerWaalsContact C-N 3.29Å; A73-K75 PolarHBondContact O-N 3.35Å; K75-T78 PolarHBondContact O-N 3.05Å; K75-E79 PolarHBondContact O-N 2.99Å |
| 76 | H | 94 | Very high | 94.2 | Very high | 111 Ų | 111 | 83.6 Ų | 83.6 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | -178.8 | -71.8 | -65.2 | 0 | 0 | 0 | 112.8 | V72 A73 T78 E79 I80 | V72-H76 PolarHBondContact O-CD2 3.3Å; V72-H76 PolarHBondContact O-N 3Å; V72-H76 VanDerWaalsContact O-N 3.1Å; A73-H76 PolarHBondContact O-N 2.66Å; H76-T78 VanDerWaalsContact C-N 3.27Å; H76-T78 PolarHBondContact O-N 3.49Å; H76-E79 PolarHBondContact O-N 3.38Å; H76-I80 WeakPolarHBondContact O-CG1 3.36Å; H76-I80 PolarHBondContact O-N 3.28Å |
| 77 | L | 97.5 | Very high | 94.7 | Very high | 106 Ų | 106 | 86.5 Ų | 86.5 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 177.1 | -71.3 | 173 | 0 | 0 | 0 | 112.1 | A73 S81 | A73-L77 VanDerWaalsContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 VanDerWaalsContact O-CG 3.23Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 3.02Å; L77-S81 VanDerWaalsContact O-CB 3.23Å; L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.12Å; L77-S81 PolarHBondContact O-OG 3.46Å |
| 78 | T | 97.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | T74 K75 H76 S81 K82 | T74-T78 VanDerWaalsContact O-CB 3.23Å; T74-T78 WeakPolarHBondContact O-CB 3.41Å; T74-T78 PolarHBondContact O-N 3.13Å; T74-T78 PolarHBondContact O-OG1 3.46Å; K75-T78 PolarHBondContact O-N 3.05Å; H76-T78 VanDerWaalsContact C-N 3.27Å; H76-T78 PolarHBondContact O-N 3.49Å; T78-S81 PolarHBondContact O-N 3.39Å; T78-K82 WeakPolarHBondContact O-CG 3.48Å; T78-K82 PolarHBondContact O-N 2.92Å |
| 79 | E | 97.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.5 | -68.6 | -52.9 | 132 | 0 | 0 | 112 | K75 H76 S81 K82 V83 | K75-E79 PolarHBondContact O-N 2.99Å; H76-E79 PolarHBondContact O-N 3.38Å; E79-S81 VanDerWaalsContact C-N 3.31Å; E79-S81 PolarHBondContact O-N 3.04Å; E79-K82 WeakPolarHBondContact O-CB 3.38Å; E79-K82 PolarHBondContact O-N 3.24Å; E79-K82 IonicContact OE1-NZ 2.72Å; E79-K82 PolarHBondContact OE1-NZ 3.43Å; E79-K82 IonicContact OE2-NZ 3.82Å; E79-V83 PolarHBondContact O-N 2.91Å |
| 80 | I | 98.2 | Very high | 96.2 | Very high | 95 Ų | 95 | 91.2 Ų | 91.2 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.8 | -67.3 | 166.2 | 0 | 0 | 0 | 110.3 | H76 K82 V83 L84 | H76-I80 WeakPolarHBondContact O-CG1 3.36Å; H76-I80 PolarHBondContact O-N 3.28Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.29Å; I80-V83 WeakPolarHBondContact O-CB 3.49Å; I80-V83 PolarHBondContact O-N 3.31Å; I80-V83 VanDerWaalsContact O-N 3.14Å; I80-L84 HydrophobicContact CG2-CD1 3.99Å; I80-L84 HydrophobicContact CG2-CG 4.3Å; I80-L84 WeakPolarHBondContact O-CG 3.24Å; I80-L84 PolarHBondContact O-N 3.02Å |
| 81 | S | 98.4 | Very high | 96.6 | Very high | 69 Ų | 69 | 92.4 Ų | 92.4 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | L77 T78 E79 L84 L85 | L77-S81 VanDerWaalsContact O-CB 3.23Å; L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.12Å; L77-S81 PolarHBondContact O-OG 3.46Å; T78-S81 PolarHBondContact O-N 3.39Å; E79-S81 VanDerWaalsContact C-N 3.31Å; E79-S81 PolarHBondContact O-N 3.04Å; S81-L84 PolarHBondContact O-N 3.14Å; S81-L85 WeakPolarHBondContact O-CB 3.42Å; S81-L85 PolarHBondContact O-N 2.93Å |
| 82 | K | 98.4 | Very high | 97.1 | Very high | 114 Ų | 114 | 97.1 Ų | 97.1 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.5 | -71.7 | 170.7 | -176.5 | 169.4 | 0 | 111.7 | T78 E79 I80 L85 F86 | T78-K82 WeakPolarHBondContact O-CG 3.48Å; T78-K82 PolarHBondContact O-N 2.92Å; E79-K82 WeakPolarHBondContact O-CB 3.38Å; E79-K82 PolarHBondContact O-N 3.24Å; E79-K82 IonicContact OE1-NZ 2.72Å; E79-K82 PolarHBondContact OE1-NZ 3.43Å; E79-K82 IonicContact OE2-NZ 3.82Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.29Å; K82-L85 PolarHBondContact O-N 2.87Å; K82-F86 WeakPolarHBondContact O-CB 3.49Å; K82-F86 PolarHBondContact O-N 3.44Å |
| 83 | V | 98.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 177.8 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | E79 I80 L85 F86 Q87 | E79-V83 PolarHBondContact O-N 2.91Å; I80-V83 WeakPolarHBondContact O-CB 3.49Å; I80-V83 PolarHBondContact O-N 3.31Å; I80-V83 VanDerWaalsContact O-N 3.14Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 3.33Å; V83-F86 WeakPolarHBondContact O-CB 3.5Å; V83-F86 PolarHBondContact O-N 3.4Å; V83-Q87 HydrophobicContact CG1-CG 4.43Å; V83-Q87 WeakPolarHBondContact O-CG 3.36Å; V83-Q87 PolarHBondContact O-N 3.28Å |
| 84 | L | 98.5 | Very high | 97.7 | Very high | 99 Ų | 99 | 104.9 Ų | 104.9 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 178.4 | -69 | 175.9 | 0 | 0 | 0 | 111.7 | I80 S81 F86 Q87 A88 | I80-L84 HydrophobicContact CG2-CD1 3.99Å; I80-L84 HydrophobicContact CG2-CG 4.3Å; I80-L84 WeakPolarHBondContact O-CG 3.24Å; I80-L84 PolarHBondContact O-N 3.02Å; S81-L84 PolarHBondContact O-N 3.14Å; L84-F86 VanDerWaalsContact C-N 3.34Å; L84-F86 PolarHBondContact O-N 3Å; L84-Q87 PolarHBondContact O-N 3.05Å; L84-A88 WeakPolarHBondContact O-CB 3.42Å; L84-A88 PolarHBondContact O-N 2.96Å |
| 85 | L | 98.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.3 | -176.2 | 60.6 | 0 | 0 | 0 | 112 | S81 K82 V83 R89 | S81-L85 WeakPolarHBondContact O-CB 3.42Å; S81-L85 PolarHBondContact O-N 2.93Å; K82-L85 PolarHBondContact O-N 2.87Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 3.33Å; L85-R89 HydrophobicContact CD1-CG 4.5Å; L85-R89 WeakPolarHBondContact O-CB 3.4Å; L85-R89 VanDerWaalsContact O-CG 3.24Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 2.99Å |
| 86 | F | 98.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 100.8 Ų | 100.8 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 174.3 | 171.6 | -95 | 0 | 0 | 0 | 111.4 | K82 V83 L84 A88 R89 H90 | K82-F86 WeakPolarHBondContact O-CB 3.49Å; K82-F86 PolarHBondContact O-N 3.44Å; V83-F86 WeakPolarHBondContact O-CB 3.5Å; V83-F86 PolarHBondContact O-N 3.4Å; L84-F86 VanDerWaalsContact C-N 3.34Å; L84-F86 PolarHBondContact O-N 3Å; F86-A88 PolarHBondContact O-N 2.93Å; F86-R89 PolarHBondContact O-N 3.23Å; F86-H90 WeakPolarHBondContact O-CB 3.35Å; F86-H90 PolarHBondContact O-N 3.37Å |
| 87 | Q | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 179 | -71.7 | 174.7 | -13.6 | 0 | 0 | 111.4 | V83 L84 R89 H90 Q91 | V83-Q87 HydrophobicContact CG1-CG 4.43Å; V83-Q87 WeakPolarHBondContact O-CG 3.36Å; V83-Q87 PolarHBondContact O-N 3.28Å; L84-Q87 PolarHBondContact O-N 3.05Å; Q87-R89 PolarHBondContact O-N 3.47Å; Q87-H90 PolarHBondContact O-N 2.91Å; Q87-Q91 WeakPolarHBondContact O-CB 3.32Å; Q87-Q91 PolarHBondContact O-N 3.03Å |
| 88 | A | 98.5 | Very high | 98.4 | Very high | 52 Ų | 52 | 97.2 Ų | 97.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L84 F86 H90 Q91 K92 | L84-A88 WeakPolarHBondContact O-CB 3.42Å; L84-A88 PolarHBondContact O-N 2.96Å; F86-A88 PolarHBondContact O-N 2.93Å; A88-H90 PolarHBondContact O-N 3.12Å; A88-Q91 PolarHBondContact O-N 3.49Å; A88-K92 WeakPolarHBondContact O-CB 3.34Å; A88-K92 PolarHBondContact O-N 2.88Å |
| 89 | R | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 99.8 Ų | 99.8 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 175.6 | -73.5 | 174.7 | -175.4 | 179.4 | 1.4 | 111.8 | L85 F86 Q87 R93 | L85-R89 HydrophobicContact CD1-CG 4.5Å; L85-R89 WeakPolarHBondContact O-CB 3.4Å; L85-R89 VanDerWaalsContact O-CG 3.24Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 2.99Å; F86-R89 PolarHBondContact O-N 3.23Å; Q87-R89 PolarHBondContact O-N 3.47Å; R89-R93 WeakPolarHBondContact O-CG 3.4Å; R89-R93 PolarHBondContact O-N 3.38Å; R89-R93 VanDerWaalsContact O-N 3.15Å; R89-R93 PolarHBondContact O-NH1 3.43Å |
| 90 | H | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 101.4 Ų | 101.4 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 177.8 | -179.6 | 62.2 | 0 | 0 | 0 | 111.6 | F86 Q87 A88 K92 R93 L94 | F86-H90 WeakPolarHBondContact O-CB 3.35Å; F86-H90 PolarHBondContact O-N 3.37Å; Q87-H90 PolarHBondContact O-N 2.91Å; A88-H90 PolarHBondContact O-N 3.12Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 2.84Å; H90-R93 PolarHBondContact O-N 2.96Å; H90-R93 VanDerWaalsContact O-N 3.12Å; H90-L94 PolarHBondContact O-N 3.22Å |
| 91 | Q | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.9 | -44.2 | 175.5 | -174.7 | 179.9 | 0 | 0 | 0 | 111.4 | Q87 A88 R93 L94 L95 | Q87-Q91 WeakPolarHBondContact O-CB 3.32Å; Q87-Q91 PolarHBondContact O-N 3.03Å; A88-Q91 PolarHBondContact O-N 3.49Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 3.48Å; Q91-L94 PolarHBondContact O-N 3.15Å; Q91-L95 HydrophobicContact CG-CD1 4.2Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 3.01Å |
| 92 | K | 98.7 | Very high | 98.6 | Very high | 162 Ų | 162 | 105.4 Ų | 105.4 | 70% | 0.704 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.4 | -44.2 | 175.8 | -174.2 | 175 | -178.3 | 176 | 0 | 112.4 | A88 H90 L95 A96 | A88-K92 WeakPolarHBondContact O-CB 3.34Å; A88-K92 PolarHBondContact O-N 2.88Å; H90-K92 VanDerWaalsContact C-N 3.3Å; H90-K92 PolarHBondContact O-N 2.84Å; K92-L95 PolarHBondContact O-N 3.17Å; K92-A96 WeakPolarHBondContact O-CB 3.11Å; K92-A96 PolarHBondContact O-N 3.42Å |
| 93 | R | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 106 Ų | 106 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.2 | -70.9 | -169.1 | -57.4 | -82.9 | 6.1 | 112.1 | R89 H90 Q91 A96 H97 | R89-R93 WeakPolarHBondContact O-CG 3.4Å; R89-R93 PolarHBondContact O-N 3.38Å; R89-R93 VanDerWaalsContact O-N 3.15Å; R89-R93 PolarHBondContact O-NH1 3.43Å; H90-R93 PolarHBondContact O-N 2.96Å; H90-R93 VanDerWaalsContact O-N 3.12Å; Q91-R93 VanDerWaalsContact C-N 3.35Å; Q91-R93 PolarHBondContact O-N 3.48Å; R93-A96 PolarHBondContact O-N 2.85Å; R93-H97 WeakPolarHBondContact O-CB 3.49Å; R93-H97 PolarHBondContact O-N 3.48Å |
| 94 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 109.3 Ų | 109.3 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.6 | 179.1 | 61.5 | 0 | 0 | 0 | 112 | H90 Q91 H97 S98 | H90-L94 PolarHBondContact O-N 3.22Å; Q91-L94 PolarHBondContact O-N 3.15Å; L94-H97 PolarHBondContact O-N 3.43Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 2.91Å; L94-S98 PolarHBondContact O-OG 3.5Å |
| 95 | L | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 109.5 Ų | 109.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 176.3 | -70.1 | 173.2 | 0 | 0 | 0 | 111.2 | Q91 K92 H97 S98 Q99 | Q91-L95 HydrophobicContact CG-CD1 4.2Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 3.01Å; K92-L95 PolarHBondContact O-N 3.17Å; L95-H97 PolarHBondContact O-N 3.17Å; L95-S98 PolarHBondContact O-N 3.5Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L95-Q99 WeakPolarHBondContact O-CG 3.35Å; L95-Q99 PolarHBondContact O-N 2.87Å |
| 96 | A | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K92 R93 S98 Q99 Q100 | K92-A96 WeakPolarHBondContact O-CB 3.11Å; K92-A96 PolarHBondContact O-N 3.42Å; R93-A96 PolarHBondContact O-N 2.85Å; A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 3.3Å; A96-Q99 PolarHBondContact O-N 3.3Å; A96-Q100 WeakPolarHBondContact O-CB 3.39Å; A96-Q100 PolarHBondContact O-N 2.94Å |
| 97 | H | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 109.8 Ų | 109.8 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175 | 170.6 | -91.8 | 0 | 0 | 0 | 112.1 | R93 L94 L95 Q100 R101 | R93-H97 WeakPolarHBondContact O-CB 3.49Å; R93-H97 PolarHBondContact O-N 3.48Å; L94-H97 PolarHBondContact O-N 3.43Å; L95-H97 PolarHBondContact O-N 3.17Å; H97-Q100 PolarHBondContact O-N 3.41Å; H97-R101 WeakPolarHBondContact O-CB 3.44Å; H97-R101 PolarHBondContact O-N 3.46Å |
| 98 | S | 98.4 | Very high | 98.6 | Very high | 36 Ų | 36 | 108.7 Ų | 108.7 | 25% | 0.252 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 179.9 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L94 L95 A96 R101 N102 | L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 2.91Å; L94-S98 PolarHBondContact O-OG 3.5Å; L95-S98 PolarHBondContact O-N 3.5Å; L95-S98 VanDerWaalsContact O-N 3.14Å; A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 3.3Å; S98-R101 PolarHBondContact O-N 3.21Å; S98-N102 VanDerWaalsContact O-CG 3.23Å; S98-N102 PolarHBondContact O-N 3Å; S98-N102 PolarHBondContact O-OD1 3.23Å |
| 99 | Q | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 173.5 | -74.5 | 171.5 | -26.3 | 0 | 0 | 111.3 | L95 A96 R101 N102 E103 | L95-Q99 WeakPolarHBondContact O-CG 3.35Å; L95-Q99 PolarHBondContact O-N 2.87Å; A96-Q99 PolarHBondContact O-N 3.3Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.98Å; Q99-N102 WeakPolarHBondContact O-CB 3.23Å; Q99-N102 PolarHBondContact O-N 2.95Å; Q99-E103 WeakPolarHBondContact O-CG 3.23Å; Q99-E103 PolarHBondContact O-N 3.18Å |
| 100 | Q | 98.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 108.9 Ų | 108.9 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | 178.3 | -174.7 | -176.2 | 5.5 | 0 | 0 | 112.4 | A96 H97 N102 K104 | A96-Q100 WeakPolarHBondContact O-CB 3.39Å; A96-Q100 PolarHBondContact O-N 2.94Å; H97-Q100 PolarHBondContact O-N 3.41Å; Q100-N102 VanDerWaalsContact C-N 3.34Å; Q100-K104 WeakPolarHBondContact O-CB 3.33Å; Q100-K104 PolarHBondContact O-N 3.42Å |
| 101 | R | 98.4 | Very high | 98.5 | Very high | 157 Ų | 157 | 109.3 Ų | 109.3 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -39.6 | 176.4 | -171.4 | -178.3 | 66.9 | -178.8 | 0.2 | 111.6 | H97 S98 Q99 K104 L105 | H97-R101 WeakPolarHBondContact O-CB 3.44Å; H97-R101 PolarHBondContact O-N 3.46Å; S98-R101 PolarHBondContact O-N 3.21Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.98Å; R101-K104 PolarHBondContact O-N 3.2Å; R101-L105 PolarHBondContact O-N 3.4Å |
| 102 | N | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 109.3 Ų | 109.3 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 177.5 | -69.4 | -4.8 | 0 | 0 | 0 | 111.2 | S98 Q99 Q100 K104 L105 E106 | S98-N102 VanDerWaalsContact O-CG 3.23Å; S98-N102 PolarHBondContact O-N 3Å; S98-N102 PolarHBondContact O-OD1 3.23Å; Q99-N102 WeakPolarHBondContact O-CB 3.23Å; Q99-N102 PolarHBondContact O-N 2.95Å; Q100-N102 VanDerWaalsContact C-N 3.34Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.27Å; N102-L105 PolarHBondContact O-N 3.14Å; N102-L105 VanDerWaalsContact O-N 3.12Å; N102-E106 WeakPolarHBondContact O-CB 3.4Å; N102-E106 PolarHBondContact O-N 3.37Å |
| 103 | E | 98.6 | Very high | 98.5 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.7 | -43.4 | 175.3 | -71.1 | 169.2 | -174.6 | 0 | 0 | 111.4 | Q99 L105 E106 E107 | Q99-E103 WeakPolarHBondContact O-CG 3.23Å; Q99-E103 PolarHBondContact O-N 3.18Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 3.43Å; E103-E106 PolarHBondContact O-N 3Å; E103-E107 PolarHBondContact O-N 2.72Å |
| 104 | K | 98.4 | Very high | 98.5 | Very high | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 176.5 | -171.8 | 173.8 | -176.2 | 176.2 | 0 | 112.4 | Q100 R101 N102 E107 V108 | Q100-K104 WeakPolarHBondContact O-CB 3.33Å; Q100-K104 PolarHBondContact O-N 3.42Å; R101-K104 PolarHBondContact O-N 3.2Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.27Å; K104-E107 PolarHBondContact O-N 3.46Å; K104-V108 WeakPolarHBondContact O-CG2 3.48Å; K104-V108 PolarHBondContact O-N 2.95Å; K104-V108 VanDerWaalsContact O-N 3.13Å |
| 105 | L | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -176.1 | 61.8 | 0 | 0 | 0 | 111 | R101 N102 E103 V108 L109 | R101-L105 PolarHBondContact O-N 3.4Å; N102-L105 PolarHBondContact O-N 3.14Å; N102-L105 VanDerWaalsContact O-N 3.12Å; E103-L105 VanDerWaalsContact C-N 3.34Å; E103-L105 PolarHBondContact O-N 3.43Å; L105-V108 PolarHBondContact O-N 3.29Å; L105-L109 HydrophobicContact CG-CD1 4.34Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.5Å; L105-L109 PolarHBondContact O-N 2.91Å |
| 106 | E | 98.5 | Very high | 98.4 | Very high | 123 Ų | 123 | 109.9 Ų | 109.9 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.6 | -171.3 | 170.9 | -167.1 | 0 | 0 | 111.6 | N102 E103 V108 L109 L110 | N102-E106 WeakPolarHBondContact O-CB 3.4Å; N102-E106 PolarHBondContact O-N 3.37Å; E103-E106 PolarHBondContact O-N 3Å; E106-V108 VanDerWaalsContact C-N 3.35Å; E106-V108 PolarHBondContact O-N 3.32Å; E106-L109 PolarHBondContact O-N 3Å; E106-L110 WeakPolarHBondContact O-CG 3.23Å; E106-L110 PolarHBondContact O-N 2.94Å |
| 107 | E | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 112.6 Ų | 112.6 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.8 | -166.5 | -163.7 | 150.6 | 0 | 0 | 112.1 | E103 K104 L110 K111 | E103-E107 PolarHBondContact O-N 2.72Å; K104-E107 PolarHBondContact O-N 3.46Å; E107-L110 PolarHBondContact O-N 3.11Å; E107-K111 PolarHBondContact O-N 3.22Å; E107-K111 WeakPolarHBondContact OE1-CE 3.29Å; E107-K111 IonicContact OE1-NZ 2.66Å; E107-K111 PolarHBondContact OE1-NZ 3.42Å |
| 108 | V | 98.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 112.8 Ų | 112.8 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | K104 L105 E106 L110 K111 M112 | K104-V108 WeakPolarHBondContact O-CG2 3.48Å; K104-V108 PolarHBondContact O-N 2.95Å; K104-V108 VanDerWaalsContact O-N 3.13Å; L105-V108 PolarHBondContact O-N 3.29Å; E106-V108 VanDerWaalsContact C-N 3.35Å; E106-V108 PolarHBondContact O-N 3.32Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.38Å; V108-K111 PolarHBondContact O-N 3.29Å; V108-M112 WeakPolarHBondContact O-CB 3.49Å; V108-M112 PolarHBondContact O-N 3Å |
| 109 | L | 98.6 | Very high | 98.3 | Very high | 96 Ų | 96 | 116.2 Ų | 116.2 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -40.7 | 177.1 | -74.3 | 173.6 | 0 | 0 | 0 | 111.9 | L105 E106 M112 K113 | L105-L109 HydrophobicContact CG-CD1 4.34Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.5Å; L105-L109 PolarHBondContact O-N 2.91Å; E106-L109 PolarHBondContact O-N 3Å; L109-M112 PolarHBondContact O-N 2.98Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 PolarHBondContact O-N 3.37Å |
| 110 | L | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 113.7 Ų | 113.7 | 56% | 0.56 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 176.2 | -72.2 | 173.6 | 0 | 0 | 0 | 111.8 | E106 E107 V108 K113 Q114 | E106-L110 WeakPolarHBondContact O-CG 3.23Å; E106-L110 PolarHBondContact O-N 2.94Å; E107-L110 PolarHBondContact O-N 3.11Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.38Å; L110-K113 PolarHBondContact O-N 2.92Å; L110-Q114 PolarHBondContact O-N 2.87Å |
| 111 | K | 98.5 | Very high | 98.3 | Very high | 108 Ų | 108 | 113.9 Ų | 113.9 | 47% | 0.47 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.7 | -77.5 | 172.3 | 173.2 | 165.3 | 0 | 111.8 | E107 V108 K113 Q114 E115 | E107-K111 PolarHBondContact O-N 3.22Å; E107-K111 WeakPolarHBondContact OE1-CE 3.29Å; E107-K111 IonicContact OE1-NZ 2.66Å; E107-K111 PolarHBondContact OE1-NZ 3.42Å; V108-K111 PolarHBondContact O-N 3.29Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 2.76Å; K111-Q114 WeakPolarHBondContact O-CB 3.23Å; K111-Q114 PolarHBondContact O-N 3.1Å; K111-Q114 VanDerWaalsContact O-N 3.12Å; K111-E115 PolarHBondContact O-N 3.19Å |
| 112 | M | 98.3 | Very high | 98.2 | Very high | 120 Ų | 120 | 111.3 Ų | 111.3 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 178.7 | -168.1 | 168.9 | 90.5 | 0 | 0 | 111.9 | V108 L109 E115 M116 | V108-M112 WeakPolarHBondContact O-CB 3.49Å; V108-M112 PolarHBondContact O-N 3Å; L109-M112 PolarHBondContact O-N 2.98Å; M112-E115 PolarHBondContact O-N 3.23Å; M112-M116 VanDerWaalsContact O-CB 3.27Å; M112-M116 WeakPolarHBondContact O-CB 3.35Å; M112-M116 PolarHBondContact O-N 2.69Å |
| 113 | K | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 111 Ų | 111 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.7 | -175.7 | -179.6 | 178.5 | -178.9 | 0 | 111.8 | L109 L110 K111 M116 Q117 | L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 PolarHBondContact O-N 3.37Å; L110-K113 PolarHBondContact O-N 2.92Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 2.76Å; K113-M116 PolarHBondContact O-N 2.66Å; K113-Q117 VanDerWaalsContact O-CG 3.31Å; K113-Q117 WeakPolarHBondContact O-CG 3.33Å; K113-Q117 PolarHBondContact O-N 3.17Å |
| 114 | Q | 98.4 | Very high | 98.2 | Very high | 134 Ų | 134 | 108.5 Ų | 108.5 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 177.6 | -175 | 178.6 | 1.4 | 0 | 0 | 111.7 | L110 K111 Q117 Q118 | L110-Q114 PolarHBondContact O-N 2.87Å; K111-Q114 WeakPolarHBondContact O-CB 3.23Å; K111-Q114 PolarHBondContact O-N 3.1Å; K111-Q114 VanDerWaalsContact O-N 3.12Å; Q114-Q117 PolarHBondContact O-N 2.96Å; Q114-Q118 PolarHBondContact O-N 2.82Å |
| 115 | E | 97.8 | Very high | 98.1 | Very high | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 176.2 | -71.2 | 178.8 | 179.2 | 0 | 0 | 111.7 | K111 M112 Q117 Q118 M119 | K111-E115 PolarHBondContact O-N 3.19Å; M112-E115 PolarHBondContact O-N 3.23Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.29Å; E115-Q118 PolarHBondContact O-N 3.26Å; E115-M119 WeakPolarHBondContact O-CB 3.27Å; E115-M119 WeakPolarHBondContact O-CG 3.46Å; E115-M119 PolarHBondContact O-N 3.04Å |
| 116 | M | 98.1 | Very high | 98 | Very high | 128 Ų | 128 | 108.6 Ų | 108.6 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 175.9 | -177.3 | -177 | 69.6 | 0 | 0 | 111.7 | M112 K113 M119 S120 | M112-M116 VanDerWaalsContact O-CB 3.27Å; M112-M116 WeakPolarHBondContact O-CB 3.35Å; M112-M116 PolarHBondContact O-N 2.69Å; K113-M116 PolarHBondContact O-N 2.66Å; M116-M119 PolarHBondContact O-N 3.2Å; M116-S120 WeakPolarHBondContact O-CB 3.44Å; M116-S120 PolarHBondContact O-N 3.44Å |
| 117 | Q | 97.9 | Very high | 98 | Very high | 105 Ų | 105 | 107.3 Ų | 107.3 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.8 | -75.8 | 178.6 | -12.1 | 0 | 0 | 112 | K113 Q114 E115 S120 K121 | K113-Q117 VanDerWaalsContact O-CG 3.31Å; K113-Q117 WeakPolarHBondContact O-CG 3.33Å; K113-Q117 PolarHBondContact O-N 3.17Å; Q114-Q117 PolarHBondContact O-N 2.96Å; E115-Q117 VanDerWaalsContact C-N 3.34Å; E115-Q117 PolarHBondContact O-N 3.29Å; Q117-S120 PolarHBondContact O-N 3.41Å; Q117-K121 WeakPolarHBondContact O-CG 3.44Å; Q117-K121 PolarHBondContact O-N 3.19Å; Q117-K121 VanDerWaalsContact O-N 3.07Å |
| 118 | Q | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 106.3 Ų | 106.3 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.1 | -170.9 | -178 | 10.1 | 0 | 0 | 111.8 | Q114 E115 K121 K122 | Q114-Q118 PolarHBondContact O-N 2.82Å; E115-Q118 PolarHBondContact O-N 3.26Å; Q118-K121 PolarHBondContact O-N 3.33Å; Q118-K122 PolarHBondContact O-N 3.14Å; Q118-K122 VanDerWaalsContact O-N 3.16Å |
| 119 | M | 97.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 109.4 Ų | 109.4 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.2 | -73 | -60.8 | -68 | 0 | 0 | 111.6 | E115 M116 K121 K122 I123 | E115-M119 WeakPolarHBondContact O-CB 3.27Å; E115-M119 WeakPolarHBondContact O-CG 3.46Å; E115-M119 PolarHBondContact O-N 3.04Å; M116-M119 PolarHBondContact O-N 3.2Å; M119-K121 VanDerWaalsContact C-N 3.31Å; M119-K121 PolarHBondContact O-N 3.27Å; M119-K122 PolarHBondContact O-N 3.32Å; M119-I123 WeakPolarHBondContact O-CG1 3.23Å; M119-I123 PolarHBondContact O-N 3.15Å |
| 120 | S | 97.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 108.6 Ų | 108.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 175 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | M116 Q117 I123 T124 | M116-S120 WeakPolarHBondContact O-CB 3.44Å; M116-S120 PolarHBondContact O-N 3.44Å; Q117-S120 PolarHBondContact O-N 3.41Å; S120-I123 PolarHBondContact O-N 3.34Å; S120-T124 WeakPolarHBondContact O-CG2 3.39Å; S120-T124 PolarHBondContact O-N 2.67Å; S120-T124 PolarHBondContact O-OG1 3.33Å; S120-T124 VanDerWaalsContact O-OG1 3.09Å |
| 121 | K | 97.7 | Very high | 97.7 | Very high | 135 Ų | 135 | 105.7 Ų | 105.7 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -47.8 | 176.2 | -74.1 | 178.5 | -178.5 | -176.5 | 0 | 111.7 | Q117 Q118 M119 I123 T124 E125 | Q117-K121 WeakPolarHBondContact O-CG 3.44Å; Q117-K121 PolarHBondContact O-N 3.19Å; Q117-K121 VanDerWaalsContact O-N 3.07Å; Q118-K121 PolarHBondContact O-N 3.33Å; M119-K121 VanDerWaalsContact C-N 3.31Å; M119-K121 PolarHBondContact O-N 3.27Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 3.44Å; K121-T124 WeakPolarHBondContact CA-OG1 3.28Å; K121-T124 PolarHBondContact O-N 3.15Å; K121-T124 PolarHBondContact O-OG1 2.87Å; K121-E125 WeakPolarHBondContact O-CG 3.36Å; K121-E125 PolarHBondContact O-N 3.09Å |
| 122 | K | 97.7 | Very high | 97.6 | Very high | 102 Ų | 102 | 107.2 Ų | 107.2 | 44% | 0.443 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 177.4 | -69.9 | -179.1 | 179.7 | 177.5 | 0 | 112.2 | Q118 M119 E125 Q126 | Q118-K122 PolarHBondContact O-N 3.14Å; Q118-K122 VanDerWaalsContact O-N 3.16Å; M119-K122 PolarHBondContact O-N 3.32Å; K122-E125 PolarHBondContact O-N 3.27Å; K122-Q126 WeakPolarHBondContact O-CB 3.46Å; K122-Q126 WeakPolarHBondContact O-CG 3.49Å; K122-Q126 PolarHBondContact O-N 3.22Å |
| 123 | I | 98 | Very high | 97.5 | Very high | 86 Ų | 86 | 105.7 Ų | 105.7 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 176 | -70.1 | 168.2 | 0 | 0 | 0 | 110.4 | M119 S120 K121 E125 Q126 N127 | M119-I123 WeakPolarHBondContact O-CG1 3.23Å; M119-I123 PolarHBondContact O-N 3.15Å; S120-I123 PolarHBondContact O-N 3.34Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 3.44Å; I123-E125 PolarHBondContact O-N 3.2Å; I123-Q126 PolarHBondContact O-N 3.24Å; I123-N127 WeakPolarHBondContact O-CB 3.45Å; I123-N127 VanDerWaalsContact O-CG 3.23Å; I123-N127 PolarHBondContact O-N 2.99Å; I123-N127 PolarHBondContact O-ND2 3.2Å |
| 124 | T | 97.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 105 Ų | 105 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 177.4 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | S120 K121 N127 V128 | S120-T124 WeakPolarHBondContact O-CG2 3.39Å; S120-T124 PolarHBondContact O-N 2.67Å; S120-T124 PolarHBondContact O-OG1 3.33Å; S120-T124 VanDerWaalsContact O-OG1 3.09Å; K121-T124 WeakPolarHBondContact CA-OG1 3.28Å; K121-T124 PolarHBondContact O-N 3.15Å; K121-T124 PolarHBondContact O-OG1 2.87Å; T124-N127 PolarHBondContact O-N 3.07Å; T124-V128 VanDerWaalsContact O-CG2 3.31Å; T124-V128 WeakPolarHBondContact O-CG2 3.2Å; T124-V128 PolarHBondContact O-N 3.11Å |
| 125 | E | 96.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -45.4 | 176 | -73.5 | 167.3 | -171.6 | 0 | 0 | 111.6 | K121 K122 I123 V128 Y129 | K121-E125 WeakPolarHBondContact O-CG 3.36Å; K121-E125 PolarHBondContact O-N 3.09Å; K122-E125 PolarHBondContact O-N 3.27Å; I123-E125 PolarHBondContact O-N 3.2Å; E125-V128 PolarHBondContact O-N 2.94Å; E125-Y129 WeakPolarHBondContact O-CB 3.29Å; E125-Y129 PolarHBondContact O-N 3.35Å |
| 126 | Q | 97.4 | Very high | 96.9 | Very high | 126 Ų | 126 | 98.7 Ų | 98.7 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 175.4 | -75.3 | -176.5 | -26.7 | 0 | 0 | 111.8 | K122 I123 V128 Y129 I130 | K122-Q126 WeakPolarHBondContact O-CB 3.46Å; K122-Q126 WeakPolarHBondContact O-CG 3.49Å; K122-Q126 PolarHBondContact O-N 3.22Å; I123-Q126 PolarHBondContact O-N 3.24Å; Q126-V128 PolarHBondContact O-N 2.8Å; Q126-Y129 PolarHBondContact O-N 3.3Å; Q126-I130 VanDerWaalsContact O-CG1 3.29Å; Q126-I130 WeakPolarHBondContact O-CG1 3.46Å; Q126-I130 PolarHBondContact O-N 3.17Å |
| 127 | N | 97.4 | Very high | 96.7 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.2 | -73.9 | -17.7 | 0 | 0 | 0 | 112.1 | I123 T124 Y129 I130 A131 | I123-N127 WeakPolarHBondContact O-CB 3.45Å; I123-N127 VanDerWaalsContact O-CG 3.23Å; I123-N127 PolarHBondContact O-N 2.99Å; I123-N127 PolarHBondContact O-ND2 3.2Å; T124-N127 PolarHBondContact O-N 3.07Å; N127-Y129 VanDerWaalsContact C-N 3.32Å; N127-Y129 PolarHBondContact O-N 3.4Å; N127-I130 PolarHBondContact O-N 2.88Å; N127-A131 WeakPolarHBondContact O-CB 3.36Å; N127-A131 PolarHBondContact O-N 2.64Å |
| 128 | V | 97.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | T124 E125 Q126 K132 | T124-V128 VanDerWaalsContact O-CG2 3.31Å; T124-V128 WeakPolarHBondContact O-CG2 3.2Å; T124-V128 PolarHBondContact O-N 3.11Å; E125-V128 PolarHBondContact O-N 2.94Å; Q126-V128 PolarHBondContact O-N 2.8Å; V128-K132 WeakPolarHBondContact O-CG 3.33Å; V128-K132 PolarHBondContact O-N 3.39Å; V128-K132 VanDerWaalsContact O-N 3.07Å |
| 129 | Y | 97.2 | Very high | 95.8 | Very high | 145 Ų | 145 | 102.3 Ų | 102.3 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 177 | -179.8 | -107.1 | 0 | 0 | 0 | 112.3 | E125 Q126 N127 A131 K132 L133 | E125-Y129 WeakPolarHBondContact O-CB 3.29Å; E125-Y129 PolarHBondContact O-N 3.35Å; Q126-Y129 PolarHBondContact O-N 3.3Å; N127-Y129 VanDerWaalsContact C-N 3.32Å; N127-Y129 PolarHBondContact O-N 3.4Å; Y129-A131 PolarHBondContact O-N 2.96Å; Y129-K132 WeakPolarHBondContact O-CB 3.15Å; Y129-K132 PolarHBondContact O-N 3.23Å; Y129-L133 HydrophobicContact CD1-CD1 3.91Å; Y129-L133 HydrophobicContact CD1-CG 4.43Å; Y129-L133 HydrophobicContact CE1-CD1 3.31Å; Y129-L133 HydrophobicContact CE1-CG 4.01Å; Y129-L133 HydrophobicContact CE2-CD1 4.47Å; Y129-L133 HydrophobicContact CE2-CG 4.34Å; Y129-L133 PolarHBondContact O-N 2.88Å |
| 130 | I | 96.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 103.4 Ų | 103.4 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 175.2 | -69.7 | 165.8 | 0 | 0 | 0 | 110.2 | Q126 N127 K132 L133 E134 | Q126-I130 VanDerWaalsContact O-CG1 3.29Å; Q126-I130 WeakPolarHBondContact O-CG1 3.46Å; Q126-I130 PolarHBondContact O-N 3.17Å; N127-I130 PolarHBondContact O-N 2.88Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 2.86Å; I130-L133 PolarHBondContact O-N 2.89Å; I130-L133 VanDerWaalsContact O-N 3.08Å; I130-E134 HydrophobicContact CG2-CG 4.23Å; I130-E134 WeakPolarHBondContact O-CG 3.14Å; I130-E134 PolarHBondContact O-N 2.83Å |
| 131 | A | 96.7 | Very high | 94.7 | Very high | 46 Ų | 46 | 103.7 Ų | 103.7 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N127 Y129 S135 | N127-A131 WeakPolarHBondContact O-CB 3.36Å; N127-A131 PolarHBondContact O-N 2.64Å; Y129-A131 PolarHBondContact O-N 2.96Å; A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 3.41Å; A131-S135 PolarHBondContact O-OG 2.9Å |
| 132 | K | 96.2 | Very high | 93.8 | Very high | 139 Ų | 139 | 100 Ų | 100 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 174 | -76.3 | 177.7 | 179.9 | -178.9 | 0 | 112.2 | V128 Y129 I130 S135 T136 | V128-K132 WeakPolarHBondContact O-CG 3.33Å; V128-K132 PolarHBondContact O-N 3.39Å; V128-K132 VanDerWaalsContact O-N 3.07Å; Y129-K132 WeakPolarHBondContact O-CB 3.15Å; Y129-K132 PolarHBondContact O-N 3.23Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 2.86Å; K132-S135 PolarHBondContact O-N 2.7Å; K132-T136 PolarHBondContact O-N 2.99Å; K132-T136 PolarHBondContact O-OG1 2.99Å |
| 133 | L | 95.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 102.2 Ų | 102.2 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.3 | -73.3 | 179.9 | 0 | 0 | 0 | 111.6 | Y129 I130 T136 R137 | Y129-L133 HydrophobicContact CD1-CD1 3.91Å; Y129-L133 HydrophobicContact CD1-CG 4.43Å; Y129-L133 HydrophobicContact CE1-CD1 3.31Å; Y129-L133 HydrophobicContact CE1-CG 4.01Å; Y129-L133 HydrophobicContact CE2-CD1 4.47Å; Y129-L133 HydrophobicContact CE2-CG 4.34Å; Y129-L133 PolarHBondContact O-N 2.88Å; I130-L133 PolarHBondContact O-N 2.89Å; I130-L133 VanDerWaalsContact O-N 3.08Å; L133-T136 PolarHBondContact O-N 3.48Å; L133-R137 WeakPolarHBondContact O-CB 3.31Å; L133-R137 PolarHBondContact O-N 3.13Å |
| 134 | E | 94.5 | Very high | 91.2 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177.5 | -72.9 | 178.4 | 164.9 | 0 | 0 | 112.1 | I130 T136 R137 Q138 | I130-E134 HydrophobicContact CG2-CG 4.23Å; I130-E134 WeakPolarHBondContact O-CG 3.14Å; I130-E134 PolarHBondContact O-N 2.83Å; E134-T136 VanDerWaalsContact C-N 3.33Å; E134-T136 PolarHBondContact O-N 3.5Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-Q138 PolarHBondContact O-N 3.16Å |
| 135 | S | 94.3 | Very high | 89.6 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A131 K132 Q138 Q139 | A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 3.41Å; A131-S135 PolarHBondContact O-OG 2.9Å; K132-S135 PolarHBondContact O-N 2.7Å; S135-Q138 PolarHBondContact O-N 2.88Å; S135-Q139 WeakPolarHBondContact O-CG 3.18Å; S135-Q139 PolarHBondContact O-N 3.38Å |
| 136 | T | 93.8 | Very high | 87.8 | Confident | 66 Ų | 66 | 98 Ų | 98 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.8 | -54 | 0 | 0 | 0 | 0 | 111.3 | K132 L133 E134 Q139 Q140 | K132-T136 PolarHBondContact O-N 2.99Å; K132-T136 PolarHBondContact O-OG1 2.99Å; L133-T136 PolarHBondContact O-N 3.48Å; E134-T136 VanDerWaalsContact C-N 3.33Å; E134-T136 PolarHBondContact O-N 3.5Å; T136-Q139 PolarHBondContact O-N 3.14Å; T136-Q140 WeakPolarHBondContact O-CG 2.9Å; T136-Q140 PolarHBondContact O-N 3.18Å |
| 137 | R | 93.6 | Very high | 85.8 | Confident | 175 Ų | 175 | 97 Ų | 97 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 176.3 | -173 | -178.6 | 73.4 | 121.4 | -2.3 | 111.8 | L133 E134 Q140 S141 | L133-R137 WeakPolarHBondContact O-CB 3.31Å; L133-R137 PolarHBondContact O-N 3.13Å; E134-R137 PolarHBondContact O-N 3.34Å; R137-Q140 PolarHBondContact O-N 3.31Å; R137-S141 WeakPolarHBondContact O-CB 3.41Å; R137-S141 PolarHBondContact O-N 3.29Å; R137-S141 PolarHBondContact O-OG 2.93Å |
| 138 | Q | 90.4 | Very high | 83.7 | Confident | 123 Ų | 123 | 96.2 Ų | 96.2 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.8 | -83 | 170.2 | -16.2 | 0 | 0 | 111.6 | E134 S135 Q140 S141 A142 | E134-Q138 PolarHBondContact O-N 3.16Å; S135-Q138 PolarHBondContact O-N 2.88Å; Q138-Q140 PolarHBondContact O-N 3.35Å; Q138-S141 WeakPolarHBondContact CA-OG 3.41Å; Q138-S141 PolarHBondContact O-N 3.13Å; Q138-S141 PolarHBondContact O-OG 3.14Å; Q138-A142 PolarHBondContact O-N 3.26Å |
| 139 | Q | 87.9 | Confident | 81.5 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 175.8 | -72 | 176.8 | 10.6 | 0 | 0 | 112.8 | S135 T136 A142 K143 | S135-Q139 WeakPolarHBondContact O-CG 3.18Å; S135-Q139 PolarHBondContact O-N 3.38Å; T136-Q139 PolarHBondContact O-N 3.14Å; Q139-A142 PolarHBondContact O-N 3.49Å; Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 2.83Å; Q139-K143 VanDerWaalsContact O-N 3.08Å |
| 140 | Q | 86.8 | Confident | 79.1 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 175.3 | -75.1 | -179.8 | -2.9 | 0 | 0 | 112 | T136 R137 Q138 A142 K143 A144 | T136-Q140 WeakPolarHBondContact O-CG 2.9Å; T136-Q140 PolarHBondContact O-N 3.18Å; R137-Q140 PolarHBondContact O-N 3.31Å; Q138-Q140 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.02Å; Q140-K143 PolarHBondContact O-N 3.04Å; Q140-A144 WeakPolarHBondContact O-CB 3.46Å; Q140-A144 PolarHBondContact O-N 3.04Å |
| 141 | S | 85 | Confident | 76.8 | Confident | 72 Ų | 72 | 104.4 Ų | 104.4 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -38.2 | 176.9 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | R137 Q138 A144 A145 | R137-S141 WeakPolarHBondContact O-CB 3.41Å; R137-S141 PolarHBondContact O-N 3.29Å; R137-S141 PolarHBondContact O-OG 2.93Å; Q138-S141 WeakPolarHBondContact CA-OG 3.41Å; Q138-S141 PolarHBondContact O-N 3.13Å; Q138-S141 PolarHBondContact O-OG 3.14Å; S141-A144 PolarHBondContact O-N 3.16Å; S141-A145 WeakPolarHBondContact O-CB 3.15Å; S141-A145 PolarHBondContact O-N 2.85Å |
| 142 | A | 78.9 | Confident | 74.5 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.1 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q138 Q139 Q140 A145 S146 | Q138-A142 PolarHBondContact O-N 3.26Å; Q139-A142 PolarHBondContact O-N 3.49Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.02Å; A142-A145 PolarHBondContact O-N 3.33Å; A142-S146 PolarHBondContact O-N 2.85Å; A142-S146 VanDerWaalsContact O-N 3.1Å; A142-S146 PolarHBondContact O-OG 3.38Å; A142-S146 VanDerWaalsContact O-OG 3.07Å |
| 143 | K | 74.3 | Confident | 71.7 | Confident | 149 Ų | 149 | 112.3 Ų | 112.3 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -42.6 | 175.8 | -73.6 | 178.7 | 179.1 | -178.8 | 0 | 112.7 | Q139 Q140 S146 T147 | Q139-K143 WeakPolarHBondContact O-CG 3.37Å; Q139-K143 PolarHBondContact O-N 2.83Å; Q139-K143 VanDerWaalsContact O-N 3.08Å; Q140-K143 PolarHBondContact O-N 3.04Å; K143-S146 PolarHBondContact O-N 3.4Å; K143-T147 PolarHBondContact O-N 3.48Å; K143-T147 PolarHBondContact O-OG1 3.4Å |
| 144 | A | 67.4 | Low | 69.3 | Low | 62 Ų | 62 | 112.5 Ų | 112.5 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q140 S141 S146 T147 S148 | Q140-A144 WeakPolarHBondContact O-CB 3.46Å; Q140-A144 PolarHBondContact O-N 3.04Å; S141-A144 PolarHBondContact O-N 3.16Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-T147 PolarHBondContact O-N 3.16Å; A144-S148 PolarHBondContact O-N 2.92Å; A144-S148 VanDerWaalsContact O-N 3.07Å |
| 145 | A | 63.4 | Low | 67 | Low | 55 Ų | 55 | 117.1 Ų | 117.1 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.8 | -42.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | S141 A142 S148 | S141-A145 WeakPolarHBondContact O-CB 3.15Å; S141-A145 PolarHBondContact O-N 2.85Å; A142-A145 PolarHBondContact O-N 3.33Å; A145-S148 PolarHBondContact O-N 3Å; A145-S148 PolarHBondContact O-OG 3.07Å |
| 146 | S | 58.8 | Low | 64.6 | Low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.8 | -34.9 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 113.8 | A142 K143 A144 | A142-S146 PolarHBondContact O-N 2.85Å; A142-S146 VanDerWaalsContact O-N 3.1Å; A142-S146 PolarHBondContact O-OG 3.38Å; A142-S146 VanDerWaalsContact O-OG 3.07Å; K143-S146 PolarHBondContact O-N 3.4Å; A144-S146 VanDerWaalsContact C-N 3.35Å |
| 147 | T | 55.4 | Low | 61.8 | Low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74 | -28.4 | 176.5 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | K143 A144 Q149 | K143-T147 PolarHBondContact O-N 3.48Å; K143-T147 PolarHBondContact O-OG1 3.4Å; A144-T147 PolarHBondContact O-N 3.16Å; T147-Q149 VanDerWaalsContact C-N 3.3Å; T147-Q149 PolarHBondContact O-N 2.89Å |
| 148 | S | 54.4 | Low | 59.2 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.6 | -17.4 | 178 | 75.5 | 0 | 0 | 0 | 0 | 114.7 | A144 A145 L150 | A144-S148 PolarHBondContact O-N 2.92Å; A144-S148 VanDerWaalsContact O-N 3.07Å; A145-S148 PolarHBondContact O-N 3Å; A145-S148 PolarHBondContact O-OG 3.07Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 3.14Å |
| 149 | Q | 50.1 | Low | 56.8 | Low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -8 | 177.9 | -72.7 | -160.7 | -25.7 | 0 | 0 | 114.3 | T147 | T147-Q149 VanDerWaalsContact C-N 3.3Å; T147-Q149 PolarHBondContact O-N 2.89Å |
| 150 | L | 47.9 | Very low | 54.7 | Low | 154 Ų | 154 | 128 Ų | 128 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 4.2 | 179 | -91 | 155.7 | 0 | 0 | 0 | 114.6 | S148 | S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 3.14Å |
| 151 | N | 48.7 | Very low | 52.5 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -133.7 | 38.1 | 179.9 | -120.5 | 7.6 | 0 | 0 | 0 | 114.6 | ||
| 152 | R | 46.6 | Very low | 50.4 | Low | 234 Ų | 234 | 134.9 Ų | 134.9 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | trans | -138 | 82.2 | 165.7 | -87.6 | -168.8 | 178.2 | -125.9 | 0.8 | 112.5 | ||||
| 153 | S | 39.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -157.1 | 127.1 | 155 | -67.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 154 | S | 43.9 | Very low | 46.6 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | cis | -163.5 | 137.9 | 17.1 | -83.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 155 | H | 45.8 | Very low | 44.9 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | trans | -146 | 118.6 | 139.1 | -73.1 | -57.2 | 0 | 0 | 0 | 108.9 | ||||
| 156 | N | 43.3 | Very low | 43.6 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 146.7 | 172.1 | -77.2 | -30.3 | 0 | 0 | 0 | 110.9 | ||||
| 157 | A | 36.8 | Very low | 42.6 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | 168 | 128.4 | 112.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 158 | R | 37.1 | Very low | 41.6 | Very low | 240 Ų | 240 | 153.9 Ų | 153.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | 68.2 | 120.5 | 138.3 | -66.9 | 179.8 | 176.5 | 175.9 | -1 | 120.7 | ||||
| 159 | S | 41.1 | Very low | 40.8 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -51.4 | 136.8 | 160.6 | 176.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 160 | H | 43.6 | Very low | 40.6 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -143.7 | 122.1 | 142.8 | -95.6 | -76.8 | 0 | 0 | 0 | 109.7 | ||||
| 161 | Q | 40.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -62.8 | 125.3 | 161.8 | -78.4 | 176.6 | -17.4 | 0 | 0 | 109.5 | ||||
| 162 | I | 40.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -138.1 | 132.9 | 151.1 | -60 | -176.2 | 0 | 0 | 0 | 108.1 | ||||
| 163 | K | 34.8 | Very low | 39.2 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 149.2 | -176.2 | -66.9 | 171 | 176.4 | 176 | 0 | 112.1 | ||||
| 164 | S | 38.5 | Very low | 39.7 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 11.5 | 118.5 | 143.5 | -179.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 165 | D | 32.6 | Very low | 39.3 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | -148.6 | 144.7 | 113 | -123.5 | -11.7 | 0 | 0 | 0 | 114.1 | |||||
| 166 | Q | 35.3 | Very low | 39.1 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 65% | 0.654 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 131.6 | -167.6 | 178.7 | 179.5 | 5.6 | 0 | 0 | 110.9 | ||||
| 167 | M | 37.2 | Very low | 38.9 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | trans | -149.1 | 97.8 | 140.7 | -84.4 | -131.3 | 83.6 | 0 | 0 | 110.6 | ||||
| 168 | Q | 34.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | trans | -22.1 | 144.9 | 135.3 | -85.8 | -175.6 | -19.9 | 0 | 0 | 113.4 | ||||
| 169 | I | 38.2 | Very low | 38.6 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | cis | 168.9 | 166 | 41.3 | -112.5 | 164.9 | 0 | 0 | 0 | 105.3 | ||||
| 170 | P | 46.3 | Very low | 38.3 | Very low | 83 Ų | 83 | 150 Ų | 150 | 54% | 0.539 | 77% | 0.767 | S | S | . | * | cis | -136.8 | 170.7 | -37 | 42.2 | -24.9 | 0 | 0 | 0 | 112 | ||||
| 171 | F | 32.9 | Very low | 37.7 | Very low | 219 Ų | 219 | 146.1 Ų | 146.1 | 96% | 0.961 | 76% | 0.76 | S | S | * | * | trans | -139.8 | 111 | 137.7 | -117.8 | -85.2 | 0 | 0 | 0 | 108 | ||||
| 172 | N | 35 | Very low | 37.4 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -72.1 | 126.4 | -179.6 | -85 | -30.7 | 0 | 0 | 0 | 110.3 | ||||
| 173 | S | 44.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -103.9 | 143.1 | 146.3 | -73.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 174 | P | 51.1 | Low | 37.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -123.5 | 153.8 | 151.3 | 35.2 | -23.3 | 0 | 0 | 0 | 109.8 | ||||
| 175 | M | 34.6 | Very low | 37.1 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | cis | -171.6 | 167.1 | -18.4 | -153.9 | -104.6 | 157.6 | 0 | 0 | 104.7 | ||||
| 176 | S | 43 | Very low | 37.6 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -109.8 | 173.1 | -172.8 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 177 | L | 37.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 99.4 | 120.6 | 148.4 | -65.1 | 161.7 | 0 | 0 | 0 | 120.5 | ||||
| 178 | S | 31.1 | Very low | 37.7 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 177 | 122.6 | 102.8 | -174.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 179 | R | 38.3 | Very low | 38 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | 78.7 | 118.4 | 68 | -116.9 | -164.4 | -73.8 | -140.2 | 1.7 | 116.6 | |||||
| 180 | Y | 33.9 | Very low | 38.1 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 86.5 | 117.2 | 154.6 | -80.6 | -80.4 | 0 | 0 | 0 | 124.2 | ||||
| 181 | S | 30.5 | Very low | 37.6 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | 72 | 124.5 | 126.7 | -94.6 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 182 | S | 35 | Very low | 38.1 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 91.4 | 112.3 | 131.7 | -57.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 183 | T | 37.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | 43.3 | 133.6 | 128.8 | 66.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 184 | T | 36.1 | Very low | 37.9 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 92.6 | 138.5 | 145.8 | 73.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 185 | S | 34.8 | Very low | 37.2 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 95.3 | 107.6 | 145.7 | -165.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 186 | L | 42.8 | Very low | 37.1 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | 1.2 | 126.5 | 135.5 | -80.8 | 152.2 | 0 | 0 | 0 | 117.1 | ||||
| 187 | A | 35 | Very low | 36.9 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 166.2 | 117.6 | 111.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 188 | E | 40 | Very low | 36.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | 14.9 | 123.5 | 133.1 | -156.5 | 171.6 | -162.1 | 0 | 0 | 118.3 | ||||
| 189 | N | 40.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | 176.6 | 161.6 | 113.8 | -95.9 | -72.7 | 0 | 0 | 0 | 112.9 | |||||
| 190 | M | 40.4 | Very low | 37 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 175.4 | -157.6 | -69 | -164.1 | 163 | 0 | 0 | 118.5 | ||||
| 191 | E | 36.1 | Very low | 37.1 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 108.9 | 96.7 | 134.9 | -147.6 | 164.5 | -175 | 0 | 0 | 114.8 | ||||
| 192 | V | 43.8 | Very low | 37.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | 84.7 | 123.8 | 82.7 | 171.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 193 | D | 40.4 | Very low | 37.4 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 66.1 | 150.8 | 157.2 | -88.5 | -1 | 0 | 0 | 0 | 119.1 | ||||
| 194 | N | 34.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | cis | -167 | 158.1 | 22.7 | -136 | -41.3 | 0 | 0 | 0 | 110.8 | ||||
| 195 | K | 35.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | 62.3 | 139.2 | 156.4 | -75.3 | 160.7 | 174.3 | 171.6 | 0 | 118.1 | ||||
| 196 | G | 32.5 | Very low | 37.7 | Very low | 62 Ų | 62 | 147.6 Ų | 147.6 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | cis | -177 | 155.6 | 5.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 197 | L | 40.4 | Very low | 37.4 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | 160.7 | 120.4 | 99.3 | -83.5 | 159.6 | 0 | 0 | 0 | 104.4 | |||||
| 198 | F | 36.6 | Very low | 37.5 | Very low | 222 Ų | 222 | 150.2 Ų | 150.2 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | -154.6 | 119.1 | 143.6 | -90.2 | -65.5 | 0 | 0 | 0 | 110.4 | ||||
| 199 | R | 37.3 | Very low | 37.9 | Very low | 248 Ų | 248 | 153.1 Ų | 153.1 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 138 | 176.9 | -161.2 | -176.1 | -146.8 | -147.6 | 5.6 | 108.9 | ||||
| 200 | K | 33.9 | Very low | 38 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -113 | 139.1 | 175.5 | -142 | 173.1 | -175.6 | 176.9 | 0 | 109.9 | ||||
| 201 | P | 35.8 | Very low | 38 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -80.7 | 151.2 | 178.7 | -6.2 | 24.3 | 0 | 0 | 0 | 112.3 | ||||
| 202 | A | 34.3 | Very low | 38.5 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 143.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 203 | L | 37.5 | Very low | 38.4 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -137.4 | 140.8 | 154.9 | -115.7 | 107 | 0 | 0 | 0 | 110.5 | ||||
| 204 | S | 36 | Very low | 38.8 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -60 | 141.9 | -174.3 | -169.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 205 | G | 34.9 | Very low | 39.2 | Very low | 73 Ų | 73 | 148.9 Ų | 148.9 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 168.8 | 85 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V207 | G205-V207 PolarHBondContact O-N 3.33Š| ||
| 206 | S | 42.6 | Very low | 40 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -64.1 | 117.4 | -178.1 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 207 | V | 37.2 | Very low | 40.7 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -138 | 106.2 | 148.2 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | G205 R209 | G205-V207 PolarHBondContact O-N 3.33Å; V207-R209 PolarHBondContact O-N 3.07Å | ||
| 208 | Q | 37.7 | Very low | 41.2 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -65.8 | 113.1 | 175.6 | -73.3 | 175.8 | -16.6 | 0 | 0 | 109.8 | L210 | Q208-L210 PolarHBondContact O-N 3.26Š| ||
| 209 | R | 47.5 | Very low | 42 | Very low | 233 Ų | 233 | 143.5 Ų | 143.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 97.9 | 156.9 | -86.7 | -170.8 | 165.1 | -136.2 | -1.9 | 108.1 | V207 S211 | V207-R209 PolarHBondContact O-N 3.07Å; R209-S211 PolarHBondContact O-N 3Å; R209-S211 PolarHBondContact O-OG 2.82Å | ||
| 210 | L | 43.2 | Very low | 42.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -52.4 | 104.6 | 164.9 | -86.7 | 123.8 | 0 | 0 | 0 | 109.3 | Q208 L212 | Q208-L210 PolarHBondContact O-N 3.26Å; L210-L212 HydrophobicContact CD2-CD1 4.15Å; L210-L212 HydrophobicContact CD2-CG 4.27Å | ||
| 211 | S | 40.4 | Very low | 43.3 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -99.5 | 90.7 | 169.8 | -58.2 | 0 | 0 | 0 | 0 | 107.3 | R209 I213 | R209-S211 PolarHBondContact O-N 3Å; R209-S211 PolarHBondContact O-OG 2.82Å; S211-I213 VanDerWaalsContact C-N 3.29Å; S211-I213 PolarHBondContact O-N 2.95Å | ||
| 212 | L | 46 | Very low | 43.7 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -90.3 | 36.8 | -177.3 | -87.1 | 171.8 | 0 | 0 | 0 | 113.4 | L210 | L210-L212 HydrophobicContact CD2-CD1 4.15Å; L210-L212 HydrophobicContact CD2-CG 4.27Å | ||
| 213 | I | 41.7 | Very low | 44.5 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | trans | -140.8 | 99.4 | 172.3 | -49.2 | 175.5 | 0 | 0 | 0 | 108.6 | S211 | S211-I213 VanDerWaalsContact C-N 3.29Å; S211-I213 PolarHBondContact O-N 2.95Å | ||
| 214 | S | 48.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.7 | 164.3 | -48.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 215 | P | 44.4 | Very low | 45 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.6 | 172.8 | -15.1 | 27.9 | 0 | 0 | 0 | 109.5 | Q217 | P215-Q217 PolarHBondContact O-N 3.09Š|
| 216 | P | 51.8 | Low | 45 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.6 | 176.9 | 24.3 | -30.4 | 0 | 0 | 0 | 109.4 | ||
| 217 | Q | 47 | Very low | 44.9 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 138.7 | 163.6 | -62 | -144 | -12.7 | 0 | 0 | 108.3 | P215 | P215-Q217 PolarHBondContact O-N 3.09Š|
| 218 | D | 51.5 | Low | 44.9 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.5 | 17 | 178.7 | -67.1 | -21.7 | 0 | 0 | 0 | 120.4 | R220 | D218-R220 PolarHBondContact O-N 3.43Š|
| 219 | G | 52.8 | Low | 44.8 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 57.4 | 18.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 220 | R | 51.8 | Low | 44.3 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 121.8 | 175.1 | -99.1 | -175.3 | -177.9 | -110 | 2.7 | 111.1 | D218 | D218-R220 PolarHBondContact O-N 3.43Š|
| 221 | M | 46.1 | Very low | 44.1 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 126.4 | 166.9 | -118.3 | -177.2 | -63.4 | 0 | 0 | 109.5 | ||
| 222 | G | 45.3 | Very low | 43.8 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 142.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 223 | T | 49.5 | Very low | 43.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 133.2 | 172 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 224 | V | 42.9 | Very low | 43.4 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.8 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | H226 | V224-H226 PolarHBondContact O-N 3.39Š|
| 225 | P | 41.2 | Very low | 42.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71 | 120.2 | 179.5 | -9.3 | 24.6 | 0 | 0 | 0 | 110.7 | ||
| 226 | H | 35.5 | Very low | 42.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 126.5 | 171.8 | -138 | -61.9 | 0 | 0 | 0 | 109.6 | V224 S228 | V224-H226 PolarHBondContact O-N 3.39Å; H226-S228 PolarHBondContact O-N 3.26Å |
| 227 | R | 39.7 | Very low | 41.8 | Very low | 220 Ų | 220 | 152.2 Ų | 152.2 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 122.1 | 175 | -166.2 | 179.8 | -169.5 | -140.2 | 4.1 | 110.3 | ||
| 228 | S | 37.4 | Very low | 41.1 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.6 | 174.7 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | H226 | H226-S228 PolarHBondContact O-N 3.26Š|
| 229 | T | 35.9 | Very low | 40.4 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -131.6 | 133.6 | 162.1 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 230 | N | 38.3 | Very low | 39.7 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -57.1 | 148.8 | -162.8 | -70.4 | -48 | 0 | 0 | 0 | 116.5 | ||||
| 231 | Q | 38 | Very low | 38.8 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -58.3 | 134.3 | 171.2 | -67 | 172 | -0.8 | 0 | 0 | 111.7 | ||||
| 232 | N | 35.1 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 121.7 | 143.7 | -102.5 | -19.2 | 0 | 0 | 0 | 107.8 | ||||
| 233 | T | 41.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -71.2 | 127.6 | -178 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | L | 37.2 | Very low | 36.7 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 178.5 | 126.8 | 134.2 | -98.5 | 149 | 0 | 0 | 0 | 112.8 | ||||
| 235 | V | 37 | Very low | 36.1 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | 72.8 | 113.2 | 156.3 | -164.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 236 | N | 33 | Very low | 35.8 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 124.9 | 175.8 | -67.7 | -41.4 | 0 | 0 | 0 | 112.4 | ||||
| 237 | H | 40.9 | Very low | 35.7 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -118.6 | 106.8 | 150.2 | -57.3 | -59.2 | 0 | 0 | 0 | 108.2 | A239 | H237-A239 PolarHBondContact O-N 3.42Å; H237-A239 VanDerWaalsContact O-N 3.11Å | ||
| 238 | S | 32.9 | Very low | 35.3 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 95 | 179.2 | 163.3 | 0 | 0 | 0 | 0 | 110.4 | R240 | S238-R240 PolarHBondContact O-N 2.81Š| ||
| 239 | A | 36.2 | Very low | 34.9 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 97.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | H237 S241 | H237-A239 PolarHBondContact O-N 3.42Å; H237-A239 VanDerWaalsContact O-N 3.11Å; A239-S241 PolarHBondContact O-N 3.18Å | ||
| 240 | R | 38.9 | Very low | 34.6 | Very low | 233 Ų | 233 | 147.1 Ų | 147.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 102.5 | 172.4 | -75.1 | -179.7 | 167.6 | -179.8 | -4.9 | 109.2 | S238 | S238-R240 PolarHBondContact O-N 2.81Š| ||
| 241 | S | 31.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 132.9 | 160.8 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | A239 T243 | A239-S241 PolarHBondContact O-N 3.18Å; S241-T243 PolarHBondContact O-N 3.11Å |
| 242 | A | 31.5 | Very low | 34 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 243 | T | 34.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 120.1 | 165.1 | -53.3 | 0 | 0 | 0 | 0 | 107.9 | S241 S245 | S241-T243 PolarHBondContact O-N 3.11Å; T243-S245 PolarHBondContact O-N 3.46Å |
| 244 | V | 30.3 | Very low | 33.9 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -62.2 | 110.4 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 245 | S | 32.1 | Very low | 33.6 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -90.5 | 131.9 | 171.6 | -69.7 | 0 | 0 | 0 | 0 | 110 | T243 | T243-S245 PolarHBondContact O-N 3.46Š| ||
| 246 | R | 33.3 | Very low | 33.3 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -68.4 | 146.4 | 176 | -66.1 | 179.3 | -177.6 | -163.9 | -0.4 | 110.3 | ||||
| 247 | L | 33.3 | Very low | 33.8 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -44 | 134 | 174.9 | -76.7 | 147.2 | 0 | 0 | 0 | 113.6 | ||||
| 248 | A | 31.5 | Very low | 33.2 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -134.3 | 137.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 249 | E | 29.6 | Very low | 33.1 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | trans | -99.7 | 158.7 | -158.3 | -146.2 | 169.4 | -170.3 | 0 | 0 | 111.2 | ||||
| 250 | L | 30.6 | Very low | 33 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | trans | 83.7 | 109.8 | 161.8 | -53.8 | 168.8 | 0 | 0 | 0 | 118.9 | ||||
| 251 | Q | 31 | Very low | 33.1 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | -174.9 | 145.4 | 95.5 | -93.4 | 179.9 | -4.8 | 0 | 0 | 112 | |||||
| 252 | M | 30.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -85.4 | 141.9 | -170.8 | -63.3 | -87.8 | 96 | 0 | 0 | 113 | ||||
| 253 | T | 32.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -159.5 | 151.6 | 139.5 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 254 | P | 42.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 160.1 Ų | 160.1 | 68% | 0.682 | 83% | 0.832 | S | S | * | * | trans | -115 | 161.4 | -156.7 | 37.6 | -23.7 | 0 | 0 | 0 | 116.6 | ||||
| 255 | N | 31.1 | Very low | 34.2 | Very low | 146 Ų | 146 | 162.4 Ų | 162.4 | 78% | 0.781 | 83% | 0.834 | S | S | * | * | trans | 92 | 101.4 | 154.8 | -56.5 | -49.9 | 0 | 0 | 0 | 120.5 | ||||
| 256 | L | 30.6 | Very low | 34.9 | Very low | 170 Ų | 170 | 162.5 Ų | 162.5 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | -169.9 | 147.7 | 114.8 | -131.5 | 67.1 | 0 | 0 | 0 | 110.8 | |||||
| 257 | P | 42.3 | Very low | 35.4 | Very low | 112 Ų | 112 | 157.2 Ų | 157.2 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -102.3 | 132 | -163.8 | 35.3 | -24.7 | 0 | 0 | 0 | 113.3 | ||||
| 258 | Y | 30.2 | Very low | 35.7 | Very low | 233 Ų | 233 | 154.2 Ų | 154.2 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -145.3 | 91.3 | 156.5 | -134.3 | -94.6 | 0 | 0 | 0 | 112.5 | ||||
| 259 | R | 30.8 | Very low | 36 | Very low | 212 Ų | 212 | 158.5 Ų | 158.5 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 17.7 | 118.1 | 136.2 | -161.1 | 168.6 | -128.8 | -124 | 2.2 | 120.2 | ||||
| 260 | M | 33.8 | Very low | 36.8 | Very low | 157 Ų | 157 | 158.8 Ų | 158.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 94.1 | 100.5 | 141.8 | -70 | -65.6 | 141.1 | 0 | 0 | 121.8 | ||||
| 261 | N | 39.8 | Very low | 37.3 | Very low | 148 Ų | 148 | 156.6 Ų | 156.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -32.5 | 133.1 | 143.8 | -82.7 | -2.7 | 0 | 0 | 0 | 115.4 | ||||
| 262 | T | 37 | Very low | 37.6 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -140.8 | 106.1 | 128.9 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 263 | G | 37.6 | Very low | 38.4 | Very low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -74.9 | 137.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E265 | G263-E265 PolarHBondContact O-N 2.81Å; G263-E265 VanDerWaalsContact O-N 3.17Å | ||
| 264 | W | 36.6 | Very low | 39 | Very low | 263 Ų | 263 | 147.9 Ų | 147.9 | 100% | 0.996 | 79% | 0.793 | S | S | * | * | trans | -62.4 | 110.8 | 170.9 | -77.3 | 81.3 | 0 | 0 | 0 | 109.9 | ||||
| 265 | E | 41.6 | Very low | 38.7 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -84 | 130.8 | 170.4 | -76.4 | -167.3 | 153.6 | 0 | 0 | 110.7 | G263 | G263-E265 PolarHBondContact O-N 2.81Å; G263-E265 VanDerWaalsContact O-N 3.17Å | ||
| 266 | T | 45.6 | Very low | 39 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 141.9 | 168.6 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | V268 | T266-V268 PolarHBondContact O-N 3.05Š| ||
| 267 | P | 43.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -67.3 | 106.6 | 178.1 | 26.3 | -32 | 0 | 0 | 0 | 110.3 | F269 | P267-F269 PolarHBondContact O-N 3.37Š| ||
| 268 | V | 39.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -72.3 | 113 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | T266 K270 | T266-V268 PolarHBondContact O-N 3.05Å; V268-K270 HydrophobicContact CG1-CG 4.5Å; V268-K270 PolarHBondContact O-N 3.31Å | ||
| 269 | F | 37.8 | Very low | 39.1 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 107.8 | 172.7 | -160.5 | -94.7 | 0 | 0 | 0 | 109.3 | P267 | P267-F269 PolarHBondContact O-N 3.37Š| ||
| 270 | K | 47.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 119.1 | 173 | -72.5 | -179.2 | 179.5 | 174.9 | 0 | 109.4 | V268 | V268-K270 HydrophobicContact CG1-CG 4.5Å; V268-K270 PolarHBondContact O-N 3.31Å |
| 271 | P | 40.9 | Very low | 39.3 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 149.7 | 170.9 | 27.8 | -31.5 | 0 | 0 | 0 | 110.8 | S273 | P271-S273 PolarHBondContact O-N 2.82Š|
| 272 | P | 38.5 | Very low | 39 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.2 | 179.4 | -18.6 | 30.6 | 0 | 0 | 0 | 112.1 | A274 | P272-A274 PolarHBondContact O-N 3.43Š|
| 273 | S | 47.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -80.7 | 90.8 | 171.8 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | P271 | P271-S273 PolarHBondContact O-N 2.82Š| ||
| 274 | A | 43.5 | Very low | 38.6 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 142.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | P272 | P272-A274 PolarHBondContact O-N 3.43Š| ||
| 275 | Y | 38 | Very low | 38.4 | Very low | 205 Ų | 205 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 86.1 | 70.2 | -166.4 | -59.7 | -81.4 | 0 | 0 | 0 | 115.4 | ||||
| 276 | R | 37 | Very low | 38.1 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 112.6 | 142.2 | -74.1 | -163.7 | -169.4 | -173.6 | 5.2 | 107.8 | ||||
| 277 | H | 34.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.3 | 157.3 | -71 | -85.7 | 0 | 0 | 0 | 108.1 | ||
| 278 | S | 32.8 | Very low | 37.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 118.8 | 162.4 | -83.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 279 | S | 37.5 | Very low | 37 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 151.1 | 156.8 | -75.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 280 | M | 36.9 | Very low | 36.9 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | cis | -169.4 | 162.1 | 4.5 | -92.2 | -94.3 | 83.4 | 0 | 0 | 108.9 | ||||
| 281 | S | 32.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 73.9 | 142 | 156.2 | -63.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 282 | S | 33.1 | Very low | 36.2 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | cis | -166.4 | 151.5 | 13.4 | 50 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 283 | L | 33.6 | Very low | 36.6 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 50.9 | 119.3 | 147.8 | -63 | 167.8 | 0 | 0 | 0 | 120.6 | ||||
| 284 | V | 32.9 | Very low | 37 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | -165.6 | 126 | 114.8 | 170.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 285 | M | 33.1 | Very low | 37.7 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -69.4 | 131.5 | 163.8 | -88.2 | -171.4 | 76.1 | 0 | 0 | 110.1 | ||||
| 286 | S | 34.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -145.7 | 108.9 | 147.8 | -76.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 287 | S | 35.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -62.6 | 133.2 | 166.9 | 44.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 288 | L | 38.2 | Very low | 37.9 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -156.6 | 121.4 | 146.6 | -97.3 | 159.8 | 0 | 0 | 0 | 106.9 | ||||
| 289 | G | 32.3 | Very low | 38.2 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | -92.9 | -163.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 290 | V | 36 | Very low | 38.3 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | 78.6 | 123.2 | 158.7 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 291 | T | 36.1 | Very low | 38.4 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | cis | -173.7 | 147 | 7.8 | 18 | 0 | 0 | 0 | 0 | 107 | ||||
| 292 | C | 37.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -97.9 | 164.4 | 147 | -71.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 293 | P | 46.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | cis | -150.1 | -143.3 | 35.8 | 35.7 | -7.1 | 0 | 0 | 0 | 113.6 | ||||
| 294 | P | 55.2 | Low | 39.7 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 84% | 0.836 | S | S | * | * | -120.3 | -147.8 | -100.9 | 46.8 | -26.7 | 0 | 0 | 0 | 110.4 | |||||
| 295 | P | 59.6 | Low | 40.4 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 100% | 1.299 | 84% | 0.836 | S | S | * | * | cis | -92.3 | 0 | 16 | 35.7 | -35.1 | 0 | 0 | 0 | 116.3 |
Retrieved 295 of 295 residues in 153 ms
(Link to these results)