| 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 | 58.7 | Low | 78.7 | Confident | 191 Ų | 191 | 97.8 Ų | 97.8 | 94% | 0.941 | 50% | 0.498 | S | S | * | . | 0 | -42.7 | 0 | -61.8 | -54.9 | -93.9 | 0 | 0 | 112.8 | |||||
| 2 | S | 71.8 | Confident | 79.1 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 56% | 0.559 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | -178.1 | -176.9 | 0 | 0 | 0 | 0 | 115 | I4 L5 N6 | S2-I4 PolarHBondContact O-N 3.1Å; S2-L5 PolarHBondContact O-N 2.88Å; S2-N6 PolarHBondContact O-N 3.01Å |
| 3 | L | 79.9 | Confident | 79.6 | Confident | 126 Ų | 126 | 93.4 Ų | 93.4 | 66% | 0.66 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | -177.7 | -171.5 | 127 | 0 | 0 | 0 | 113.9 | N6 I7 | L3-N6 PolarHBondContact O-N 3.26Å; L3-I7 HydrophobicContact CD2-CD1 3.64Å; L3-I7 HydrophobicContact CG-CD1 4.21Å; L3-I7 WeakPolarHBondContact O-CG1 3.08Å; L3-I7 PolarHBondContact O-N 3.3Å; L3-I7 VanDerWaalsContact O-N 3.09Å |
| 4 | I | 79.4 | Confident | 80 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 179.3 | -67.8 | 165.9 | 0 | 0 | 0 | 111 | S2 N6 L8 | S2-I4 PolarHBondContact O-N 3.1Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 3.41Å |
| 5 | L | 77.6 | Confident | 80.1 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 29% | 0.288 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 177.1 | -69.5 | 171.8 | 0 | 0 | 0 | 111.7 | S2 L8 R9 W26 | S2-L5 PolarHBondContact O-N 2.88Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-R9 WeakPolarHBondContact O-CB 3.33Å; L5-R9 PolarHBondContact O-N 3.4Å; L5-W26 HydrophobicContact CD2-CD2 4.08Å; L5-W26 HydrophobicContact CD2-CE3 3.77Å; L5-W26 HydrophobicContact CD2-CH2 3.28Å; L5-W26 HydrophobicContact CD2-CZ2 3.69Å; L5-W26 HydrophobicContact CD2-CZ3 3.34Å; L5-W26 HydrophobicContact CG-CH2 4.47Å |
| 6 | N | 81.7 | Confident | 80 | Confident | 78 Ų | 78 | 98.1 Ų | 98.1 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 177.2 | -68.3 | -9.2 | 0 | 0 | 0 | 111.9 | S2 L3 I4 L8 R9 E10 | S2-N6 PolarHBondContact O-N 3.01Å; L3-N6 PolarHBondContact O-N 3.26Å; I4-N6 VanDerWaalsContact C-N 3.33Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.39Å; N6-R9 WeakPolarHBondContact O-CB 3.44Å; N6-R9 PolarHBondContact O-N 3.12Å; N6-R9 VanDerWaalsContact O-N 3.14Å; N6-E10 PolarHBondContact O-N 3.21Å |
| 7 | I | 85.4 | Confident | 80 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 45% | 0.451 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.5 | -67 | 166.2 | 0 | 0 | 0 | 110.7 | L3 R9 E10 M11 | L3-I7 HydrophobicContact CD2-CD1 3.64Å; L3-I7 HydrophobicContact CG-CD1 4.21Å; L3-I7 WeakPolarHBondContact O-CG1 3.08Å; L3-I7 PolarHBondContact O-N 3.3Å; L3-I7 VanDerWaalsContact O-N 3.09Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 2.95Å; I7-E10 PolarHBondContact O-N 3.2Å; I7-M11 HydrophobicContact CG2-CG 4.34Å; I7-M11 WeakPolarHBondContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CG 2.98Å; I7-M11 PolarHBondContact O-N 3.35Å |
| 8 | L | 79.9 | Confident | 79.8 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 176.9 | -74.6 | 170.5 | 0 | 0 | 0 | 112.6 | I4 L5 N6 L12 W26 I37 I41 | I4-L8 HydrophobicContact CG2-CD1 4.01Å; I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.39Å; I4-L8 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.07Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.01Å; L8-W26 HydrophobicContact CD1-CH2 3.75Å; L8-W26 HydrophobicContact CD1-CZ3 3.66Å; L8-I37 HydrophobicContact CD1-CD1 3.7Å; L8-I41 HydrophobicContact CD2-CD1 3.84Å |
| 9 | R | 82.1 | Confident | 79.5 | Confident | 82 Ų | 82 | 87.6 Ų | 87.6 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -52 | 174.3 | 171.4 | -176.7 | -59.1 | -84.9 | 8.8 | 110.9 | L5 N6 I7 M11 L12 E13 V19 D20 L23 | L5-R9 WeakPolarHBondContact O-CB 3.33Å; L5-R9 PolarHBondContact O-N 3.4Å; N6-R9 WeakPolarHBondContact O-CB 3.44Å; N6-R9 PolarHBondContact O-N 3.12Å; N6-R9 VanDerWaalsContact O-N 3.14Å; I7-R9 VanDerWaalsContact C-N 3.33Å; I7-R9 PolarHBondContact O-N 2.95Å; R9-M11 VanDerWaalsContact C-N 3.32Å; R9-M11 PolarHBondContact O-N 2.69Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.23Å; R9-E13 PolarHBondContact O-N 3.25Å; R9-V19 HydrophobicContact CB-CG1 4Å; R9-V19 HydrophobicContact CG-CG1 3.82Å; R9-D20 IonicContact NH1-OD1 3.64Å; R9-L23 VanDerWaalsContact NH2-CD1 3.25Å; R9-L23 VanDerWaalsContact NH2-CD2 3.32Å |
| 10 | E | 85.6 | Confident | 79.2 | Confident | 137 Ų | 137 | 89.5 Ų | 89.5 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 178.4 | -71 | 179.1 | 178 | 0 | 0 | 112 | N6 I7 Y14 | N6-E10 PolarHBondContact O-N 3.21Å; I7-E10 PolarHBondContact O-N 3.2Å; E10-Y14 WeakPolarHBondContact O-CB 3.43Å; E10-Y14 PolarHBondContact O-N 3.11Å |
| 11 | M | 83.9 | Confident | 78.8 | Confident | 97 Ų | 97 | 91.1 Ų | 91.1 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177.7 | -72.7 | -106.3 | 71.4 | 0 | 0 | 112.5 | I7 R9 E13 Y14 F15 | I7-M11 HydrophobicContact CG2-CG 4.34Å; I7-M11 WeakPolarHBondContact O-CB 3.3Å; I7-M11 WeakPolarHBondContact O-CG 2.98Å; I7-M11 PolarHBondContact O-N 3.35Å; R9-M11 VanDerWaalsContact C-N 3.32Å; R9-M11 PolarHBondContact O-N 2.69Å; M11-E13 VanDerWaalsContact C-N 3.34Å; M11-Y14 WeakPolarHBondContact O-CB 3.15Å; M11-Y14 PolarHBondContact O-N 3.27Å; M11-F15 HydrophobicContact CE-CE2 4.38Å; M11-F15 WeakPolarHBondContact O-CD2 3.38Å; M11-F15 PolarHBondContact O-N 2.8Å |
| 12 | L | 83.3 | Confident | 79.3 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 5% | 0.047 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 179.7 | -73.7 | 171.9 | 0 | 0 | 0 | 111.8 | L8 R9 Y14 F15 G16 V17 V19 V22 I41 | L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.01Å; R9-L12 PolarHBondContact O-N 3.45Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 PolarHBondContact O-N 3.18Å; L12-G16 PolarHBondContact O-N 3.45Å; L12-V17 HydrophobicContact CB-CB 4.24Å; L12-V17 HydrophobicContact CD2-CB 4.26Å; L12-V17 HydrophobicContact CD2-CG1 4.3Å; L12-V17 HydrophobicContact CD2-CG2 4.32Å; L12-V17 WeakPolarHBondContact O-CB 2.97Å; L12-V17 PolarHBondContact O-N 3.37Å; L12-V19 HydrophobicContact CB-CG2 3.84Å; L12-V22 HydrophobicContact CD1-CG1 4.08Å; L12-I41 HydrophobicContact CD2-CG2 4.06Å |
| 13 | E | 86.1 | Confident | 79.4 | Confident | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 173.5 | -173.9 | 171 | -176.1 | 0 | 0 | 111.5 | R9 M11 F15 G16 V19 | R9-E13 VanDerWaalsContact O-CB 3.26Å; R9-E13 WeakPolarHBondContact O-CB 3.23Å; R9-E13 PolarHBondContact O-N 3.25Å; M11-E13 VanDerWaalsContact C-N 3.34Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.13Å; E13-G16 PolarHBondContact O-N 3.4Å; E13-V19 HydrophobicContact CB-CG2 4.13Å |
| 14 | Y | 85.3 | Confident | 78.9 | Confident | 184 Ų | 184 | 79.9 Ų | 79.9 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.9 | -36.2 | 172.9 | 176.2 | -97.7 | 0 | 0 | 0 | 113 | E10 M11 L12 G16 | E10-Y14 WeakPolarHBondContact O-CB 3.43Å; E10-Y14 PolarHBondContact O-N 3.11Å; M11-Y14 WeakPolarHBondContact O-CB 3.15Å; M11-Y14 PolarHBondContact O-N 3.27Å; L12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-G16 VanDerWaalsContact C-N 3.26Å; Y14-G16 PolarHBondContact O-N 3.5Å |
| 15 | F | 81.4 | Confident | 78.4 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5 | 175.4 | -68.9 | -67.6 | 0 | 0 | 0 | 113.9 | M11 L12 E13 V17 L45 | M11-F15 HydrophobicContact CE-CE2 4.38Å; M11-F15 WeakPolarHBondContact O-CD2 3.38Å; M11-F15 PolarHBondContact O-N 2.8Å; L12-F15 CarbonylContact O-C 3.57Å; L12-F15 PolarHBondContact O-N 3.18Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.13Å; F15-V17 VanDerWaalsContact C-N 3.25Å; F15-V17 HydrophobicContact CB-CG2 4.16Å; F15-V17 PolarHBondContact O-N 3.05Å; F15-L45 HydrophobicContact CB-CD2 3.8Å; F15-L45 HydrophobicContact CD1-CD2 4.41Å; F15-L45 HydrophobicContact CD2-CD2 3.74Å; F15-L45 HydrophobicContact CE2-CD2 4.48Å; F15-L45 HydrophobicContact CG-CD2 3.73Å |
| 16 | G | 78.6 | Confident | 78 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 19.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L12 E13 Y14 | L12-G16 PolarHBondContact O-N 3.45Å; E13-G16 PolarHBondContact O-N 3.4Å; Y14-G16 VanDerWaalsContact C-N 3.26Å; Y14-G16 PolarHBondContact O-N 3.5Å |
| 17 | V | 80 | Confident | 77.4 | Confident | 10 Ų | 10 | 84.3 Ų | 84.3 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | trans | -82.6 | 130.9 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | L12 F15 V19 V22 M44 L45 | L12-V17 HydrophobicContact CB-CB 4.24Å; L12-V17 HydrophobicContact CD2-CB 4.26Å; L12-V17 HydrophobicContact CD2-CG1 4.3Å; L12-V17 HydrophobicContact CD2-CG2 4.32Å; L12-V17 WeakPolarHBondContact O-CB 2.97Å; L12-V17 PolarHBondContact O-N 3.37Å; F15-V17 VanDerWaalsContact C-N 3.25Å; F15-V17 HydrophobicContact CB-CG2 4.16Å; F15-V17 PolarHBondContact O-N 3.05Å; V17-V19 VanDerWaalsContact O-CG2 3.26Å; V17-V19 WeakPolarHBondContact O-CG2 3.41Å; V17-V19 PolarHBondContact O-N 2.8Å; V17-V22 HydrophobicContact CG1-CG2 4.11Å; V17-M44 HydrophobicContact CG1-CB 3.72Å; V17-M44 WeakPolarHBondContact CG2-O 3.07Å; V17-L45 HydrophobicContact CG2-CD2 4.27Å | ||
| 18 | P | 76.8 | Confident | 76.4 | Confident | 72 Ų | 72 | 85 Ų | 85 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | trans | -68.5 | 99.6 | 179.1 | 27.3 | -33.9 | 0 | 0 | 0 | 111 | D20 Q21 | P18-D20 VanDerWaalsContact C-N 3.31Å; P18-D20 PolarHBondContact O-N 3.28Å; P18-Q21 PolarHBondContact O-N 3.28Å | ||
| 19 | V | 73 | Confident | 75.7 | Confident | 13 Ų | 13 | 86.7 Ų | 86.7 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.5 | -28.5 | -169 | -171.9 | 0 | 0 | 0 | 0 | 113.1 | R9 L12 E13 V17 Q21 V22 L23 | R9-V19 HydrophobicContact CB-CG1 4Å; R9-V19 HydrophobicContact CG-CG1 3.82Å; L12-V19 HydrophobicContact CB-CG2 3.84Å; E13-V19 HydrophobicContact CB-CG2 4.13Å; V17-V19 VanDerWaalsContact O-CG2 3.26Å; V17-V19 WeakPolarHBondContact O-CG2 3.41Å; V17-V19 PolarHBondContact O-N 2.8Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.99Å; V19-V22 PolarHBondContact O-N 2.76Å; V19-V22 VanDerWaalsContact O-N 3.11Å; V19-L23 HydrophobicContact CG1-CD1 3.43Å; V19-L23 VanDerWaalsContact CG1-CD1 3.43Å; V19-L23 WeakPolarHBondContact O-CD1 3.39Å; V19-L23 PolarHBondContact O-N 3.05Å |
| 20 | D | 73.6 | Confident | 74.6 | Confident | 125 Ų | 125 | 89.5 Ų | 89.5 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.7 | -34.7 | -177 | -59.2 | -33.2 | 0 | 0 | 0 | 112.8 | R9 P18 V22 L24 | R9-D20 IonicContact NH1-OD1 3.64Å; P18-D20 VanDerWaalsContact C-N 3.31Å; P18-D20 PolarHBondContact O-N 3.28Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-L24 PolarHBondContact O-N 3.04Å |
| 21 | Q | 71.4 | Confident | 72.8 | Confident | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.5 | -33.1 | 174.1 | -62.6 | 179.5 | 30.5 | 0 | 0 | 111.3 | P18 V19 I25 | P18-Q21 PolarHBondContact O-N 3.28Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.99Å; Q21-I25 VanDerWaalsContact O-CD1 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.45Å; Q21-I25 WeakPolarHBondContact O-CG1 3.45Å; Q21-I25 PolarHBondContact O-N 2.69Å; Q21-I25 VanDerWaalsContact O-N 3.16Å |
| 22 | V | 69.6 | Low | 71.4 | Confident | 10 Ų | 10 | 91.9 Ų | 91.9 | 6% | 0.061 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -73.3 | -40.8 | -178.4 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | L12 V17 V19 D20 L24 I25 W26 M44 | L12-V22 HydrophobicContact CD1-CG1 4.08Å; V17-V22 HydrophobicContact CG1-CG2 4.11Å; V19-V22 PolarHBondContact O-N 2.76Å; V19-V22 VanDerWaalsContact O-N 3.11Å; D20-V22 VanDerWaalsContact C-N 3.35Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-I25 PolarHBondContact O-N 3.29Å; V22-W26 PolarHBondContact O-N 3.11Å; V22-M44 HydrophobicContact CG2-CE 3.65Å; V22-M44 HydrophobicContact CG2-CG 4.28Å |
| 23 | L | 72.1 | Confident | 70.2 | Confident | 48 Ų | 48 | 94.6 Ų | 94.6 | 25% | 0.251 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.6 | -95.4 | 104.4 | 0 | 0 | 0 | 111.6 | R9 V19 I25 W26 E27 | R9-L23 VanDerWaalsContact NH2-CD1 3.25Å; R9-L23 VanDerWaalsContact NH2-CD2 3.32Å; V19-L23 HydrophobicContact CG1-CD1 3.43Å; V19-L23 VanDerWaalsContact CG1-CD1 3.43Å; V19-L23 WeakPolarHBondContact O-CD1 3.39Å; V19-L23 PolarHBondContact O-N 3.05Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 PolarHBondContact O-N 2.84Å; L23-W26 PolarHBondContact O-N 2.94Å; L23-E27 WeakPolarHBondContact O-CB 3.24Å; L23-E27 PolarHBondContact O-N 3Å |
| 24 | L | 70.3 | Confident | 68.9 | Low | 103 Ų | 103 | 95.3 Ų | 95.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 177.2 | -163.6 | 72.2 | 0 | 0 | 0 | 111.7 | D20 V22 W26 N28 | D20-L24 PolarHBondContact O-N 3.04Å; V22-L24 VanDerWaalsContact C-N 3.34Å; L24-W26 VanDerWaalsContact C-N 3.35Å; L24-N28 WeakPolarHBondContact CD1-ND2 3.23Å; L24-N28 WeakPolarHBondContact CG-ND2 3.28Å; L24-N28 WeakPolarHBondContact O-CB 2.85Å; L24-N28 PolarHBondContact O-N 3.2Å; L24-N28 PolarHBondContact O-ND2 2.79Å |
| 25 | I | 69.2 | Low | 68.2 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.7 | -31.2 | 175.2 | -67.3 | 162.5 | 0 | 0 | 0 | 111.9 | Q21 V22 L23 K29 M44 | Q21-I25 VanDerWaalsContact O-CD1 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.45Å; Q21-I25 WeakPolarHBondContact O-CG1 3.45Å; Q21-I25 PolarHBondContact O-N 2.69Å; Q21-I25 VanDerWaalsContact O-N 3.16Å; V22-I25 PolarHBondContact O-N 3.29Å; L23-I25 VanDerWaalsContact C-N 3.27Å; L23-I25 PolarHBondContact O-N 2.84Å; I25-K29 WeakPolarHBondContact O-CG 3.26Å; I25-M44 HydrophobicContact CD1-CE 4.46Å |
| 26 | W | 69.1 | Low | 68 | Low | 84 Ų | 84 | 90.1 Ų | 90.1 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.9 | -46.8 | 175.8 | -166.7 | -35.6 | 0 | 0 | 0 | 111.1 | L5 L8 V22 L23 L24 K29 I37 | L5-W26 HydrophobicContact CD2-CD2 4.08Å; L5-W26 HydrophobicContact CD2-CE3 3.77Å; L5-W26 HydrophobicContact CD2-CH2 3.28Å; L5-W26 HydrophobicContact CD2-CZ2 3.69Å; L5-W26 HydrophobicContact CD2-CZ3 3.34Å; L5-W26 HydrophobicContact CG-CH2 4.47Å; L8-W26 HydrophobicContact CD1-CH2 3.75Å; L8-W26 HydrophobicContact CD1-CZ3 3.66Å; V22-W26 PolarHBondContact O-N 3.11Å; L23-W26 PolarHBondContact O-N 2.94Å; L24-W26 VanDerWaalsContact C-N 3.35Å; W26-K29 WeakPolarHBondContact O-CB 3.39Å; W26-K29 WeakPolarHBondContact O-CG 3.27Å; W26-K29 PolarHBondContact O-N 2.99Å; W26-I37 HydrophobicContact CE3-CD1 4.15Å; W26-I37 HydrophobicContact CE3-CG1 4.28Å; W26-I37 HydrophobicContact CH2-CD1 3.02Å; W26-I37 HydrophobicContact CH2-CG1 3.95Å; W26-I37 HydrophobicContact CZ2-CD1 3.74Å; W26-I37 HydrophobicContact CZ2-CG1 4.46Å; W26-I37 HydrophobicContact CZ3-CD1 3.25Å; W26-I37 HydrophobicContact CZ3-CG1 3.83Å |
| 27 | E | 68 | Low | 68 | Low | 158 Ų | 158 | 89.3 Ų | 89.3 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.7 | -38.6 | -176.7 | -167.8 | 167.9 | -160.4 | 0 | 0 | 111.7 | L23 K29 | L23-E27 WeakPolarHBondContact O-CB 3.24Å; L23-E27 PolarHBondContact O-N 3Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.28Å |
| 28 | N | 66.4 | Low | 68 | Low | 104 Ų | 104 | 94 Ų | 94 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 30.8 | 176.3 | -61.2 | -63.4 | 0 | 0 | 0 | 113.5 | L24 D30 | L24-N28 WeakPolarHBondContact CD1-ND2 3.23Å; L24-N28 WeakPolarHBondContact CG-ND2 3.28Å; L24-N28 WeakPolarHBondContact O-CB 2.85Å; L24-N28 PolarHBondContact O-N 3.2Å; L24-N28 PolarHBondContact O-ND2 2.79Å; N28-D30 PolarHBondContact O-N 3.33Å |
| 29 | K | 64.6 | Low | 68.3 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | trans | -67.2 | 102.1 | 176.6 | -89.2 | 178.6 | 171 | 178.8 | 0 | 110.7 | I25 W26 E27 Y31 | I25-K29 WeakPolarHBondContact O-CG 3.26Å; W26-K29 WeakPolarHBondContact O-CB 3.39Å; W26-K29 WeakPolarHBondContact O-CG 3.27Å; W26-K29 PolarHBondContact O-N 2.99Å; E27-K29 VanDerWaalsContact C-N 3.28Å; E27-K29 PolarHBondContact O-N 3.28Å; K29-Y31 PolarHBondContact O-N 3.31Å | ||
| 30 | D | 57.5 | Low | 68.5 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 75% | 0.749 | 50% | 0.502 | S | S | * | . | trans | -55.6 | 129.3 | 161.5 | -62.3 | -41 | 0 | 0 | 0 | 108.8 | N28 G32 S33 | N28-D30 PolarHBondContact O-N 3.33Å; D30-G32 PolarHBondContact O-N 3.31Å; D30-S33 PolarHBondContact O-N 3.33Å | ||
| 31 | Y | 48.1 | Very low | 68.8 | Low | 223 Ų | 223 | 93.2 Ų | 93.2 | 88% | 0.875 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 100.6 | -179.5 | -170.4 | -90.1 | 0 | 0 | 0 | 109 | K29 | K29-Y31 PolarHBondContact O-N 3.31Š|
| 32 | G | 56 | Low | 69.3 | Low | 62 Ų | 62 | 89 Ų | 89 | 64% | 0.639 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.8 | -10.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | D30 T34 | D30-G32 PolarHBondContact O-N 3.31Å; G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.12Å; G32-T34 PolarHBondContact O-OG1 2.87Å |
| 33 | S | 57.8 | Low | 69.7 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | trans | -60.1 | 95.6 | 169 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | D30 R35 | D30-S33 PolarHBondContact O-N 3.33Å; S33-R35 PolarHBondContact O-N 3.29Å | ||
| 34 | T | 58.6 | Low | 69.8 | Low | 144 Ų | 144 | 95.6 Ų | 95.6 | 88% | 0.883 | 50% | 0.495 | S | S | * | . | trans | -71 | 6.7 | -166 | 0.7 | 0 | 0 | 0 | 0 | 113.4 | G32 | G32-T34 VanDerWaalsContact C-N 3.33Å; G32-T34 PolarHBondContact O-N 3.12Å; G32-T34 PolarHBondContact O-OG1 2.87Å | ||
| 35 | R | 69.5 | Low | 70.3 | Confident | 108 Ų | 108 | 92.4 Ų | 92.4 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | trans | -98.6 | 115.2 | -176.8 | -61.2 | -175.3 | -172.6 | -96.7 | -2.1 | 109.1 | S33 I40 | S33-R35 PolarHBondContact O-N 3.29Å; R35-I40 HydrophobicContact CB-CG1 4.03Å | ||
| 36 | S | 78.8 | Confident | 70.7 | Confident | 70 Ų | 70 | 93.7 Ų | 93.7 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | trans | -49.5 | 145.2 | 165.2 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | V38 R39 I40 | S36-V38 PolarHBondContact O-N 2.92Å; S36-V38 VanDerWaalsContact O-N 3.11Å; S36-V38 PolarHBondContact OG-N 2.82Å; S36-R39 WeakPolarHBondContact O-CA 3.34Å; S36-R39 WeakPolarHBondContact O-CB 3.39Å; S36-R39 PolarHBondContact O-N 2.89Å; S36-I40 PolarHBondContact O-N 3.46Å; S36-I40 VanDerWaalsContact O-N 3.11Å | ||
| 37 | I | 77.3 | Confident | 71.1 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 26% | 0.262 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -44.6 | -41.5 | 171.8 | -173 | -169.1 | 0 | 0 | 0 | 112.3 | L8 W26 R39 I40 I41 | L8-I37 HydrophobicContact CD1-CD1 3.7Å; W26-I37 HydrophobicContact CE3-CD1 4.15Å; W26-I37 HydrophobicContact CE3-CG1 4.28Å; W26-I37 HydrophobicContact CH2-CD1 3.02Å; W26-I37 HydrophobicContact CH2-CG1 3.95Å; W26-I37 HydrophobicContact CZ2-CD1 3.74Å; W26-I37 HydrophobicContact CZ2-CG1 4.46Å; W26-I37 HydrophobicContact CZ3-CD1 3.25Å; W26-I37 HydrophobicContact CZ3-CG1 3.83Å; I37-R39 VanDerWaalsContact C-N 3.29Å; I37-R39 PolarHBondContact O-N 2.91Å; I37-I40 WeakPolarHBondContact O-CB 3.45Å; I37-I40 PolarHBondContact O-N 3.04Å; I37-I40 VanDerWaalsContact O-N 3.14Å; I37-I41 HydrophobicContact CD1-CD1 4.25Å; I37-I41 HydrophobicContact CG1-CD1 3.91Å; I37-I41 WeakPolarHBondContact O-CG1 3.1Å; I37-I41 PolarHBondContact O-N 2.92Å |
| 38 | V | 81.1 | Confident | 71.8 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -39.9 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | S36 G42 | S36-V38 PolarHBondContact O-N 2.92Å; S36-V38 VanDerWaalsContact O-N 3.11Å; S36-V38 PolarHBondContact OG-N 2.82Å; V38-G42 PolarHBondContact O-N 3.13Å |
| 39 | R | 81.5 | Confident | 72.5 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.3 | -22.6 | -179.8 | -166.6 | 167.1 | -177.7 | 81.6 | -6.8 | 112.7 | S36 I37 | S36-R39 WeakPolarHBondContact O-CA 3.34Å; S36-R39 WeakPolarHBondContact O-CB 3.39Å; S36-R39 PolarHBondContact O-N 2.89Å; I37-R39 VanDerWaalsContact C-N 3.29Å; I37-R39 PolarHBondContact O-N 2.91Å |
| 40 | I | 78.6 | Confident | 72.9 | Confident | 24 Ų | 24 | 98.4 Ų | 98.4 | 12% | 0.123 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -73.8 | -51.8 | 171.5 | -62.7 | 171.7 | 0 | 0 | 0 | 108.6 | R35 S36 I37 G42 K43 M44 | R35-I40 HydrophobicContact CB-CG1 4.03Å; S36-I40 PolarHBondContact O-N 3.46Å; S36-I40 VanDerWaalsContact O-N 3.11Å; I37-I40 WeakPolarHBondContact O-CB 3.45Å; I37-I40 PolarHBondContact O-N 3.04Å; I37-I40 VanDerWaalsContact O-N 3.14Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.46Å; I40-K43 WeakPolarHBondContact O-CB 3.44Å; I40-K43 PolarHBondContact O-N 2.91Å; I40-K43 VanDerWaalsContact O-N 3.09Å; I40-M44 WeakPolarHBondContact O-CG 3.37Å; I40-M44 PolarHBondContact O-N 2.97Å |
| 41 | I | 80.1 | Confident | 74.1 | Confident | 32 Ų | 32 | 103.1 Ų | 103.1 | 16% | 0.164 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 177.3 | -67.4 | 167.2 | 0 | 0 | 0 | 110.8 | L8 L12 I37 K43 M44 L45 | L8-I41 HydrophobicContact CD2-CD1 3.84Å; L12-I41 HydrophobicContact CD2-CG2 4.06Å; I37-I41 HydrophobicContact CD1-CD1 4.25Å; I37-I41 HydrophobicContact CG1-CD1 3.91Å; I37-I41 WeakPolarHBondContact O-CG1 3.1Å; I37-I41 PolarHBondContact O-N 2.92Å; I41-K43 PolarHBondContact O-N 3.26Å; I41-M44 PolarHBondContact O-N 3.38Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 HydrophobicContact CG2-CG 4.12Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.07Å |
| 42 | G | 81.1 | Confident | 75.6 | Confident | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -14.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V38 I40 | V38-G42 PolarHBondContact O-N 3.13Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 3.46Å |
| 43 | K | 77.5 | Confident | 76.8 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -86.2 | -25.5 | 170.3 | -79.6 | -174.9 | 163.9 | -158.3 | 0 | 113.6 | I40 I41 | I40-K43 WeakPolarHBondContact O-CB 3.44Å; I40-K43 PolarHBondContact O-N 2.91Å; I40-K43 VanDerWaalsContact O-N 3.09Å; I41-K43 PolarHBondContact O-N 3.26Å |
| 44 | M | 74.8 | Confident | 77.8 | Confident | 63 Ų | 63 | 107.2 Ų | 107.2 | 31% | 0.31 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -90.8 | -21.9 | -176.4 | -56.9 | -58 | -110.2 | 0 | 0 | 111.8 | V17 V22 I25 I40 I41 | V17-M44 HydrophobicContact CG1-CB 3.72Å; V17-M44 WeakPolarHBondContact CG2-O 3.07Å; V22-M44 HydrophobicContact CG2-CE 3.65Å; V22-M44 HydrophobicContact CG2-CG 4.28Å; I25-M44 HydrophobicContact CD1-CE 4.46Å; I40-M44 WeakPolarHBondContact O-CG 3.37Å; I40-M44 PolarHBondContact O-N 2.97Å; I41-M44 PolarHBondContact O-N 3.38Å |
| 45 | L | 80.9 | Confident | 78.8 | Confident | 36 Ų | 36 | 109 Ų | 109 | 19% | 0.188 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -72.5 | 144.4 | 172.6 | -65.4 | 174.6 | 0 | 0 | 0 | 110.3 | F15 V17 I41 L47 | F15-L45 HydrophobicContact CB-CD2 3.8Å; F15-L45 HydrophobicContact CD1-CD2 4.41Å; F15-L45 HydrophobicContact CD2-CD2 3.74Å; F15-L45 HydrophobicContact CE2-CD2 4.48Å; F15-L45 HydrophobicContact CG-CD2 3.73Å; V17-L45 HydrophobicContact CG2-CD2 4.27Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 HydrophobicContact CG2-CG 4.12Å; I41-L45 WeakPolarHBondContact O-CG 3.44Å; I41-L45 PolarHBondContact O-N 2.99Å; I41-L45 VanDerWaalsContact O-N 3.07Å; L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CD2 4.44Å; L45-L47 HydrophobicContact CB-CG 3.69Å; L45-L47 HydrophobicContact CD1-CD1 4.08Å; L45-L47 PolarHBondContact O-N 3.39Å |
| 46 | P | 77.9 | Confident | 79.1 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 73% | 0.734 | 57% | 0.573 | S | S | * | * | trans | -74 | 62.4 | 175.5 | 32.8 | -36.2 | 0 | 0 | 0 | 110.8 | ||||
| 47 | L | 78.1 | Confident | 78.7 | Confident | 114 Ų | 114 | 116.7 Ų | 116.7 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 137.6 | 179 | -58.7 | 176.8 | 0 | 0 | 0 | 109.7 | L45 | L45-L47 HydrophobicContact CB-CD1 3.92Å; L45-L47 HydrophobicContact CB-CD2 4.44Å; L45-L47 HydrophobicContact CB-CG 3.69Å; L45-L47 HydrophobicContact CD1-CD1 4.08Å; L45-L47 PolarHBondContact O-N 3.39Å |
| 48 | E | 82.1 | Confident | 78.4 | Confident | 172 Ų | 172 | 121.4 Ų | 121.4 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.5 | 170.9 | -165.5 | 173.5 | 178 | 0 | 0 | 109.5 | C50 | E48-C50 PolarHBondContact O-N 2.85Å; E48-C50 VanDerWaalsContact O-N 3.11Å |
| 49 | P | 80.7 | Confident | 77.7 | Confident | 115 Ų | 115 | 121.7 Ų | 121.7 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.7 | 175.9 | -24.5 | 33.8 | 0 | 0 | 0 | 110.7 | R51 | P49-R51 PolarHBondContact O-N 3.47Š|
| 50 | C | 73.8 | Confident | 76.5 | Confident | 119 Ų | 119 | 122.2 Ų | 122.2 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.7 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | E48 R52 | E48-C50 PolarHBondContact O-N 2.85Å; E48-C50 VanDerWaalsContact O-N 3.11Å; C50-R52 PolarHBondContact O-N 2.71Å; C50-R52 VanDerWaalsContact O-N 3.11Å |
| 51 | R | 81.8 | Confident | 75.3 | Confident | 239 Ų | 239 | 129 Ų | 129 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.6 | 172.9 | -68 | -163.6 | -178.6 | -170.8 | 2.2 | 108.7 | P49 | P49-R51 PolarHBondContact O-N 3.47Š|
| 52 | R | 80.3 | Confident | 73.5 | Confident | 189 Ų | 189 | 134.8 Ų | 134.8 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 133 | 173 | -65.4 | -171.9 | -175.2 | 173.1 | 7.4 | 107.8 | C50 N54 | C50-R52 PolarHBondContact O-N 2.71Å; C50-R52 VanDerWaalsContact O-N 3.11Å; R52-N54 PolarHBondContact O-N 2.89Å; R52-N54 VanDerWaalsContact O-N 3.11Å |
| 53 | P | 81.7 | Confident | 71.9 | Confident | 102 Ų | 102 | 137.7 Ų | 137.7 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 118.6 | 169.2 | 24.7 | -30.5 | 0 | 0 | 0 | 107.6 | F55 | P53-F55 HydrophobicContact CB-CZ 4.44Š|
| 54 | N | 76.9 | Confident | 70.5 | Confident | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 120.2 | 171.1 | -63.7 | -41.8 | 0 | 0 | 0 | 106.2 | R52 E56 | R52-N54 PolarHBondContact O-N 2.89Å; R52-N54 VanDerWaalsContact O-N 3.11Å; N54-E56 PolarHBondContact O-N 3.32Å |
| 55 | F | 79.4 | Confident | 69.3 | Low | 183 Ų | 183 | 141.9 Ų | 141.9 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -84.8 | 107.6 | 169.8 | -59.2 | -77.8 | 0 | 0 | 0 | 106.7 | P53 L57 | P53-F55 HydrophobicContact CB-CZ 4.44Å; F55-L57 PolarHBondContact O-N 3.49Å | ||
| 56 | E | 76.9 | Confident | 67.7 | Low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -73.3 | 115.4 | 165.7 | -70.1 | 179.7 | -175.7 | 0 | 0 | 106.8 | N54 I58 | N54-E56 PolarHBondContact O-N 3.32Å; E56-I58 PolarHBondContact O-N 3.16Å | ||
| 57 | L | 69.7 | Low | 66.4 | Low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 105.8 | 168.1 | -69 | 171.3 | 0 | 0 | 0 | 106.2 | F55 P59 | F55-L57 PolarHBondContact O-N 3.49Å; L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.29Å; L57-P59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | I | 70.6 | Confident | 65.3 | Low | 150 Ų | 150 | 149.7 Ų | 149.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 120.1 | 170.4 | -60.1 | 174 | 0 | 0 | 0 | 105.9 | E56 L60 | E56-I58 PolarHBondContact O-N 3.16Å; I58-L60 PolarHBondContact O-N 3.31Å | ||
| 59 | P | 66.6 | Low | 63.5 | Low | 112 Ų | 112 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -56.7 | 112.2 | 172.3 | -20.4 | 31.7 | 0 | 0 | 0 | 106.9 | L57 L61 | L57-P59 VanDerWaalsContact O-CD 3.28Å; L57-P59 WeakPolarHBondContact O-CD 3.29Å; L57-P59 VanDerWaalsContact O-N 3.14Å; P59-L61 PolarHBondContact O-N 3.12Å; P59-L61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | L | 57.3 | Low | 62 | Low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -46.3 | 124.3 | 171.3 | -172.4 | 72.7 | 0 | 0 | 0 | 106.3 | I58 N62 | I58-L60 PolarHBondContact O-N 3.31Å; L60-N62 PolarHBondContact O-N 3.01Å | ||
| 61 | L | 53.3 | Low | 61.2 | Low | 167 Ų | 167 | 144.2 Ų | 144.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -43.8 | 110.6 | 174.5 | -115.6 | 91.6 | 0 | 0 | 0 | 106.9 | P59 S63 | P59-L61 PolarHBondContact O-N 3.12Å; P59-L61 VanDerWaalsContact O-N 3.13Å; L61-S63 PolarHBondContact O-N 3.34Å | ||
| 62 | N | 42 | Very low | 60.3 | Low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -56 | 115.6 | 177.9 | -75.4 | -33 | 0 | 0 | 0 | 106.2 | L60 V64 | L60-N62 PolarHBondContact O-N 3.01Å; N62-V64 PolarHBondContact O-N 3.26Å; N62-V64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | S | 47.1 | Very low | 59.3 | Low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -31.9 | 116 | 163.9 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | L61 D65 | L61-S63 PolarHBondContact O-N 3.34Å; S63-D65 PolarHBondContact O-N 2.96Å | ||
| 64 | V | 48 | Very low | 58.4 | Low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -50.9 | 131.4 | 155.6 | 169.8 | 0 | 0 | 0 | 0 | 106.3 | N62 S66 | N62-V64 PolarHBondContact O-N 3.26Å; N62-V64 VanDerWaalsContact O-N 3.11Å; V64-S66 PolarHBondContact O-N 3.44Å; V64-S66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | D | 51.1 | Low | 57.8 | Low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -45.2 | 114.3 | -173.1 | -59 | -64.7 | 0 | 0 | 0 | 111.9 | S63 | S63-D65 PolarHBondContact O-N 2.96Š| ||
| 66 | S | 46.5 | Very low | 57 | Low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | -129.3 | 83.4 | 155.7 | -172.4 | 0 | 0 | 0 | 0 | 106.5 | V64 N68 | V64-S66 PolarHBondContact O-N 3.44Å; V64-S66 VanDerWaalsContact O-N 3.11Å; S66-N68 PolarHBondContact O-N 3.48Å | ||
| 67 | E | 50.8 | Low | 56.3 | Low | 186 Ų | 186 | 127.1 Ų | 127.1 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | -43.2 | 129.3 | 157 | -73.8 | 179.1 | 151.9 | 0 | 0 | 107.9 | ||||
| 68 | N | 55 | Low | 56.3 | Low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 82.5 | 78.7 | 179.8 | -161.1 | 29.2 | 0 | 0 | 0 | 116.3 | S66 | S66-N68 PolarHBondContact O-N 3.48Š| ||
| 69 | C | 43.5 | Very low | 56.2 | Low | 108 Ų | 108 | 121.2 Ų | 121.2 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | -158.1 | 133 | 135 | -92.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | G | 50.2 | Low | 56.2 | Low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | trans | -56.7 | 159.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V72 | G70-V72 WeakPolarHBondContact O-CG2 3.25Å; G70-V72 PolarHBondContact O-N 3.01Å | ||
| 71 | S | 55.8 | Low | 56.1 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -33.1 | 96.2 | -175.5 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | V73 | S71-V73 PolarHBondContact O-N 2.91Š| ||
| 72 | V | 63.3 | Low | 56.4 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -74.8 | 103.3 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | G70 P74 | G70-V72 WeakPolarHBondContact O-CG2 3.25Å; G70-V72 PolarHBondContact O-N 3.01Å; V72-P74 WeakPolarHBondContact O-CD 3.32Å | ||
| 73 | V | 59.3 | Low | 57.4 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 68% | 0.679 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.1 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | S71 S75 | S71-V73 PolarHBondContact O-N 2.91Å; V73-S75 PolarHBondContact O-N 3.03Å |
| 74 | P | 62.8 | Low | 57.7 | Low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.4 | 174.4 | -20.3 | 30.3 | 0 | 0 | 0 | 108.5 | V72 | V72-P74 WeakPolarHBondContact O-CD 3.32Š|
| 75 | S | 65.5 | Low | 58.1 | Low | 70 Ų | 70 | 120 Ų | 120 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -98 | 157 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | V73 A77 D78 | V73-S75 PolarHBondContact O-N 3.03Å; S75-A77 PolarHBondContact O-N 2.96Å; S75-D78 PolarHBondContact N-OD2 2.87Å; S75-D78 WeakPolarHBondContact O-CB 3.4Å; S75-D78 PolarHBondContact O-N 3.49Å |
| 76 | F | 60.8 | Low | 58.5 | Low | 184 Ų | 184 | 121.4 Ų | 121.4 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -57.2 | -16.9 | 173.4 | -94.6 | -84.1 | 0 | 0 | 0 | 113.4 | D78 I79 | F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.82Å; F76-I79 HydrophobicContact CD1-CD1 3.78Å; F76-I79 HydrophobicContact CE1-CD1 4.04Å |
| 77 | A | 63.2 | Low | 58.8 | Low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -69.6 | -19.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S75 I79 | S75-A77 PolarHBondContact O-N 2.96Å; A77-I79 VanDerWaalsContact C-N 3.32Å |
| 78 | D | 69.5 | Low | 58.8 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -86.1 | -7.1 | -178.7 | -55.9 | -41.1 | 0 | 0 | 0 | 112.5 | S75 F76 L80 | S75-D78 PolarHBondContact N-OD2 2.87Å; S75-D78 WeakPolarHBondContact O-CB 3.4Å; S75-D78 PolarHBondContact O-N 3.49Å; F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.82Å; D78-L80 PolarHBondContact O-N 3.38Å |
| 79 | I | 69.7 | Low | 58.8 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 44% | 0.441 | 69% | 0.69 | S | S | . | * | trans | -86.6 | 94.8 | 176.8 | -53.6 | 175.1 | 0 | 0 | 0 | 107.6 | F76 A77 Y81 V82 | F76-I79 HydrophobicContact CD1-CD1 3.78Å; F76-I79 HydrophobicContact CE1-CD1 4.04Å; A77-I79 VanDerWaalsContact C-N 3.32Å; I79-Y81 PolarHBondContact O-N 3.32Å; I79-Y81 VanDerWaalsContact O-N 3.12Å; I79-V82 HydrophobicContact CG2-CG2 3.61Å | ||
| 80 | L | 64.9 | Low | 59.2 | Low | 180 Ų | 180 | 122.9 Ų | 122.9 | 94% | 0.942 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -56.7 | -27.7 | -175.8 | -87.7 | 159.8 | 0 | 0 | 0 | 114.1 | D78 | D78-L80 PolarHBondContact O-N 3.38Š|
| 81 | Y | 55.2 | Low | 59.2 | Low | 189 Ų | 189 | 128 Ų | 128 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -168.4 | 122 | 174.7 | -167 | -115.1 | 0 | 0 | 0 | 109.5 | I79 A83 | I79-Y81 PolarHBondContact O-N 3.32Å; I79-Y81 VanDerWaalsContact O-N 3.12Å; Y81-A83 HydrophobicContact CD1-CB 4.2Å; Y81-A83 HydrophobicContact CE1-CB 3.97Å | ||
| 82 | V | 61.3 | Low | 58.9 | Low | 94 Ų | 94 | 133.1 Ų | 133.1 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | trans | -88.4 | 111 | 158.3 | 179.2 | 0 | 0 | 0 | 0 | 104.9 | I79 N84 | I79-V82 HydrophobicContact CG2-CG2 3.61Å; V82-N84 PolarHBondContact O-N 2.86Å | ||
| 83 | A | 61.9 | Low | 58 | Low | 57 Ų | 57 | 136 Ų | 136 | 47% | 0.471 | 71% | 0.709 | S | S | . | * | trans | -58.9 | 110.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y81 D85 | Y81-A83 HydrophobicContact CD1-CB 4.2Å; Y81-A83 HydrophobicContact CE1-CB 3.97Å; A83-D85 PolarHBondContact O-N 2.87Å | ||
| 84 | N | 53.8 | Low | 57.8 | Low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | -70.6 | 85.2 | 167.1 | -99.8 | -1.4 | 0 | 0 | 0 | 106.6 | V82 E86 | V82-N84 PolarHBondContact O-N 2.86Å; N84-E86 PolarHBondContact O-N 3.37Å | ||
| 85 | D | 56 | Low | 57.2 | Low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -71.4 | 90.4 | 161.2 | -79.7 | -13.8 | 0 | 0 | 0 | 106.7 | A83 E87 | A83-D85 PolarHBondContact O-N 2.87Å; D85-E87 PolarHBondContact O-N 2.94Å | ||
| 86 | E | 59 | Low | 56.1 | Low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -4.3 | 174.6 | -88.9 | 175.8 | 149.3 | 0 | 0 | 113.3 | N84 | N84-E86 PolarHBondContact O-N 3.37Š|
| 87 | E | 53.8 | Low | 55.2 | Low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 2.7 | -173.3 | -75.5 | 176.9 | 154 | 0 | 0 | 115.7 | D85 | D85-E87 PolarHBondContact O-N 2.94Š|
| 88 | A | 50.2 | Low | 54.3 | Low | 63 Ų | 63 | 149.8 Ų | 149.8 | 52% | 0.521 | 74% | 0.735 | S | S | . | * | trans | -122 | 62.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y90 | A88-Y90 HydrophobicContact CB-CD2 4.26Å; A88-Y90 PolarHBondContact O-N 3.44Å | ||
| 89 | S | 54.6 | Low | 52.8 | Low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 51.9 | 169.6 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 90 | Y | 51.4 | Low | 51.3 | Low | 203 Ų | 203 | 156.3 Ų | 156.3 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -95.7 | -2.6 | 178.8 | -68.5 | -73.7 | 0 | 0 | 0 | 114.7 | A88 R92 | A88-Y90 HydrophobicContact CB-CD2 4.26Å; A88-Y90 PolarHBondContact O-N 3.44Å; Y90-R92 VanDerWaalsContact C-N 3.3Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-R92 VanDerWaalsContact O-N 3.15Å | ||
| 91 | L | 51.6 | Low | 50.1 | Low | 172 Ų | 172 | 156.4 Ų | 156.4 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | trans | -89.6 | 67.6 | 171.1 | -62.7 | -179.3 | 0 | 0 | 0 | 110.8 | F93 | L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.21Å | ||
| 92 | R | 49.3 | Very low | 49.7 | Very low | 224 Ų | 224 | 156.7 Ų | 156.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -68.9 | 90.5 | 168.9 | -172.2 | -175.3 | -92.7 | -166.5 | -5.3 | 108.9 | Y90 R94 | Y90-R92 VanDerWaalsContact C-N 3.3Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-R92 VanDerWaalsContact O-N 3.15Å; R92-R94 PolarHBondContact O-N 3.38Å | ||
| 93 | F | 44.2 | Very low | 48.6 | Very low | 176 Ų | 176 | 160.2 Ų | 160.2 | 77% | 0.772 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 123.4 | 167.2 | -142.8 | -97.4 | 0 | 0 | 0 | 108 | L91 N95 | L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.21Å; F93-N95 PolarHBondContact O-N 3.2Å | ||
| 94 | R | 55.5 | Low | 47.6 | Very low | 240 Ų | 240 | 167.3 Ų | 167.3 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -2.9 | -169.3 | -100.5 | -173.4 | 170 | -170.5 | -3.2 | 115.7 | R92 | R92-R94 PolarHBondContact O-N 3.38Š|
| 95 | N | 49.2 | Very low | 46.8 | Very low | 145 Ų | 145 | 166.5 Ų | 166.5 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | 32.6 | -169.5 | -81.5 | -0.7 | 0 | 0 | 0 | 115.5 | F93 I97 | F93-N95 PolarHBondContact O-N 3.2Å; N95-I97 PolarHBondContact O-N 3.02Å |
| 96 | S | 42.9 | Very low | 45.8 | Very low | 93 Ų | 93 | 167.4 Ų | 167.4 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 99.6 | 163 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | W98 | S96-W98 PolarHBondContact O-N 2.97Å; S96-W98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | I | 41.4 | Very low | 44.7 | Very low | 156 Ų | 156 | 165.5 Ų | 165.5 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -53.8 | 117.4 | 159.8 | -77.2 | 166.4 | 0 | 0 | 0 | 106.7 | N95 K99 | N95-I97 PolarHBondContact O-N 3.02Å; I97-K99 PolarHBondContact O-N 3.04Å | ||
| 98 | W | 44.5 | Very low | 43.6 | Very low | 218 Ų | 218 | 164.4 Ų | 164.4 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 109.3 | 172.9 | -87.9 | -48.3 | 0 | 0 | 0 | 109.2 | S96 | S96-W98 PolarHBondContact O-N 2.97Å; S96-W98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | K | 38.1 | Very low | 42.9 | Very low | 192 Ų | 192 | 169.2 Ų | 169.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -111.9 | 99.4 | 151.3 | -72.1 | -156.8 | 171.8 | -167.4 | 0 | 106.2 | I97 E101 | I97-K99 PolarHBondContact O-N 3.04Å; K99-E101 PolarHBondContact O-N 3.4Å | ||
| 100 | N | 39.1 | Very low | 41.9 | Very low | 133 Ų | 133 | 169.6 Ų | 169.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -73.7 | 103.5 | 163.2 | -72.6 | -30.5 | 0 | 0 | 0 | 106.5 | ||||
| 101 | E | 39.5 | Very low | 41.2 | Very low | 182 Ų | 182 | 167.4 Ų | 167.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -125.5 | 113.8 | 147.8 | -73.1 | -167.8 | 174 | 0 | 0 | 106.3 | K99 E103 | K99-E101 PolarHBondContact O-N 3.4Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.98Å | ||
| 102 | E | 47.1 | Very low | 40.3 | Very low | 195 Ų | 195 | 167.8 Ų | 167.8 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -70 | 89.2 | 176.2 | -69.1 | 153.7 | 170.7 | 0 | 0 | 108 | ||||
| 103 | E | 37.6 | Very low | 39.5 | Very low | 168 Ų | 168 | 164.6 Ų | 164.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -94.9 | 104.1 | 169.2 | -160 | 169.3 | -163.3 | 0 | 0 | 108.8 | E101 V105 | E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.98Å; E103-V105 PolarHBondContact O-N 2.91Å | ||
| 104 | K | 41.1 | Very low | 38.8 | Very low | 206 Ų | 206 | 162.3 Ų | 162.3 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -57.2 | 97.9 | 164 | -80.8 | -178.4 | 172.8 | -178.2 | 0 | 108.5 | E106 | K104-E106 PolarHBondContact O-N 3.27Š| ||
| 105 | V | 36.5 | Very low | 37.7 | Very low | 117 Ų | 117 | 162.3 Ų | 162.3 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -87.2 | 89.3 | 165.9 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | E103 I107 | E103-V105 PolarHBondContact O-N 2.91Å; V105-I107 PolarHBondContact O-N 3.24Å | ||
| 106 | E | 36.1 | Very low | 36.6 | Very low | 150 Ų | 150 | 162.5 Ų | 162.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -65 | 113.7 | 167.2 | -148.4 | 169.1 | -161.2 | 0 | 0 | 107.9 | K104 F108 | K104-E106 PolarHBondContact O-N 3.27Å; E106-F108 HydrophobicContact CB-CD2 4.27Å; E106-F108 HydrophobicContact CB-CE2 3.95Å; E106-F108 HydrophobicContact CG-CD2 4.24Å; E106-F108 HydrophobicContact CG-CE2 3.53Å; E106-F108 HydrophobicContact CG-CZ 4.12Å; E106-F108 PolarHBondContact O-N 3.15Å | ||
| 107 | I | 34 | Very low | 36.9 | Very low | 141 Ų | 141 | 163.2 Ų | 163.2 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | -68 | 113.1 | 179.4 | -61.5 | 162.2 | 0 | 0 | 0 | 107.8 | V105 | V105-I107 PolarHBondContact O-N 3.24Š| ||
| 108 | F | 32.7 | Very low | 36.3 | Very low | 164 Ų | 164 | 164 Ų | 164 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -121.9 | 130.4 | 166.7 | -75.7 | -74.1 | 0 | 0 | 0 | 111.9 | E106 | E106-F108 HydrophobicContact CB-CD2 4.27Å; E106-F108 HydrophobicContact CB-CE2 3.95Å; E106-F108 HydrophobicContact CG-CD2 4.24Å; E106-F108 HydrophobicContact CG-CE2 3.53Å; E106-F108 HydrophobicContact CG-CZ 4.12Å; E106-F108 PolarHBondContact O-N 3.15Å | ||
| 109 | H | 35.2 | Very low | 36.1 | Very low | 164 Ų | 164 | 158.6 Ų | 158.6 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 147.9 | -175.8 | -63.2 | -86 | 0 | 0 | 0 | 113.6 | ||||
| 110 | P | 33.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -91.4 | 115.5 | 178.8 | 33.2 | -28 | 0 | 0 | 0 | 111.8 | ||||
| 111 | L | 34.9 | Very low | 35.9 | Very low | 157 Ų | 157 | 153 Ų | 153 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -132.3 | 104.6 | 164.5 | -73.9 | 171.8 | 0 | 0 | 0 | 111.2 | ||||
| 112 | Q | 34.3 | Very low | 35.6 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 50.8 | 113.9 | 144.6 | -67 | -179.2 | -6.8 | 0 | 0 | 122.9 | ||||
| 113 | L | 32.9 | Very low | 35.3 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | 65.2 | 112.8 | 117.7 | -141.5 | 151.7 | 0 | 0 | 0 | 119.6 | |||||
| 114 | V | 29.4 | Very low | 35.2 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 167.9 | 113.5 | 126.4 | 162.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 115 | R | 31.2 | Very low | 35.3 | Very low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 33.4 | 122.7 | 144.6 | -158.2 | 173.4 | -75.6 | -124.2 | -0.4 | 123.2 | ||||
| 116 | D | 26.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -49.8 | -175.8 | 163.6 | -59 | -44.5 | 0 | 0 | 0 | 117.2 | ||||
| 117 | P | 48.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -135.2 | 176.1 | -26.7 | 23.3 | 0.3 | 0 | 0 | 0 | 114 | ||||
| 118 | L | 30.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | 151.7 | 131.1 | 132.1 | -77.2 | 162.1 | 0 | 0 | 0 | 113.7 | ||||
| 119 | S | 38.6 | Very low | 37.1 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -84 | 168 | 175 | 84.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 120 | P | 39.9 | Very low | 38 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -156 | 158.9 | 80.1 | 37.3 | -15.1 | 0 | 0 | 0 | 118.7 | |||||
| 121 | A | 33.1 | Very low | 38.9 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 29.9 | 128.3 | 142 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 122 | V | 33.9 | Very low | 39.9 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | -146.8 | 123.6 | 123 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | Q124 | V122-Q124 HydrophobicContact CG1-CG 4.04Š| |||
| 123 | R | 40.6 | Very low | 41.2 | Very low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -71.7 | 122.1 | 163.1 | -71.8 | -146.5 | -97.5 | -174.7 | -8.8 | 108.6 | ||||
| 124 | Q | 35.7 | Very low | 42.6 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -115 | 120.2 | 155.6 | -67.6 | -162.2 | 7 | 0 | 0 | 109.6 | V122 E126 | V122-Q124 HydrophobicContact CG1-CG 4.04Å; Q124-E126 PolarHBondContact O-N 3.2Å | ||
| 125 | K | 44 | Very low | 45.1 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -89.5 | 89.9 | 175.4 | -172.9 | -173.7 | -173.4 | -173.5 | 0 | 104.9 | ||||
| 126 | E | 34.4 | Very low | 47.9 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -110.2 | 106.3 | 169.3 | -78 | -168.7 | 146.8 | 0 | 0 | 109.5 | Q124 V128 | Q124-E126 PolarHBondContact O-N 3.2Å; E126-V128 HydrophobicContact CB-CG2 4.11Å; E126-V128 PolarHBondContact O-N 2.94Å | ||
| 127 | T | 49.1 | Very low | 51 | Low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -71.3 | 85.6 | 161.2 | 46.9 | 0 | 0 | 0 | 0 | 107.7 | K129 | T127-K129 PolarHBondContact O-N 3.41Š| ||
| 128 | V | 40.2 | Very low | 53.2 | Low | 121 Ų | 121 | 129.6 Ų | 129.6 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -82.6 | 102.6 | 168.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | E126 | E126-V128 HydrophobicContact CB-CG2 4.11Å; E126-V128 PolarHBondContact O-N 2.94Å | ||
| 129 | K | 52.8 | Low | 56.3 | Low | 170 Ų | 170 | 125.4 Ų | 125.4 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | trans | -63.3 | 146.3 | 160.1 | -64.1 | -179.8 | 177.2 | -179.7 | 0 | 107.7 | T127 | T127-K129 PolarHBondContact O-N 3.41Š| ||
| 130 | N | 53.1 | Low | 59 | Low | 127 Ų | 127 | 126.7 Ų | 126.7 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | trans | 112.4 | 61.1 | 162 | -49.5 | -44.1 | 0 | 0 | 0 | 117.5 | M132 | N130-M132 VanDerWaalsContact C-N 3.3Š| ||
| 131 | D | 53 | Low | 61.8 | Low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -98.1 | 52 | 142 | -73.7 | -31.7 | 0 | 0 | 0 | 109.5 | ||||
| 132 | M | 56.9 | Low | 64.8 | Low | 139 Ų | 139 | 128.1 Ų | 128.1 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.9 | -23.1 | -167.7 | -160.5 | 69.6 | 88.7 | 0 | 0 | 116.3 | N130 | N130-M132 VanDerWaalsContact C-N 3.3Å |
| 133 | P | 60 | Low | 67.8 | Low | 98 Ų | 98 | 124 Ų | 124 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -90.3 | -31.2 | -177.8 | 31.1 | -30.9 | 0 | 0 | 0 | 114.6 | A137 | P133-A137 PolarHBondContact O-N 3.34Å |
| 134 | V | 63.3 | Low | 70.5 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.2 | -37.9 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | A138 | V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.3Å; V134-A138 VanDerWaalsContact O-N 3.07Å |
| 135 | N | 81.1 | Confident | 73.5 | Confident | 104 Ų | 104 | 111 Ų | 111 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.6 | -40.8 | 178.8 | -164.2 | 1 | 0 | 0 | 0 | 111.7 | A137 A138 I139 | N135-A137 PolarHBondContact O-N 3.28Å; N135-A138 PolarHBondContact O-N 3.47Å; N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.44Å |
| 136 | E | 90.5 | Very high | 76.1 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -40.8 | 177.3 | -172.7 | 62.4 | -153 | 0 | 0 | 112.3 | A138 I139 K140 | E136-A138 VanDerWaalsContact C-N 3.34Å; E136-I139 PolarHBondContact O-N 3.02Å; E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 VanDerWaalsContact OE1-CE 3.26Å; E136-K140 WeakPolarHBondContact OE1-CE 3.36Å; E136-K140 IonicContact OE1-NZ 3.85Å |
| 137 | A | 92 | Very high | 79.1 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 51% | 0.512 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | P133 N135 K141 | P133-A137 PolarHBondContact O-N 3.34Å; N135-A137 PolarHBondContact O-N 3.28Å; A137-K141 WeakPolarHBondContact O-CB 3.21Å; A137-K141 PolarHBondContact O-N 2.9Å |
| 138 | A | 94.8 | Very high | 81.4 | Confident | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V134 N135 E136 K140 K141 I142 | V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.3Å; V134-A138 VanDerWaalsContact O-N 3.07Å; N135-A138 PolarHBondContact O-N 3.47Å; E136-A138 VanDerWaalsContact C-N 3.34Å; A138-K140 PolarHBondContact O-N 2.88Å; A138-K141 PolarHBondContact O-N 3.39Å; A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.39Å |
| 139 | I | 94.8 | Very high | 84.2 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.5 | -44.2 | 177 | -67.7 | 163.4 | 0 | 0 | 0 | 110.8 | N135 E136 K141 I142 A143 | N135-I139 VanDerWaalsContact O-CG1 3.24Å; N135-I139 WeakPolarHBondContact O-CG1 3.43Å; N135-I139 PolarHBondContact O-N 3.44Å; E136-I139 PolarHBondContact O-N 3.02Å; I139-K141 VanDerWaalsContact C-N 3.33Å; I139-K141 PolarHBondContact O-N 3.39Å; I139-I142 PolarHBondContact O-N 3.43Å; I139-A143 PolarHBondContact O-N 3.22Å |
| 140 | K | 96.5 | Very high | 86.4 | Confident | 131 Ų | 131 | 99 Ų | 99 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 175.6 | -73.3 | 173.8 | -177.4 | 171.9 | 0 | 112.7 | E136 A138 A143 A144 | E136-K140 WeakPolarHBondContact O-CG 3.45Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 VanDerWaalsContact OE1-CE 3.26Å; E136-K140 WeakPolarHBondContact OE1-CE 3.36Å; E136-K140 IonicContact OE1-NZ 3.85Å; A138-K140 PolarHBondContact O-N 2.88Å; K140-A143 PolarHBondContact O-N 3.32Å; K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 2.92Å |
| 141 | K | 97.2 | Very high | 88.5 | Confident | 145 Ų | 145 | 99.3 Ų | 99.3 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 176.1 | -171.6 | 173.7 | -178.5 | 177.9 | 0 | 111.7 | A137 A138 I139 A144 L145 | A137-K141 WeakPolarHBondContact O-CB 3.21Å; A137-K141 PolarHBondContact O-N 2.9Å; A138-K141 PolarHBondContact O-N 3.39Å; I139-K141 VanDerWaalsContact C-N 3.33Å; I139-K141 PolarHBondContact O-N 3.39Å; K141-A144 PolarHBondContact O-N 2.98Å; K141-L145 HydrophobicContact CG-CD1 4.35Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.11Å |
| 142 | I | 96.7 | Very high | 90.7 | Very high | 93 Ų | 93 | 96.5 Ų | 96.5 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 174.3 | -68.1 | 163.6 | 0 | 0 | 0 | 109.7 | A138 I139 A144 L145 E146 | A138-I142 VanDerWaalsContact O-CG1 3.29Å; A138-I142 WeakPolarHBondContact O-CG1 3.44Å; A138-I142 PolarHBondContact O-N 3.39Å; I139-I142 PolarHBondContact O-N 3.43Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.83Å; I142-L145 PolarHBondContact O-N 3.33Å; I142-E146 HydrophobicContact CG2-CG 4.4Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 2.86Å |
| 143 | A | 97.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 97.9 Ų | 97.9 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I139 K140 E146 N147 | I139-A143 PolarHBondContact O-N 3.22Å; K140-A143 PolarHBondContact O-N 3.32Å; A143-E146 PolarHBondContact O-N 3.03Å; A143-N147 VanDerWaalsContact O-CG 3.3Å; A143-N147 PolarHBondContact O-N 3.32Å; A143-N147 VanDerWaalsContact O-N 3.07Å; A143-N147 PolarHBondContact O-ND2 3.38Å |
| 144 | A | 97.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 96.7 Ų | 96.7 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K140 K141 I142 E146 N147 E148 | K140-A144 WeakPolarHBondContact O-CB 3.33Å; K140-A144 PolarHBondContact O-N 2.92Å; K141-A144 PolarHBondContact O-N 2.98Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.83Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 PolarHBondContact O-N 2.94Å; A144-N147 PolarHBondContact O-N 3.5Å; A144-E148 PolarHBondContact O-N 3Å |
| 145 | L | 98.5 | Very high | 96.1 | Very high | 86 Ų | 86 | 95.7 Ų | 95.7 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 177.7 | -70.1 | 172.5 | 0 | 0 | 0 | 112.4 | K141 I142 E148 L149 | K141-L145 HydrophobicContact CG-CD1 4.35Å; K141-L145 VanDerWaalsContact O-CG 3.29Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.11Å; I142-L145 PolarHBondContact O-N 3.33Å; L145-E148 PolarHBondContact O-N 2.89Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.33Å |
| 146 | E | 97.5 | Very high | 96.9 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 174.8 | -73.8 | 175.7 | 169.7 | 0 | 0 | 112 | I142 A143 A144 L149 T150 | I142-E146 HydrophobicContact CG2-CG 4.4Å; I142-E146 WeakPolarHBondContact O-CG 3.43Å; I142-E146 PolarHBondContact O-N 2.86Å; A143-E146 PolarHBondContact O-N 3.03Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 PolarHBondContact O-N 2.94Å; E146-L149 PolarHBondContact O-N 3.16Å; E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.29Å |
| 147 | N | 98 | Very high | 97.3 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 174.9 | -71 | -28.4 | 0 | 0 | 0 | 111.7 | A143 A144 T150 F151 | A143-N147 VanDerWaalsContact O-CG 3.3Å; A143-N147 PolarHBondContact O-N 3.32Å; A143-N147 VanDerWaalsContact O-N 3.07Å; A143-N147 PolarHBondContact O-ND2 3.38Å; A144-N147 PolarHBondContact O-N 3.5Å; N147-T150 PolarHBondContact O-N 2.96Å; N147-F151 PolarHBondContact O-N 3.11Å |
| 148 | E | 98.1 | Very high | 97.5 | Very high | 131 Ų | 131 | 92.6 Ų | 92.6 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 176.4 | -72.5 | 178.3 | -164.9 | 0 | 0 | 112.1 | A144 L145 T150 F151 L152 | A144-E148 PolarHBondContact O-N 3Å; L145-E148 PolarHBondContact O-N 2.89Å; E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 2.87Å; E148-F151 PolarHBondContact O-N 3.15Å; E148-L152 WeakPolarHBondContact O-CB 3.47Å; E148-L152 PolarHBondContact O-N 2.93Å |
| 149 | L | 98.4 | Very high | 97.6 | Very high | 84 Ų | 84 | 95.3 Ų | 95.3 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175 | -82.2 | 169.7 | 0 | 0 | 0 | 112.1 | L145 E146 L152 R153 | L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.33Å; E146-L149 PolarHBondContact O-N 3.16Å; L149-L152 PolarHBondContact O-N 3.06Å; L149-R153 WeakPolarHBondContact O-CB 3.24Å; L149-R153 VanDerWaalsContact O-CG 3.24Å; L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.79Å |
| 150 | T | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 94 Ų | 94 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176.1 | -57 | 0 | 0 | 0 | 0 | 110.4 | E146 N147 E148 R153 S154 | E146-T150 WeakPolarHBondContact O-CB 3.34Å; E146-T150 PolarHBondContact O-N 2.99Å; E146-T150 PolarHBondContact O-OG1 3.29Å; N147-T150 PolarHBondContact O-N 2.96Å; E148-T150 VanDerWaalsContact C-N 3.32Å; E148-T150 PolarHBondContact O-N 2.87Å; T150-R153 PolarHBondContact O-N 3.29Å; T150-S154 PolarHBondContact O-N 3.11Å; T150-S154 PolarHBondContact O-OG 2.9Å; T150-S154 VanDerWaalsContact O-OG 3.1Å |
| 151 | F | 98.3 | Very high | 97.6 | Very high | 134 Ų | 134 | 94.4 Ų | 94.4 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 175.1 | -179.7 | -108.6 | 0 | 0 | 0 | 112.6 | N147 E148 S154 Q155 | N147-F151 PolarHBondContact O-N 3.11Å; E148-F151 PolarHBondContact O-N 3.15Å; F151-S154 PolarHBondContact O-N 3.14Å; F151-Q155 VanDerWaalsContact CZ-NE2 3.28Å; F151-Q155 PolarHBondContact O-N 3.11Å |
| 152 | L | 98.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.4 | -176.1 | 63.3 | 0 | 0 | 0 | 111.9 | E148 L149 S154 Q155 I156 | E148-L152 WeakPolarHBondContact O-CB 3.47Å; E148-L152 PolarHBondContact O-N 2.93Å; L149-L152 PolarHBondContact O-N 3.06Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.86Å; L152-Q155 PolarHBondContact O-N 3.34Å; L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.06Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.26Å; L152-I156 PolarHBondContact O-N 3.23Å |
| 153 | R | 98.4 | Very high | 97 | Very high | 168 Ų | 168 | 94.8 Ų | 94.8 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 175 | -75.2 | 169.7 | 178.4 | 163.4 | 0.3 | 111.7 | L149 T150 I156 A157 | L149-R153 WeakPolarHBondContact O-CB 3.24Å; L149-R153 VanDerWaalsContact O-CG 3.24Å; L149-R153 WeakPolarHBondContact O-CG 3.37Å; L149-R153 PolarHBondContact O-N 2.79Å; T150-R153 PolarHBondContact O-N 3.29Å; R153-I156 PolarHBondContact O-N 3.07Å; R153-A157 WeakPolarHBondContact O-CB 3.29Å; R153-A157 PolarHBondContact O-N 3.23Å |
| 154 | S | 97.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | T150 F151 L152 A157 A158 | T150-S154 PolarHBondContact O-N 3.11Å; T150-S154 PolarHBondContact O-OG 2.9Å; T150-S154 VanDerWaalsContact O-OG 3.1Å; F151-S154 PolarHBondContact O-N 3.14Å; L152-S154 VanDerWaalsContact C-N 3.34Å; L152-S154 PolarHBondContact O-N 2.86Å; S154-A157 PolarHBondContact O-N 2.9Å; S154-A158 PolarHBondContact O-N 3.17Å |
| 155 | Q | 98.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174 | -96.7 | -172.4 | 66.3 | 0 | 0 | 112.3 | F151 L152 A157 A158 I159 | F151-Q155 VanDerWaalsContact CZ-NE2 3.28Å; F151-Q155 PolarHBondContact O-N 3.11Å; L152-Q155 PolarHBondContact O-N 3.34Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.85Å; Q155-A158 PolarHBondContact O-N 3.31Å; Q155-I159 WeakPolarHBondContact O-CG1 3.47Å; Q155-I159 PolarHBondContact O-N 3.29Å |
| 156 | I | 97.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 176.9 | -68 | 166.4 | 0 | 0 | 0 | 109.9 | L152 R153 A158 I159 V160 | L152-I156 HydrophobicContact CD1-CD1 4.46Å; L152-I156 HydrophobicContact CG-CD1 4.06Å; L152-I156 VanDerWaalsContact O-CG1 3.31Å; L152-I156 WeakPolarHBondContact O-CG1 3.26Å; L152-I156 PolarHBondContact O-N 3.23Å; R153-I156 PolarHBondContact O-N 3.07Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.04Å; I156-I159 PolarHBondContact O-N 3.47Å; I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.25Å |
| 157 | A | 97.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R153 S154 Q155 I159 V160 E161 | R153-A157 WeakPolarHBondContact O-CB 3.29Å; R153-A157 PolarHBondContact O-N 3.23Å; S154-A157 PolarHBondContact O-N 2.9Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.85Å; A157-I159 PolarHBondContact O-N 3.35Å; A157-V160 PolarHBondContact O-N 2.91Å; A157-E161 WeakPolarHBondContact O-CB 3.5Å; A157-E161 PolarHBondContact O-N 3.44Å |
| 158 | A | 96.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S154 Q155 I156 V160 E161 M162 | S154-A158 PolarHBondContact O-N 3.17Å; Q155-A158 PolarHBondContact O-N 3.31Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.04Å; A158-V160 VanDerWaalsContact C-N 3.35Å; A158-E161 PolarHBondContact O-N 3.19Å; A158-M162 WeakPolarHBondContact O-CB 3.31Å; A158-M162 WeakPolarHBondContact O-CG 3.39Å; A158-M162 PolarHBondContact O-N 3.45Å |
| 159 | I | 96.9 | Very high | 90.8 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.7 | -68 | 166.2 | 0 | 0 | 0 | 110.8 | Q155 I156 A157 M162 Q163 | Q155-I159 WeakPolarHBondContact O-CG1 3.47Å; Q155-I159 PolarHBondContact O-N 3.29Å; I156-I159 PolarHBondContact O-N 3.47Å; A157-I159 PolarHBondContact O-N 3.35Å; I159-M162 PolarHBondContact O-N 3.03Å; I159-Q163 VanDerWaalsContact O-CB 3.28Å; I159-Q163 WeakPolarHBondContact O-CB 3.43Å; I159-Q163 PolarHBondContact O-N 2.9Å |
| 160 | V | 96.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | I156 A157 A158 M162 Q163 E164 | I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.25Å; A157-V160 PolarHBondContact O-N 2.91Å; A158-V160 VanDerWaalsContact C-N 3.35Å; V160-M162 PolarHBondContact O-N 3.27Å; V160-Q163 CarbonylContact O-C 3.57Å; V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.88Å; V160-Q163 VanDerWaalsContact O-N 3.11Å; V160-E164 HydrophobicContact CG1-CG 4.38Å; V160-E164 WeakPolarHBondContact O-CG 3.42Å; V160-E164 PolarHBondContact O-N 2.93Å |
| 161 | E | 95 | Very high | 86.6 | Confident | 139 Ų | 139 | 100.8 Ų | 100.8 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 177.2 | -173.7 | 177.1 | -174.6 | 0 | 0 | 111.8 | A157 A158 Q163 E164 L165 | A157-E161 WeakPolarHBondContact O-CB 3.5Å; A157-E161 PolarHBondContact O-N 3.44Å; A158-E161 PolarHBondContact O-N 3.19Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.43Å; E161-E164 PolarHBondContact O-N 3.05Å; E161-L165 WeakPolarHBondContact O-CB 3.29Å; E161-L165 PolarHBondContact O-N 3.09Å |
| 162 | M | 90.7 | Very high | 84.2 | Confident | 138 Ų | 138 | 99.4 Ų | 99.4 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | 174.3 | -71 | 176.7 | 73.1 | 0 | 0 | 112.2 | A158 I159 V160 K166 | A158-M162 WeakPolarHBondContact O-CB 3.31Å; A158-M162 WeakPolarHBondContact O-CG 3.39Å; A158-M162 PolarHBondContact O-N 3.45Å; I159-M162 PolarHBondContact O-N 3.03Å; V160-M162 PolarHBondContact O-N 3.27Å; M162-K166 VanDerWaalsContact O-CB 3.26Å; M162-K166 WeakPolarHBondContact O-CB 3.2Å; M162-K166 PolarHBondContact O-N 3.43Å |
| 163 | Q | 91.4 | Very high | 81.9 | Confident | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 176.9 | -176.1 | 172.5 | 33.8 | 0 | 0 | 111.6 | I159 V160 E161 K166 N167 | I159-Q163 VanDerWaalsContact O-CB 3.28Å; I159-Q163 WeakPolarHBondContact O-CB 3.43Å; I159-Q163 PolarHBondContact O-N 2.9Å; V160-Q163 CarbonylContact O-C 3.57Å; V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.88Å; V160-Q163 VanDerWaalsContact O-N 3.11Å; E161-Q163 VanDerWaalsContact C-N 3.3Å; E161-Q163 PolarHBondContact O-N 3.43Å; Q163-K166 PolarHBondContact O-N 2.95Å; Q163-N167 VanDerWaalsContact O-CB 3.27Å; Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.34Å; Q163-N167 PolarHBondContact O-ND2 2.84Å |
| 164 | E | 85.9 | Confident | 79 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.3 | -42.6 | 175.3 | -73.8 | -176.9 | 177.8 | 0 | 0 | 111.4 | V160 E161 N167 S168 | V160-E164 HydrophobicContact CG1-CG 4.38Å; V160-E164 WeakPolarHBondContact O-CG 3.42Å; V160-E164 PolarHBondContact O-N 2.93Å; E161-E164 PolarHBondContact O-N 3.05Å; E164-N167 PolarHBondContact O-N 3.03Å; E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.04Å |
| 165 | L | 85.2 | Confident | 76 | Confident | 129 Ų | 129 | 100.7 Ų | 100.7 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -42 | 174.8 | -172.4 | 128.5 | 0 | 0 | 0 | 112 | E161 S168 A169 | E161-L165 WeakPolarHBondContact O-CB 3.29Å; E161-L165 PolarHBondContact O-N 3.09Å; L165-S168 PolarHBondContact O-N 2.81Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.07Å |
| 166 | K | 82.5 | Confident | 73.5 | Confident | 136 Ų | 136 | 103.5 Ų | 103.5 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.2 | -41.9 | 174.5 | -179.8 | 178.4 | 175.5 | -178.2 | 0 | 112.1 | M162 Q163 A169 N170 | M162-K166 VanDerWaalsContact O-CB 3.26Å; M162-K166 WeakPolarHBondContact O-CB 3.2Å; M162-K166 PolarHBondContact O-N 3.43Å; Q163-K166 PolarHBondContact O-N 2.95Å; K166-A169 PolarHBondContact O-N 3.39Å; K166-N170 VanDerWaalsContact O-CG 3.23Å; K166-N170 PolarHBondContact O-N 2.9Å; K166-N170 VanDerWaalsContact O-N 3.08Å; K166-N170 PolarHBondContact O-ND2 3.11Å |
| 167 | N | 75.6 | Confident | 71 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.7 | -35.5 | 178.6 | -69.1 | -17.3 | 0 | 0 | 0 | 111.6 | Q163 E164 N170 S171 | Q163-N167 VanDerWaalsContact O-CB 3.27Å; Q163-N167 WeakPolarHBondContact O-CB 3.36Å; Q163-N167 PolarHBondContact O-N 3.34Å; Q163-N167 PolarHBondContact O-ND2 2.84Å; E164-N167 PolarHBondContact O-N 3.03Å; N167-N170 PolarHBondContact O-N 3.35Å; N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.16Å; N167-S171 VanDerWaalsContact O-N 3.13Å |
| 168 | S | 66.6 | Low | 68 | Low | 77 Ų | 77 | 110.6 Ų | 110.6 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.6 | -46.9 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | E164 L165 N170 S171 S172 | E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.33Å; E164-S168 PolarHBondContact O-N 3.04Å; L165-S168 PolarHBondContact O-N 2.81Å; S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.41Å; S168-S172 PolarHBondContact O-N 2.93Å |
| 169 | A | 61.3 | Low | 65.5 | Low | 64 Ų | 64 | 117.3 Ų | 117.3 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.1 | -31.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L165 K166 S171 S172 | L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.07Å; K166-A169 PolarHBondContact O-N 3.39Å; A169-S171 VanDerWaalsContact C-N 3.35Å; A169-S172 PolarHBondContact O-OG 3.47Å |
| 170 | N | 56.2 | Low | 63.7 | Low | 116 Ų | 116 | 117 Ų | 117 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.1 | -9.2 | 175.3 | -65.6 | -34.9 | 0 | 0 | 0 | 113.6 | K166 N167 S168 | K166-N170 VanDerWaalsContact O-CG 3.23Å; K166-N170 PolarHBondContact O-N 2.9Å; K166-N170 VanDerWaalsContact O-N 3.08Å; K166-N170 PolarHBondContact O-ND2 3.11Å; N167-N170 PolarHBondContact O-N 3.35Å; S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 PolarHBondContact O-N 3.07Å |
| 171 | S | 52.2 | Low | 60.9 | Low | 81 Ų | 81 | 121.6 Ų | 121.6 | 57% | 0.566 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -98.4 | -5.4 | 178.5 | 80.1 | 0 | 0 | 0 | 0 | 114.1 | N167 S168 A169 S173 | N167-S171 WeakPolarHBondContact O-CB 3.34Å; N167-S171 PolarHBondContact O-N 3.16Å; N167-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-N 3.36Å; S168-S171 VanDerWaalsContact O-N 3.08Å; S168-S171 PolarHBondContact O-OG 3.41Å; A169-S171 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.11Å |
| 172 | S | 47.3 | Very low | 58 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -78.8 | 12.1 | -177.3 | 76 | 0 | 0 | 0 | 0 | 114.7 | S168 A169 | S168-S172 PolarHBondContact O-N 2.93Å; A169-S172 PolarHBondContact O-OG 3.47Å |
| 173 | S | 49.8 | Very low | 55.5 | Low | 83 Ų | 83 | 121 Ų | 121 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -120.3 | 85.5 | 166.4 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | S171 | S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.11Å |
| 174 | F | 37.6 | Very low | 52.7 | Low | 198 Ų | 198 | 118.9 Ų | 118.9 | 87% | 0.868 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 160.4 | 114.5 | 145.8 | -75.5 | -55.1 | 0 | 0 | 0 | 109.6 | ||
| 175 | G | 34 | Very low | 50.4 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 81% | 0.814 | 70% | 0.699 | S | S | * | * | trans | 99 | 83.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 176 | L | 45.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | 6.7 | 136.1 | 140.8 | -83.8 | 158 | 0 | 0 | 0 | 121.9 | ||||
| 177 | N | 46.2 | Very low | 45.7 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | trans | 73.3 | 108.5 | 144.5 | -55.5 | -35.1 | 0 | 0 | 0 | 120 | ||||
| 178 | D | 35 | Very low | 43.8 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | -173.2 | 142.9 | 99.1 | -102.3 | -22.3 | 0 | 0 | 0 | 112.3 | |||||
| 179 | K | 44.2 | Very low | 42.3 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | -133.4 | 157 | 177.5 | 177.9 | 176.4 | 177.7 | 168.5 | 0 | 105.4 | ||||
| 180 | P | 58.1 | Low | 40.8 | Very low | 95 Ų | 95 | 132 Ų | 132 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | cis | -143.2 | -172.1 | 29.9 | 21.4 | 7.8 | 0 | 0 | 0 | 118.2 | ||||
| 181 | I | 38.7 | Very low | 39.7 | Very low | 155 Ų | 155 | 131 Ų | 131 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | trans | 97.3 | 126.2 | 150.9 | -47.5 | -175.2 | 0 | 0 | 0 | 112.6 | ||||
| 182 | S | 33.8 | Very low | 38.7 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -172.9 | 151.2 | 16.1 | 135.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 183 | L | 37.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | 65 | 129.7 | 150.1 | -97.6 | 75 | 0 | 0 | 0 | 123.8 | ||||
| 184 | G | 33.7 | Very low | 37.2 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | 131.5 | 81 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 185 | Q | 37.4 | Very low | 36.9 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | 49.6 | 123.6 | 101.6 | -79 | -177.9 | -34.9 | 0 | 0 | 112.9 | |||||
| 186 | L | 31.5 | Very low | 37 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | -173.8 | 137.9 | 39 | -173.1 | 77.3 | 0 | 0 | 0 | 108.2 | ||||
| 187 | S | 36.4 | Very low | 36.4 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 42.9 | 145.6 | 142.9 | -56.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 188 | S | 35.9 | Very low | 36.5 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -175.9 | 144.7 | 4.1 | 168.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 189 | S | 34.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 37.4 | 123.7 | 145 | -52 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 190 | R | 30.8 | Very low | 35.8 | Very low | 247 Ų | 247 | 137.1 Ų | 137.1 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | -163.1 | 140 | 101.6 | -163.1 | 157.4 | 177.8 | 148.6 | -3.3 | 111.9 | |||||
| 191 | A | 32.2 | Very low | 34.8 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -58.2 | 148.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 192 | A | 31.7 | Very low | 35.1 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | -178.1 | 114.9 | 102.9 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 193 | R | 34.6 | Very low | 35.2 | Very low | 208 Ų | 208 | 141.2 Ų | 141.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 134.9 | 163.9 | -57.6 | -142.2 | -32 | 139.1 | 22.2 | 109 | S195 | R193-S195 PolarHBondContact NH2-OG 3.48Š| ||
| 194 | L | 31.4 | Very low | 35.6 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -139.5 | 115.4 | 143.3 | -89.5 | 171.8 | 0 | 0 | 0 | 108.1 | ||||
| 195 | S | 31.7 | Very low | 35.8 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 57% | 0.566 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 134.7 | 168 | -76.3 | 0 | 0 | 0 | 0 | 109.7 | R193 | R193-S195 PolarHBondContact NH2-OG 3.48Š| ||
| 196 | V | 35.1 | Very low | 36.2 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -150.7 | 137.1 | 139.9 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 197 | E | 34.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -56.5 | 164 | 179.3 | -160.9 | 55.5 | -167.2 | 0 | 0 | 114.9 | ||||
| 198 | P | 48.4 | Very low | 37.2 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -96.9 | 145.1 | -167 | 35.9 | -27.6 | 0 | 0 | 0 | 112.9 | ||||
| 199 | D | 30.9 | Very low | 38.2 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -175.3 | 163 | 137.1 | -136.5 | -23.7 | 0 | 0 | 0 | 112.3 | ||||
| 200 | Q | 32.3 | Very low | 39.6 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 99 | 106.3 | 164.5 | -61.1 | 168.9 | 30.8 | 0 | 0 | 118.3 | ||||
| 201 | F | 38.5 | Very low | 41.3 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | -44.3 | 151 | 152.8 | -64.3 | -90 | 0 | 0 | 0 | 112.1 | ||||
| 202 | P | 45.1 | Very low | 42.9 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -145.4 | 147.4 | 110.9 | 33 | -15.9 | 0 | 0 | 0 | 116.2 | |||||
| 203 | S | 34.3 | Very low | 44.7 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 40.7 | 122.1 | 140 | -69.4 | 0 | 0 | 0 | 0 | 122 | V205 | S203-V205 PolarHBondContact O-N 2.89Š| ||
| 204 | S | 46.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -37 | 124.4 | 149.1 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 205 | V | 38.4 | Very low | 47.2 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -125 | 110.3 | 156.3 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | S203 S207 | S203-V205 PolarHBondContact O-N 2.89Å; V205-S207 PolarHBondContact O-N 3.28Å | ||
| 206 | L | 45.6 | Very low | 48.5 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -59.5 | 113.7 | 168 | -76.3 | 152.8 | 0 | 0 | 0 | 108.5 | ||||
| 207 | S | 40.2 | Very low | 49.2 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 117.8 | 165.2 | -156.5 | 0 | 0 | 0 | 0 | 108.3 | V205 | V205-S207 PolarHBondContact O-N 3.28Š|
| 208 | S | 49.7 | Very low | 49.5 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60 | 143.3 | 173.5 | 161.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 209 | P | 56.9 | Low | 48.9 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 150.4 | 173.5 | 29.6 | -32.7 | 0 | 0 | 0 | 111.3 | ||
| 210 | P | 64 | Low | 49.1 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 154.2 | 175.3 | 28.7 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 211 | P | 64.8 | Low | 49.3 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 153.5 | -178.9 | 29.2 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 212 | P | 67.1 | Low | 49 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 151.6 | 179.2 | 30.5 | -33.9 | 0 | 0 | 0 | 112.4 | ||
| 213 | P | 68.9 | Low | 48.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 155 | 176.3 | 30.2 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 214 | P | 65.4 | Low | 49 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 143.2 | -178 | 30.2 | -33.1 | 0 | 0 | 0 | 112.7 | ||
| 215 | L | 53.1 | Low | 48.3 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 144.8 | 176.3 | -76 | 154.7 | 0 | 0 | 0 | 111.8 | ||
| 216 | P | 58.5 | Low | 48 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76 | 155.3 | 177.4 | 30.1 | -32.9 | 0 | 0 | 0 | 113.1 | ||
| 217 | P | 49.8 | Very low | 47.4 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.4 | -173.8 | 28.3 | -33.1 | 0 | 0 | 0 | 112.9 | F219 | P217-F219 HydrophobicContact CG-CE2 4.31Š|
| 218 | Q | 42.1 | Very low | 47.5 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.2 | 173.6 | -59.9 | -176.1 | -3.4 | 0 | 0 | 109.6 | ||
| 219 | F | 35.2 | Very low | 47 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 116.7 | 167.6 | -75.7 | -78.8 | 0 | 0 | 0 | 109.5 | P217 | P217-F219 HydrophobicContact CG-CE2 4.31Š|
| 220 | S | 34.9 | Very low | 45.8 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 144 | 178.2 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 221 | S | 35.7 | Very low | 44.4 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 54.4 | 113 | 150.4 | 75.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 222 | L | 33.4 | Very low | 43 | Very low | 178 Ų | 178 | 143 Ų | 143 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 134.9 | 156.3 | -69 | 168 | 0 | 0 | 0 | 110.4 | ||
| 223 | Q | 40.1 | Very low | 40.9 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 148.1 | 159 | -98.2 | -174.2 | -32.1 | 0 | 0 | 109.8 | ||
| 224 | P | 39.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 136.9 | 171.3 | 33.9 | -26.2 | 0 | 0 | 0 | 111.6 | ||
| 225 | L | 31.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -122.9 | 145.7 | 165.9 | -109 | 102.7 | 0 | 0 | 0 | 111.6 | ||||
| 226 | C | 31.1 | Very low | 36.6 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -73.3 | 161.1 | -163.5 | -66.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 227 | F | 33.5 | Very low | 35.1 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -63.8 | 162.4 | 167.2 | -62.3 | -84 | 0 | 0 | 0 | 113.8 | ||||
| 228 | P | 42.1 | Very low | 34.2 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -145.1 | 174.6 | 110.8 | 30 | -9.2 | 0 | 0 | 0 | 116.4 | |||||
| 229 | P | 39.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -113.5 | 158 | -159.5 | 40 | -28.9 | 0 | 0 | 0 | 115.1 | ||||
| 230 | V | 31.1 | Very low | 33.4 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -149.4 | 142.3 | 160.2 | -171.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 231 | Q | 34.4 | Very low | 33.4 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -62.6 | 175.7 | -173.6 | -81.4 | -101.3 | -19.9 | 0 | 0 | 119.7 | ||||
| 232 | P | 35.3 | Very low | 33.4 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -100.4 | 163.3 | -162.6 | 38.8 | -29.9 | 0 | 0 | 0 | 114.6 | ||||
| 233 | R | 24.7 | Very low | 34 | Very low | 239 Ų | 239 | 140.6 Ų | 140.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -153.8 | 106.5 | 176.5 | -166.9 | 161.8 | -175.1 | 157.5 | 3 | 109.7 | ||||
| 234 | S | 32 | Very low | 33.5 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | 81.6 | 117.8 | 96.4 | 177.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 235 | S | 32.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -156.3 | 114 | 149.4 | 52.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 236 | N | 31.2 | Very low | 33.6 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | 54.1 | 138.8 | 85.2 | -59.6 | -26 | 0 | 0 | 0 | 112.6 | |||||
| 237 | I | 28 | Very low | 33.7 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | cis | -177.4 | 157.6 | -7.8 | -103.9 | 157.8 | 0 | 0 | 0 | 102.2 | ||||
| 238 | C | 30.3 | Very low | 33.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 73.1 | 140.9 | 165.9 | -80.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 239 | D | 28.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -159.8 | 140.2 | 24.5 | -97.9 | -30.7 | 0 | 0 | 0 | 107.8 | ||||
| 240 | S | 32.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | 79.6 | 116.9 | 100.9 | -157.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 241 | D | 32.9 | Very low | 34 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | 62 | 104.8 | 143.9 | -56 | -17.8 | 0 | 0 | 0 | 121.6 | ||||
| 242 | N | 36.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -63 | 154.7 | 147.5 | -91.8 | -29.9 | 0 | 0 | 0 | 110.6 | ||||
| 243 | P | 46 | Very low | 34 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -149.3 | 162.8 | 68.6 | 35.5 | -13.5 | 0 | 0 | 0 | 118.6 | |||||
| 244 | A | 29.4 | Very low | 34.7 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -51 | 150.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 245 | T | 38.8 | Very low | 35 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | -170.8 | 141.5 | 119 | -4.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 246 | E | 34.1 | Very low | 35.7 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | 32.5 | 144.1 | 129.4 | -76.8 | 180 | 146.5 | 0 | 0 | 119.6 | |||||
| 247 | M | 34.9 | Very low | 35.9 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 64% | 0.635 | 75% | 0.752 | S | S | * | * | cis | 174.6 | 166.2 | 19.5 | 45.1 | 177.4 | 76.4 | 0 | 0 | 106.8 | ||||
| 248 | N | 35.8 | Very low | 36.8 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 86.1 | 101.2 | 150.3 | -68.4 | -35.8 | 0 | 0 | 0 | 122.4 | ||||
| 249 | K | 43.2 | Very low | 37 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -16.5 | 133.5 | 132.8 | -54.3 | 172.4 | 179 | -179.6 | 0 | 115.9 | ||||
| 250 | Q | 37.4 | Very low | 38.1 | Very low | 191 Ų | 191 | 138 Ų | 138 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -155.1 | 103.7 | 141.9 | -65.9 | -164.7 | 1.8 | 0 | 0 | 112.6 | ||||
| 251 | N | 36.1 | Very low | 38.6 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | 32.4 | 143.1 | 122.6 | -76.1 | -15.5 | 0 | 0 | 0 | 125.5 | |||||
| 252 | L | 35.5 | Very low | 39.6 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 67.2 | 155.1 | 149.7 | -86.8 | 97.8 | 0 | 0 | 0 | 117.8 | ||||
| 253 | A | 33.6 | Very low | 39.8 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | cis | -178.6 | 155.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 254 | A | 39.7 | Very low | 40.1 | Very low | 89 Ų | 89 | 142.7 Ų | 142.7 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 60.5 | 121.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 255 | N | 38 | Very low | 40.9 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | -163 | 118.7 | 124.3 | -92.2 | -26.9 | 0 | 0 | 0 | 111.5 | |||||
| 256 | K | 46.7 | Very low | 41.6 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -71 | 117.6 | 158.9 | -77.6 | 178.8 | 173.8 | 178.1 | 0 | 107.4 | ||||
| 257 | T | 36.6 | Very low | 42.5 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | -142 | 115.8 | 160 | -46 | 0 | 0 | 0 | 0 | 109.3 | Y259 | T257-Y259 HydrophobicContact CG2-CD2 3.94Å; T257-Y259 HydrophobicContact CG2-CE2 4.07Å; T257-Y259 PolarHBondContact O-N 3.07Å; T257-Y259 VanDerWaalsContact O-N 3.1Å | ||
| 258 | N | 47.1 | Very low | 43.5 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -55.5 | 109.6 | 162.8 | -69.3 | -67.8 | 0 | 0 | 0 | 108.2 | ||||
| 259 | Y | 33.9 | Very low | 44.6 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | -109.5 | 94.3 | 169.3 | -108 | -76 | 0 | 0 | 0 | 109.4 | T257 H261 | T257-Y259 HydrophobicContact CG2-CD2 3.94Å; T257-Y259 HydrophobicContact CG2-CE2 4.07Å; T257-Y259 PolarHBondContact O-N 3.07Å; T257-Y259 VanDerWaalsContact O-N 3.1Å; Y259-H261 VanDerWaalsContact C-N 3.26Å; Y259-H261 AromaticContact CD1-CD2 3.15Å; Y259-H261 WeakPolarHBondContact CD1-CD2 3.41Å; Y259-H261 AromaticContact CD1-CE1 3.54Å; Y259-H261 AromaticContact CD1-CG 3.81Å; Y259-H261 AromaticContact CD1-NE2 2.98Å; Y259-H261 WeakPolarHBondContact CD1-NE2 3.39Å; Y259-H261 AromaticContact CE1-CD2 3.8Å; Y259-H261 AromaticContact CE1-CE1 3.44Å; Y259-H261 VanDerWaalsContact CE1-CE1 3.44Å; Y259-H261 WeakPolarHBondContact CE1-CE1 3.24Å; Y259-H261 AromaticContact CE1-NE2 3.08Å; Y259-H261 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H261 AromaticContact CG-CD2 3.74Å; Y259-H261 AromaticContact CG-NE2 3.84Å; Y259-H261 PolarHBondContact O-N 2.73Å | ||
| 260 | S | 52.2 | Low | 45.6 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 95 | 148.8 | 154.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 261 | H | 43 | Very low | 47.2 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 61% | 0.606 | 74% | 0.742 | S | S | * | * | trans | -112.6 | 81.8 | 163.2 | -86.7 | -53.3 | 0 | 0 | 0 | 109.1 | Y259 S263 | Y259-H261 VanDerWaalsContact C-N 3.26Å; Y259-H261 AromaticContact CD1-CD2 3.15Å; Y259-H261 WeakPolarHBondContact CD1-CD2 3.41Å; Y259-H261 AromaticContact CD1-CE1 3.54Å; Y259-H261 AromaticContact CD1-CG 3.81Å; Y259-H261 AromaticContact CD1-NE2 2.98Å; Y259-H261 WeakPolarHBondContact CD1-NE2 3.39Å; Y259-H261 AromaticContact CE1-CD2 3.8Å; Y259-H261 AromaticContact CE1-CE1 3.44Å; Y259-H261 VanDerWaalsContact CE1-CE1 3.44Å; Y259-H261 WeakPolarHBondContact CE1-CE1 3.24Å; Y259-H261 AromaticContact CE1-NE2 3.08Å; Y259-H261 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H261 AromaticContact CG-CD2 3.74Å; Y259-H261 AromaticContact CG-NE2 3.84Å; Y259-H261 PolarHBondContact O-N 2.73Å; H261-S263 PolarHBondContact O-N 2.93Å | ||
| 262 | H | 53 | Low | 49.2 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -71.2 | 71.6 | 148.7 | -74.4 | -67.2 | 0 | 0 | 0 | 108.5 | K264 | H262-K264 PolarHBondContact O-N 3.47Š| ||
| 263 | S | 41.1 | Very low | 51.7 | Low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | trans | -82.5 | 109.8 | 163.2 | 55.5 | 0 | 0 | 0 | 0 | 107.6 | H261 S265 | H261-S263 PolarHBondContact O-N 2.93Å; S263-S265 PolarHBondContact O-N 3.41Å | ||
| 264 | K | 52 | Low | 54.4 | Low | 215 Ų | 215 | 139.9 Ų | 139.9 | 94% | 0.935 | 72% | 0.716 | S | S | * | * | trans | -60.4 | 79.6 | 169.1 | -68.9 | 176 | 178.3 | 175.4 | 0 | 109.6 | H262 | H262-K264 PolarHBondContact O-N 3.47Š| ||
| 265 | S | 46.9 | Very low | 56.7 | Low | 87 Ų | 87 | 141 Ų | 141 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | trans | -93.9 | 86.1 | 160.5 | 162.8 | 0 | 0 | 0 | 0 | 106.6 | S263 R267 | S263-S265 PolarHBondContact O-N 3.41Å; S265-R267 PolarHBondContact O-N 3.44Å | ||
| 266 | Q | 52.3 | Low | 59.1 | Low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -69.1 | 76 | 165 | -171 | 154.6 | -54.3 | 0 | 0 | 108 | ||||
| 267 | R | 53.7 | Low | 61.1 | Low | 207 Ų | 207 | 130.9 Ų | 130.9 | 78% | 0.781 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -132.3 | 114.7 | 164.7 | -76.9 | -170.9 | -173.8 | 169.9 | 3.5 | 107 | S265 | S265-R267 PolarHBondContact O-N 3.44Š|
| 268 | N | 56.4 | Low | 63.7 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | trans | 58 | 74.4 | 172.8 | -48.4 | -26.9 | 0 | 0 | 0 | 114.2 | D270 | N268-D270 PolarHBondContact O-N 3.04Å; N268-D270 VanDerWaalsContact O-N 3.12Å | ||
| 269 | K | 59 | Low | 65.7 | Low | 173 Ų | 173 | 129.5 Ų | 129.5 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -9.3 | 164.7 | -67.1 | -177.8 | -178.7 | 177.6 | 0 | 112.8 | ||
| 270 | D | 63.8 | Low | 68.3 | Low | 152 Ų | 152 | 125.2 Ų | 125.2 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -4.8 | -173.2 | -57.3 | -39.4 | 0 | 0 | 0 | 113.8 | N268 | N268-D270 PolarHBondContact O-N 3.04Å; N268-D270 VanDerWaalsContact O-N 3.12Å |
| 271 | I | 70.3 | Confident | 70 | Confident | 123 Ų | 123 | 125.9 Ų | 125.9 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -120.6 | 112.6 | 177.3 | -55.2 | 175.5 | 0 | 0 | 0 | 109.1 | N273 | I271-N273 PolarHBondContact O-N 3.25Š|
| 272 | P | 79.3 | Confident | 72 | Confident | 102 Ų | 102 | 126.7 Ų | 126.7 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | trans | -62.4 | 128.7 | 175.6 | 24.8 | -31.2 | 0 | 0 | 0 | 110.1 | M274 | P272-M274 PolarHBondContact O-N 2.94Š| ||
| 273 | N | 86.5 | Confident | 73.7 | Confident | 79 Ų | 79 | 124.9 Ų | 124.9 | 42% | 0.422 | 63% | 0.63 | S | S | . | * | trans | -71.6 | 124.8 | 175.8 | 171.6 | 15.1 | 0 | 0 | 0 | 110.1 | I271 L275 D276 V277 | I271-N273 PolarHBondContact O-N 3.25Å; N273-L275 PolarHBondContact O-N 3.49Å; N273-L275 PolarHBondContact OD1-N 3.41Å; N273-L275 VanDerWaalsContact OD1-N 3.13Å; N273-D276 WeakPolarHBondContact CB-OD2 3.2Å; N273-D276 PolarHBondContact ND2-OD2 3.11Å; N273-D276 PolarHBondContact O-N 2.98Å; N273-V277 PolarHBondContact O-N 3.32Å | ||
| 274 | M | 90.2 | Very high | 75.9 | Confident | 125 Ų | 125 | 125.5 Ų | 125.5 | 62% | 0.616 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -59.3 | -29.2 | -178.1 | -74.7 | -61.1 | -62.2 | 0 | 0 | 113.4 | P272 D276 V277 L278 | P272-M274 PolarHBondContact O-N 2.94Å; M274-D276 VanDerWaalsContact C-N 3.3Å; M274-D276 PolarHBondContact O-N 2.77Å; M274-V277 PolarHBondContact O-N 3.34Å; M274-L278 WeakPolarHBondContact O-CB 3.48Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.44Å |
| 275 | L | 89.3 | Confident | 77.7 | Confident | 113 Ų | 113 | 124.7 Ų | 124.7 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.1 | -33.6 | 175.7 | -69.3 | 172.5 | 0 | 0 | 0 | 112.4 | N273 K279 | N273-L275 PolarHBondContact O-N 3.49Å; N273-L275 PolarHBondContact OD1-N 3.41Å; N273-L275 VanDerWaalsContact OD1-N 3.13Å; L275-K279 VanDerWaalsContact O-CG 3.23Å; L275-K279 WeakPolarHBondContact O-CG 3.43Å; L275-K279 PolarHBondContact O-N 3.29Å; L275-K279 VanDerWaalsContact O-N 3.12Å |
| 276 | D | 87.5 | Confident | 79.6 | Confident | 80 Ų | 80 | 128.5 Ų | 128.5 | 43% | 0.428 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.8 | -36.8 | 179.1 | -61.4 | -35.6 | 0 | 0 | 0 | 110.5 | N273 M274 K279 D280 | N273-D276 WeakPolarHBondContact CB-OD2 3.2Å; N273-D276 PolarHBondContact ND2-OD2 3.11Å; N273-D276 PolarHBondContact O-N 2.98Å; M274-D276 VanDerWaalsContact C-N 3.3Å; M274-D276 PolarHBondContact O-N 2.77Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-D280 PolarHBondContact O-N 3.27Å |
| 277 | V | 89.9 | Confident | 81.1 | Confident | 76 Ų | 76 | 130.9 Ų | 130.9 | 46% | 0.461 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.8 | -47.5 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | N273 M274 K279 D280 M281 | N273-V277 PolarHBondContact O-N 3.32Å; M274-V277 PolarHBondContact O-N 3.34Å; V277-K279 VanDerWaalsContact C-N 3.3Å; V277-K279 PolarHBondContact O-N 2.92Å; V277-D280 PolarHBondContact O-N 2.88Å; V277-M281 PolarHBondContact O-N 2.9Å; V277-M281 VanDerWaalsContact O-N 3.07Å |
| 278 | L | 89.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 126.2 Ų | 126.2 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.3 | -31.9 | -179.9 | -70.5 | 173 | 0 | 0 | 0 | 112.6 | M274 D280 | M274-L278 WeakPolarHBondContact O-CB 3.48Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.44Å; L278-D280 VanDerWaalsContact C-N 3.34Å |
| 279 | K | 90.3 | Very high | 83.9 | Confident | 143 Ų | 143 | 124.8 Ų | 124.8 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.5 | -34.9 | 174.4 | -80.1 | 173.3 | -178.1 | -176.5 | 0 | 113.2 | L275 D276 V277 | L275-K279 VanDerWaalsContact O-CG 3.23Å; L275-K279 WeakPolarHBondContact O-CG 3.43Å; L275-K279 PolarHBondContact O-N 3.29Å; L275-K279 VanDerWaalsContact O-N 3.12Å; D276-K279 PolarHBondContact O-N 3.46Å; V277-K279 VanDerWaalsContact C-N 3.3Å; V277-K279 PolarHBondContact O-N 2.92Å |
| 280 | D | 87.3 | Confident | 85.1 | Confident | 77 Ų | 77 | 121.9 Ų | 121.9 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -95.7 | -4.7 | -174.8 | -68.3 | -19.8 | 0 | 0 | 0 | 113 | D276 V277 L278 N282 K283 V284 | D276-D280 PolarHBondContact O-N 3.27Å; V277-D280 PolarHBondContact O-N 2.88Å; L278-D280 VanDerWaalsContact C-N 3.34Å; D280-N282 VanDerWaalsContact C-N 3.27Å; D280-N282 PolarHBondContact O-N 2.93Å; D280-K283 HydrophobicContact CB-CD 4.42Å; D280-K283 WeakPolarHBondContact O-CA 3.44Å; D280-K283 WeakPolarHBondContact O-CB 3.49Å; D280-K283 PolarHBondContact O-N 3.27Å; D280-K283 WeakPolarHBondContact OD1-CD 3.29Å; D280-K283 VanDerWaalsContact OD1-CE 3.3Å; D280-K283 WeakPolarHBondContact OD1-CE 3.31Å; D280-K283 IonicContact OD1-NZ 3.05Å; D280-K283 PolarHBondContact OD1-NZ 3.22Å; D280-V284 PolarHBondContact O-N 2.98Å |
| 281 | M | 89.3 | Confident | 86.1 | Confident | 116 Ų | 116 | 122.1 Ų | 122.1 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -55.9 | -39.8 | 176.9 | -169.3 | 170.9 | 64.7 | 0 | 0 | 112.5 | V277 K283 V284 | V277-M281 PolarHBondContact O-N 2.9Å; V277-M281 VanDerWaalsContact O-N 3.07Å; M281-K283 PolarHBondContact O-N 3.42Å; M281-V284 PolarHBondContact O-N 3.36Å |
| 282 | N | 84.5 | Confident | 86.7 | Confident | 148 Ų | 148 | 118 Ų | 118 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -76 | -6.9 | 177.1 | -66.4 | -15.8 | 0 | 0 | 0 | 113.8 | D280 | D280-N282 VanDerWaalsContact C-N 3.27Å; D280-N282 PolarHBondContact O-N 2.93Å |
| 283 | K | 88.9 | Confident | 86.7 | Confident | 146 Ų | 146 | 120.2 Ų | 120.2 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -97.3 | -13.6 | 177.8 | -55.9 | 179.3 | -172.4 | 163.5 | 0 | 112.3 | D280 M281 K285 | D280-K283 HydrophobicContact CB-CD 4.42Å; D280-K283 WeakPolarHBondContact O-CA 3.44Å; D280-K283 WeakPolarHBondContact O-CB 3.49Å; D280-K283 PolarHBondContact O-N 3.27Å; D280-K283 WeakPolarHBondContact OD1-CD 3.29Å; D280-K283 VanDerWaalsContact OD1-CE 3.3Å; D280-K283 WeakPolarHBondContact OD1-CE 3.31Å; D280-K283 IonicContact OD1-NZ 3.05Å; D280-K283 PolarHBondContact OD1-NZ 3.22Å; M281-K283 PolarHBondContact O-N 3.42Å; K283-K285 PolarHBondContact O-N 2.89Å |
| 284 | V | 87.1 | Confident | 86.5 | Confident | 104 Ų | 104 | 119.3 Ų | 119.3 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | trans | -70.3 | 112.5 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | D280 M281 | D280-V284 PolarHBondContact O-N 2.98Å; M281-V284 PolarHBondContact O-N 3.36Å | ||
| 285 | K | 89.6 | Confident | 86.1 | Confident | 197 Ų | 197 | 115 Ų | 115 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | trans | -111.8 | 122.9 | 171.4 | -67.5 | -174.8 | 178.2 | -177.7 | 0 | 109.3 | K283 | K283-K285 PolarHBondContact O-N 2.89Š| ||
| 286 | L | 86.1 | Confident | 85.8 | Confident | 167 Ų | 167 | 118.2 Ų | 118.2 | 87% | 0.874 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.8 | 173 | -60.8 | -179.2 | 0 | 0 | 0 | 109.7 | ||
| 287 | R | 85.3 | Confident | 85.5 | Confident | 209 Ų | 209 | 118.1 Ų | 118.1 | 79% | 0.789 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 130 | 171.2 | 59.3 | -169 | -72.2 | -176.6 | -1.7 | 109.4 | I289 | R287-I289 HydrophobicContact CG-CD1 4.28Å; R287-I289 HydrophobicContact CG-CG1 4.02Å; R287-I289 PolarHBondContact O-N 3.48Å |
| 288 | A | 83.5 | Confident | 84.8 | Confident | 110 Ų | 110 | 117.5 Ų | 117.5 | 91% | 0.909 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 119 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 289 | I | 83.7 | Confident | 84 | Confident | 86 Ų | 86 | 120.4 Ų | 120.4 | 44% | 0.441 | 62% | 0.622 | S | S | . | * | trans | -105.9 | 129.4 | 175 | -57.2 | 173.9 | 0 | 0 | 0 | 106.7 | R287 R291 P297 | R287-I289 HydrophobicContact CG-CD1 4.28Å; R287-I289 HydrophobicContact CG-CG1 4.02Å; R287-I289 PolarHBondContact O-N 3.48Å; I289-R291 VanDerWaalsContact O-CG 3.24Å; I289-R291 WeakPolarHBondContact O-CG 3.4Å; I289-R291 PolarHBondContact O-N 3.36Å; I289-P297 HydrophobicContact CG2-CB 3.93Å | ||
| 290 | E | 84.9 | Confident | 83 | Confident | 112 Ų | 112 | 120 Ų | 120 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | trans | -58.1 | 129.3 | 174.6 | -160.5 | -176.8 | 140.8 | 0 | 0 | 109.2 | I298 K300 | E290-I298 HydrophobicContact CG-CD1 4.08Å; E290-I298 WeakPolarHBondContact O-CB 3.41Å; E290-I298 PolarHBondContact O-N 3.3Å; E290-K300 VanDerWaalsContact CD-NZ 3.27Å; E290-K300 IonicContact OE1-NZ 2.69Å; E290-K300 PolarHBondContact OE1-NZ 2.99Å; E290-K300 WeakPolarHBondContact OE2-CE 3.42Å; E290-K300 IonicContact OE2-NZ 2.69Å; E290-K300 PolarHBondContact OE2-NZ 3.4Å | ||
| 291 | R | 85.9 | Confident | 81.8 | Confident | 158 Ų | 158 | 127 Ų | 127 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | B | Isolated β-bridge | trans | -120.1 | 146.6 | -177.8 | -48.6 | -178.7 | 89.1 | 142.5 | -3.1 | 108.9 | I289 G295 R296 | I289-R291 VanDerWaalsContact O-CG 3.24Å; I289-R291 WeakPolarHBondContact O-CG 3.4Å; I289-R291 PolarHBondContact O-N 3.36Å; R291-G295 VanDerWaalsContact CZ-O 3.3Å; R291-G295 PolarHBondContact NE-O 2.8Å; R291-G295 PolarHBondContact NH2-O 3.45Å; R291-R296 VanDerWaalsContact CA-O 3.26Å; R291-R296 WeakPolarHBondContact CA-O 3.47Å |
| 292 | S | 81.4 | Confident | 80.6 | Confident | 37 Ų | 37 | 130.7 Ų | 130.7 | 26% | 0.259 | 65% | 0.654 | S | S | . | * | trans | -69 | 165.5 | 170.3 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | G294 G295 R296 | S292-G294 PolarHBondContact O-N 3.26Å; S292-G295 PolarHBondContact O-N 3.11Å; S292-R296 PolarHBondContact N-O 3.1Å | ||
| 293 | P | 80.9 | Confident | 79.7 | Confident | 147 Ų | 147 | 133.6 Ų | 133.6 | 96% | 0.955 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -22.7 | 177.5 | -29.2 | 36.3 | 0 | 0 | 0 | 114.8 | ||
| 294 | G | 81 | Confident | 78.5 | Confident | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 18.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S292 R296 | S292-G294 PolarHBondContact O-N 3.26Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 2.87Å |
| 295 | G | 82.9 | Confident | 77.3 | Confident | 35 Ų | 35 | 134.7 Ų | 134.7 | 36% | 0.361 | 66% | 0.657 | S | S | . | * | S | Bend | trans | 74.9 | 5.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R291 S292 | R291-G295 VanDerWaalsContact CZ-O 3.3Å; R291-G295 PolarHBondContact NE-O 2.8Å; R291-G295 PolarHBondContact NH2-O 3.45Å; S292-G295 PolarHBondContact O-N 3.11Å |
| 296 | R | 82.4 | Confident | 76.4 | Confident | 181 Ų | 181 | 128.8 Ų | 128.8 | 68% | 0.683 | 64% | 0.641 | S | S | * | * | trans | -81.1 | 129.5 | 176.3 | -68 | -163.1 | -67.7 | -87.9 | 4.9 | 110.8 | R291 S292 G294 I298 | R291-R296 VanDerWaalsContact CA-O 3.26Å; R291-R296 WeakPolarHBondContact CA-O 3.47Å; S292-R296 PolarHBondContact N-O 3.1Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 2.87Å; R296-I298 PolarHBondContact O-N 3.28Å | ||
| 297 | P | 80.3 | Confident | 75.8 | Confident | 77 Ų | 77 | 128 Ų | 128 | 50% | 0.5 | 63% | 0.632 | S | S | . | * | B | Isolated β-bridge | trans | -55.8 | 125.1 | 173 | -24.5 | 34.5 | 0 | 0 | 0 | 111.2 | I289 H299 | I289-P297 HydrophobicContact CG2-CB 3.93Å; P297-H299 PolarHBondContact O-N 3.44Å |
| 298 | I | 75.1 | Confident | 75.8 | Confident | 63 Ų | 63 | 128.8 Ų | 128.8 | 32% | 0.323 | 64% | 0.635 | S | S | . | * | trans | -80.2 | 109.3 | 178.6 | -63.3 | 171 | 0 | 0 | 0 | 108 | E290 R296 K300 | E290-I298 HydrophobicContact CG-CD1 4.08Å; E290-I298 WeakPolarHBondContact O-CB 3.41Å; E290-I298 PolarHBondContact O-N 3.3Å; R296-I298 PolarHBondContact O-N 3.28Å; I298-K300 HydrophobicContact CG2-CG 4.22Å; I298-K300 PolarHBondContact O-N 2.97Å | ||
| 299 | H | 74.6 | Confident | 76 | Confident | 156 Ų | 156 | 125.6 Ų | 125.6 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | trans | -80.7 | 105.3 | 171.6 | -161.7 | -68.3 | 0 | 0 | 0 | 109.2 | P297 R301 | P297-H299 PolarHBondContact O-N 3.44Å; H299-R301 PolarHBondContact ND1-O 2.96Å; H299-R301 PolarHBondContact O-N 3.47Å | ||
| 300 | K | 68.3 | Low | 76.2 | Confident | 133 Ų | 133 | 125.6 Ų | 125.6 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | trans | -74.1 | 121.2 | 174.4 | -59.8 | -147.3 | 176.7 | -177.9 | 0 | 109 | E290 I298 | E290-K300 VanDerWaalsContact CD-NZ 3.27Å; E290-K300 IonicContact OE1-NZ 2.69Å; E290-K300 PolarHBondContact OE1-NZ 2.99Å; E290-K300 WeakPolarHBondContact OE2-CE 3.42Å; E290-K300 IonicContact OE2-NZ 2.69Å; E290-K300 PolarHBondContact OE2-NZ 3.4Å; I298-K300 HydrophobicContact CG2-CG 4.22Å; I298-K300 PolarHBondContact O-N 2.97Å | ||
| 301 | R | 62.3 | Low | 76.5 | Confident | 225 Ų | 225 | 125 Ų | 125 | 85% | 0.849 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 82.7 | 117.7 | 177.9 | -54.1 | -176.4 | 179.5 | 179.7 | -0.4 | 115.2 | H299 | H299-R301 PolarHBondContact ND1-O 2.96Å; H299-R301 PolarHBondContact O-N 3.47Å |
| 302 | K | 63.8 | Low | 76.6 | Confident | 193 Ų | 193 | 118.1 Ų | 118.1 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | trans | -56 | 130.4 | 155.8 | -84.5 | 179.7 | 173.1 | 178.4 | 0 | 107.3 | Q304 | K302-Q304 PolarHBondContact O-N 2.93Š| ||
| 303 | R | 65 | Low | 77.1 | Confident | 209 Ų | 209 | 121.5 Ų | 121.5 | 79% | 0.789 | 60% | 0.603 | S | S | * | * | trans | -57.5 | 138.1 | 163.3 | -73.5 | -177.3 | 176.2 | -172.8 | -1.5 | 107.3 | N305 | R303-N305 VanDerWaalsContact C-N 3.28Å; R303-N305 WeakPolarHBondContact CB-OD1 3.06Å; R303-N305 PolarHBondContact O-N 3.39Å; R303-N305 PolarHBondContact O-OD1 3.43Å | ||
| 304 | Q | 63.8 | Low | 77.6 | Confident | 193 Ų | 193 | 119.2 Ų | 119.2 | 90% | 0.902 | 58% | 0.582 | S | S | * | * | trans | -67.7 | 97.7 | 171.1 | -165.7 | 74.4 | 14.7 | 0 | 0 | 105.7 | K302 | K302-Q304 PolarHBondContact O-N 2.93Š| ||
| 305 | N | 62.3 | Low | 78.1 | Confident | 81 Ų | 81 | 119.1 Ų | 119.1 | 43% | 0.433 | 57% | 0.572 | S | S | . | * | trans | -81.3 | 136.5 | -174.3 | -58.9 | -22.9 | 0 | 0 | 0 | 110.1 | R303 S312 | R303-N305 VanDerWaalsContact C-N 3.28Å; R303-N305 WeakPolarHBondContact CB-OD1 3.06Å; R303-N305 PolarHBondContact O-N 3.39Å; R303-N305 PolarHBondContact O-OD1 3.43Å; N305-S312 WeakPolarHBondContact CB-OG 3.18Å; N305-S312 PolarHBondContact ND2-OG 3.36Å | ||
| 306 | S | 70.9 | Confident | 78.4 | Confident | 73 Ų | 73 | 123.3 Ų | 123.3 | 51% | 0.51 | 58% | 0.582 | S | S | . | * | trans | -68.2 | 144.3 | 173.2 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | W308 D309 | S306-W308 PolarHBondContact O-N 3.3Å; S306-D309 WeakPolarHBondContact O-CB 3.26Å; S306-D309 PolarHBondContact O-N 3.2Å; S306-D309 PolarHBondContact OG-N 3.27Å | ||
| 307 | H | 74.6 | Confident | 78.9 | Confident | 150 Ų | 150 | 117.4 Ų | 117.4 | 69% | 0.694 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -20 | 178.2 | 179.8 | 60.9 | 0 | 0 | 0 | 113.3 | ||
| 308 | W | 83.3 | Confident | 79.4 | Confident | 225 Ų | 225 | 117.7 Ų | 117.7 | 85% | 0.852 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 0.1 | 179.5 | -62.3 | 106.9 | 0 | 0 | 0 | 114.5 | S306 | S306-W308 PolarHBondContact O-N 3.3Š|
| 309 | D | 89.6 | Confident | 80.1 | Confident | 43 Ų | 43 | 121.3 Ų | 121.3 | 23% | 0.23 | 58% | 0.582 | C | S | . | * | trans | -71.3 | 122.8 | 174 | 165.7 | 34.8 | 0 | 0 | 0 | 109.7 | S306 V311 S312 L313 | S306-D309 WeakPolarHBondContact O-CB 3.26Å; S306-D309 PolarHBondContact O-N 3.2Å; S306-D309 PolarHBondContact OG-N 3.27Å; D309-V311 PolarHBondContact O-N 2.93Å; D309-V311 PolarHBondContact OD1-N 2.92Å; D309-S312 WeakPolarHBondContact O-CA 3.31Å; D309-S312 WeakPolarHBondContact O-CB 3.43Å; D309-S312 PolarHBondContact O-N 3.31Å; D309-S312 PolarHBondContact OD2-N 3.28Å; D309-S312 PolarHBondContact OD2-OG 2.97Å; D309-L313 PolarHBondContact O-N 3.4Å | ||
| 310 | P | 87.9 | Confident | 80.8 | Confident | 87 Ų | 87 | 119.8 Ų | 119.8 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.6 | -35 | -178.5 | 22.7 | -34.8 | 0 | 0 | 0 | 112.6 | S312 L313 I314 | P310-S312 PolarHBondContact O-N 2.94Å; P310-L313 PolarHBondContact O-N 3.46Å; P310-I314 WeakPolarHBondContact O-CB 3.39Å; P310-I314 WeakPolarHBondContact O-CD1 3.41Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.02Å |
| 311 | V | 89.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.606 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -36.5 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | D309 S315 | D309-V311 PolarHBondContact O-N 2.93Å; D309-V311 PolarHBondContact OD1-N 2.92Å; V311-S315 VanDerWaalsContact O-CB 3.27Å; V311-S315 WeakPolarHBondContact O-CB 3.34Å; V311-S315 PolarHBondContact O-N 3.14Å; V311-S315 PolarHBondContact O-OG 3.06Å |
| 312 | S | 89.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 112.7 Ų | 112.7 | 9% | 0.091 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -75.9 | -39.7 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | N305 D309 P310 S315 H316 | N305-S312 WeakPolarHBondContact CB-OG 3.18Å; N305-S312 PolarHBondContact ND2-OG 3.36Å; D309-S312 WeakPolarHBondContact O-CA 3.31Å; D309-S312 WeakPolarHBondContact O-CB 3.43Å; D309-S312 PolarHBondContact O-N 3.31Å; D309-S312 PolarHBondContact OD2-N 3.28Å; D309-S312 PolarHBondContact OD2-OG 2.97Å; P310-S312 PolarHBondContact O-N 2.94Å; S312-S315 WeakPolarHBondContact CA-OG 3.28Å; S312-S315 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact O-OG 3.09Å; S312-H316 WeakPolarHBondContact O-CB 3.26Å; S312-H316 PolarHBondContact O-N 3.4Å |
| 313 | L | 91.9 | Very high | 83.2 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.8 | -48.2 | 171.7 | -163.5 | 81.5 | 0 | 0 | 0 | 111.1 | D309 P310 H316 A317 | D309-L313 PolarHBondContact O-N 3.4Å; P310-L313 PolarHBondContact O-N 3.46Å; L313-H316 PolarHBondContact O-N 3.06Å; L313-A317 WeakPolarHBondContact O-CB 3.2Å; L313-A317 PolarHBondContact O-N 3.22Å |
| 314 | I | 91.1 | Very high | 83.1 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 177.2 | -66.9 | 164.9 | 0 | 0 | 0 | 110.2 | P310 H316 A317 L318 | P310-I314 WeakPolarHBondContact O-CB 3.39Å; P310-I314 WeakPolarHBondContact O-CD1 3.41Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.02Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.92Å; I314-A317 PolarHBondContact O-N 3.49Å; I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.2Å; I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.27Å; I314-L318 PolarHBondContact O-N 3.32Å |
| 315 | S | 91 | Very high | 82.9 | Confident | 58 Ų | 58 | 101.2 Ų | 101.2 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 179.4 | 75.7 | 0 | 0 | 0 | 0 | 112.6 | V311 S312 K319 | V311-S315 VanDerWaalsContact O-CB 3.27Å; V311-S315 WeakPolarHBondContact O-CB 3.34Å; V311-S315 PolarHBondContact O-N 3.14Å; V311-S315 PolarHBondContact O-OG 3.06Å; S312-S315 WeakPolarHBondContact CA-OG 3.28Å; S312-S315 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact O-OG 3.09Å; S315-K319 VanDerWaalsContact O-CB 3.23Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.44Å |
| 316 | H | 89.8 | Confident | 82.6 | Confident | 123 Ų | 123 | 104 Ų | 104 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.8 | -44.1 | 177.6 | -170.6 | -81 | 0 | 0 | 0 | 110.9 | S312 L313 I314 K319 Q320 | S312-H316 WeakPolarHBondContact O-CB 3.26Å; S312-H316 PolarHBondContact O-N 3.4Å; L313-H316 PolarHBondContact O-N 3.06Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.92Å; H316-K319 PolarHBondContact O-N 3.29Å; H316-Q320 VanDerWaalsContact O-CB 3.29Å; H316-Q320 WeakPolarHBondContact O-CB 3.42Å; H316-Q320 PolarHBondContact O-N 3.48Å |
| 317 | A | 92.7 | Very high | 81.6 | Confident | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L313 I314 Q320 K321 | L313-A317 WeakPolarHBondContact O-CB 3.2Å; L313-A317 PolarHBondContact O-N 3.22Å; I314-A317 PolarHBondContact O-N 3.49Å; A317-Q320 PolarHBondContact O-N 2.97Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.88Å |
| 318 | L | 91.9 | Very high | 80.6 | Confident | 84 Ų | 84 | 107.1 Ų | 107.1 | 44% | 0.44 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 174.9 | -68.6 | 173.6 | 0 | 0 | 0 | 111.1 | I314 Q320 K321 F322 | I314-L318 HydrophobicContact CG2-CD1 3.76Å; I314-L318 HydrophobicContact CG2-CG 4.2Å; I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 VanDerWaalsContact O-CG 3.25Å; I314-L318 WeakPolarHBondContact O-CG 3.27Å; I314-L318 PolarHBondContact O-N 3.32Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.42Å; L318-K321 PolarHBondContact O-N 2.99Å; L318-F322 HydrophobicContact CB-CD2 4.47Å; L318-F322 HydrophobicContact CD2-CE2 4.03Å; L318-F322 WeakPolarHBondContact O-CD2 3.22Å; L318-F322 PolarHBondContact O-N 3.46Å |
| 319 | K | 88.4 | Confident | 78.9 | Confident | 139 Ų | 139 | 99.5 Ų | 99.5 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 176.8 | -172.6 | -175.7 | 178 | -165.1 | 0 | 111.2 | S315 H316 F322 A323 | S315-K319 VanDerWaalsContact O-CB 3.23Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.44Å; H316-K319 PolarHBondContact O-N 3.29Å; K319-F322 CarbonylContact O-C 3.58Å; K319-F322 PolarHBondContact O-N 2.94Å; K319-A323 WeakPolarHBondContact O-CB 3.48Å; K319-A323 PolarHBondContact O-N 2.81Å |
| 320 | Q | 89.1 | Confident | 77.1 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -40.4 | 178.3 | -174.4 | 177.2 | -13.4 | 0 | 0 | 112.1 | H316 A317 L318 F322 A323 | H316-Q320 VanDerWaalsContact O-CB 3.29Å; H316-Q320 WeakPolarHBondContact O-CB 3.42Å; H316-Q320 PolarHBondContact O-N 3.48Å; A317-Q320 PolarHBondContact O-N 2.97Å; L318-Q320 VanDerWaalsContact C-N 3.31Å; L318-Q320 PolarHBondContact O-N 3.42Å; Q320-F322 VanDerWaalsContact C-N 3.27Å; Q320-F322 PolarHBondContact O-N 3.44Å; Q320-A323 PolarHBondContact O-N 3.4Å |
| 321 | K | 91.6 | Very high | 75.2 | Confident | 125 Ų | 125 | 111 Ų | 111 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -38.1 | 176.5 | -176.4 | -172 | 172.2 | -166.2 | 0 | 112 | A317 L318 | A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.88Å; L318-K321 PolarHBondContact O-N 2.99Å |
| 322 | F | 82.7 | Confident | 73.3 | Confident | 83 Ų | 83 | 114.2 Ų | 114.2 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -102.7 | 4.5 | -175.5 | -59.3 | -62.3 | 0 | 0 | 0 | 113.9 | L318 K319 Q320 F324 Q325 | L318-F322 HydrophobicContact CB-CD2 4.47Å; L318-F322 HydrophobicContact CD2-CE2 4.03Å; L318-F322 WeakPolarHBondContact O-CD2 3.22Å; L318-F322 PolarHBondContact O-N 3.46Å; K319-F322 CarbonylContact O-C 3.58Å; K319-F322 PolarHBondContact O-N 2.94Å; Q320-F322 VanDerWaalsContact C-N 3.27Å; Q320-F322 PolarHBondContact O-N 3.44Å; F322-F324 PolarHBondContact O-N 3.13Å; F322-Q325 HydrophobicContact CB-CB 4.42Å; F322-Q325 WeakPolarHBondContact O-CA 3.26Å; F322-Q325 WeakPolarHBondContact O-CB 3.34Å; F322-Q325 PolarHBondContact O-N 3.35Å |
| 323 | A | 71.9 | Confident | 71.5 | Confident | 44 Ų | 44 | 121.8 Ų | 121.8 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -63.3 | -29.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K319 Q320 Q325 | K319-A323 WeakPolarHBondContact O-CB 3.48Å; K319-A323 PolarHBondContact O-N 2.81Å; Q320-A323 PolarHBondContact O-N 3.4Å; A323-Q325 PolarHBondContact O-N 2.82Å |
| 324 | F | 63 | Low | 69.6 | Low | 193 Ų | 193 | 124.1 Ų | 124.1 | 85% | 0.846 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -75.8 | 1.1 | 172.2 | -60.5 | -76.9 | 0 | 0 | 0 | 113.6 | F322 | F322-F324 PolarHBondContact O-N 3.13Š|
| 325 | Q | 58.4 | Low | 67.7 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 55% | 0.551 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -101.2 | -3.1 | 179.5 | -153.2 | 168.7 | 13.2 | 0 | 0 | 112.3 | F322 A323 D327 D328 | F322-Q325 HydrophobicContact CB-CB 4.42Å; F322-Q325 WeakPolarHBondContact O-CA 3.26Å; F322-Q325 WeakPolarHBondContact O-CB 3.34Å; F322-Q325 PolarHBondContact O-N 3.35Å; A323-Q325 PolarHBondContact O-N 2.82Å; Q325-D327 VanDerWaalsContact C-N 3.29Å; Q325-D327 PolarHBondContact O-N 3.08Å; Q325-D328 PolarHBondContact O-N 3.49Å |
| 326 | E | 55.6 | Low | 65.5 | Low | 138 Ų | 138 | 131.1 Ų | 131.1 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -14.9 | -179 | -66.1 | -179.5 | -177.6 | 0 | 0 | 113.4 | D328 | E326-D328 VanDerWaalsContact C-N 3.29Å; E326-D328 PolarHBondContact O-N 2.97Å |
| 327 | D | 50.9 | Low | 63.7 | Low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -13.3 | 174.1 | -79.9 | -29.4 | 0 | 0 | 0 | 113.5 | Q325 S329 | Q325-D327 VanDerWaalsContact C-N 3.29Å; Q325-D327 PolarHBondContact O-N 3.08Å; D327-S329 PolarHBondContact O-N 3.39Å |
| 328 | D | 54.2 | Low | 61.2 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -80.4 | 66.9 | 161.1 | -99 | -18.4 | 0 | 0 | 0 | 108.9 | Q325 E326 F330 | Q325-D328 PolarHBondContact O-N 3.49Å; E326-D328 VanDerWaalsContact C-N 3.29Å; E326-D328 PolarHBondContact O-N 2.97Å; D328-F330 PolarHBondContact O-N 2.96Å |
| 329 | S | 46.9 | Very low | 58.9 | Low | 65 Ų | 65 | 145 Ų | 145 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | trans | -54.4 | 102.2 | 168.3 | 158.7 | 0 | 0 | 0 | 0 | 109.3 | D327 E331 K332 | D327-S329 PolarHBondContact O-N 3.39Å; S329-E331 PolarHBondContact O-N 2.93Å; S329-E331 PolarHBondContact OG-N 3.35Å; S329-K332 PolarHBondContact O-N 3.47Å | ||
| 330 | F | 51.2 | Low | 57.1 | Low | 203 Ų | 203 | 142.6 Ų | 142.6 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -2.3 | 168.1 | -82.1 | -89.3 | 0 | 0 | 0 | 114.1 | D328 | D328-F330 PolarHBondContact O-N 2.96Š|
| 331 | E | 49.2 | Very low | 55.5 | Low | 169 Ų | 169 | 142.7 Ų | 142.7 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -7.1 | 174 | -159.5 | 160.4 | -166.3 | 0 | 0 | 113.6 | S329 | S329-E331 PolarHBondContact O-N 2.93Å; S329-E331 PolarHBondContact OG-N 3.35Å |
| 332 | K | 48 | Very low | 53.3 | Low | 168 Ų | 168 | 146 Ų | 146 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -90.5 | -1.6 | -176.7 | -153.6 | 170.3 | 178.2 | -174.6 | 0 | 114.9 | S329 N334 | S329-K332 PolarHBondContact O-N 3.47Å; K332-N334 PolarHBondContact O-N 3.08Å |
| 333 | E | 52.8 | Low | 51.4 | Low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -72.4 | -15.7 | 172.4 | -165.8 | 174.1 | -178.1 | 0 | 0 | 112.4 | R335 | E333-R335 PolarHBondContact O-N 3.11Š|
| 334 | N | 52.2 | Low | 50.2 | Low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -88.9 | 8.5 | -179.9 | -104.9 | -7.4 | 0 | 0 | 0 | 115 | K332 | K332-N334 PolarHBondContact O-N 3.08Š|
| 335 | R | 50.7 | Low | 49.3 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -134.3 | 43.5 | 178.6 | -67.6 | -162.7 | -157 | -112.2 | 4.4 | 114.8 | E333 | E333-R335 PolarHBondContact O-N 3.11Š|
| 336 | S | 44 | Very low | 48.5 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 54% | 0.538 | 77% | 0.766 | S | S | . | * | trans | -141.6 | 92 | 166 | 51 | 0 | 0 | 0 | 0 | 110.6 | E338 | S336-E338 PolarHBondContact O-N 2.98Š| ||
| 337 | W | 51.6 | Low | 47.9 | Very low | 263 Ų | 263 | 148.8 Ų | 148.8 | 100% | 0.996 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 49.9 | 155.6 | -74.4 | 81.8 | 0 | 0 | 0 | 110 | S339 | W337-S339 PolarHBondContact O-N 2.94Š| ||
| 338 | E | 41.7 | Very low | 47.7 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -86.6 | 111.2 | 173.3 | -166.2 | 127.7 | -153.9 | 0 | 0 | 107 | S336 S340 | S336-E338 PolarHBondContact O-N 2.98Å; E338-S340 PolarHBondContact O-N 3.36Å | ||
| 339 | S | 43.3 | Very low | 47.3 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -55.5 | 121 | -175.3 | -65 | 0 | 0 | 0 | 0 | 110.2 | W337 | W337-S339 PolarHBondContact O-N 2.94Š| ||
| 340 | S | 50.7 | Low | 47.1 | Very low | 89 Ų | 89 | 157 Ų | 157 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | trans | -61.6 | 137.9 | 177.4 | -148.5 | 0 | 0 | 0 | 0 | 110.4 | E338 F342 | E338-S340 PolarHBondContact O-N 3.36Å; S340-F342 PolarHBondContact O-N 3.49Å; S340-F342 VanDerWaalsContact O-N 3.15Å | ||
| 341 | P | 55.3 | Low | 46.7 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -75.8 | 0.2 | -177.6 | 31.9 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 342 | F | 46.2 | Very low | 46.5 | Very low | 193 Ų | 193 | 151 Ų | 151 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 69 | 172.3 | -91.3 | -88.3 | 0 | 0 | 0 | 109.5 | S340 | S340-F342 PolarHBondContact O-N 3.49Å; S340-F342 VanDerWaalsContact O-N 3.15Å | ||
| 343 | S | 41.7 | Very low | 46.2 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -89.4 | 122.9 | 160.6 | -158.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 344 | S | 46.5 | Very low | 45.7 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -61.3 | 151.5 | 171.1 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | E346 | S344-E346 PolarHBondContact O-N 3.01Š| ||
| 345 | P | 45.3 | Very low | 45 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -68.6 | 107.1 | -179.3 | 28.3 | -31.3 | 0 | 0 | 0 | 108.9 | ||||
| 346 | E | 40.3 | Very low | 44.6 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 129.1 | 176.4 | -138.9 | 158.6 | -176.5 | 0 | 0 | 109 | S344 S348 | S344-E346 PolarHBondContact O-N 3.01Å; E346-S348 PolarHBondContact O-N 3.25Å | ||
| 347 | T | 44 | Very low | 44.3 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -63.7 | 124.3 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | R349 | T347-R349 PolarHBondContact O-N 3.43Å; T347-R349 VanDerWaalsContact O-N 3.16Å | ||
| 348 | S | 46.8 | Very low | 43.5 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -42.3 | 113.4 | 165.8 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | E346 | E346-S348 PolarHBondContact O-N 3.25Š| ||
| 349 | R | 44.3 | Very low | 43.1 | Very low | 219 Ų | 219 | 140.1 Ų | 140.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -145.5 | 110.6 | 150.6 | -75.4 | -162.4 | -174.6 | -139.3 | -0.4 | 110.7 | T347 | T347-R349 PolarHBondContact O-N 3.43Å; T347-R349 VanDerWaalsContact O-N 3.16Å | ||
| 350 | F | 42.9 | Very low | 42.7 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | 58.5 | 119 | 143.6 | -68.9 | -83.9 | 0 | 0 | 0 | 119.9 | ||||
| 351 | G | 44.4 | Very low | 41.9 | Very low | 64 Ų | 64 | 150.5 Ų | 150.5 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | trans | -64 | 156.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 352 | H | 43.3 | Very low | 40.8 | Very low | 183 Ų | 183 | 150 Ų | 150 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 109.2 | 148.3 | -76.2 | -73.1 | 0 | 0 | 0 | 108.5 | ||||
| 353 | H | 42.6 | Very low | 40.3 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 135.2 | 159.6 | -73.5 | -96.9 | 0 | 0 | 0 | 108.9 | ||||
| 354 | I | 41.7 | Very low | 39.9 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -157.4 | 85.9 | 150.1 | -81.2 | 123.5 | 0 | 0 | 0 | 104.4 | ||||
| 355 | S | 37.7 | Very low | 39.1 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | 66.7 | 107.9 | 102 | 69.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 356 | Q | 42 | Very low | 38.6 | Very low | 191 Ų | 191 | 156.5 Ų | 156.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -53.3 | 145.4 | 160.8 | -63.3 | 176.2 | -8.5 | 0 | 0 | 110.6 | ||||
| 357 | S | 37.5 | Very low | 38.3 | Very low | 123 Ų | 123 | 154 Ų | 154 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -136.3 | 105.1 | 155.9 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 358 | E | 35.6 | Very low | 37.7 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 143.4 | 151.4 | -78.5 | -179.2 | 128.9 | 0 | 0 | 108.5 | ||||
| 359 | G | 33.9 | Very low | 37.3 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 157 | 115.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 360 | Q | 34.5 | Very low | 37 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | 83 | 110.6 | 146.3 | -56.1 | -177.2 | -15.8 | 0 | 0 | 117.9 | ||||
| 361 | R | 34.3 | Very low | 36.7 | Very low | 228 Ų | 228 | 146.9 Ų | 146.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 70.3 | 130.8 | 69.8 | -98.7 | -166.6 | -168.4 | 173.7 | 5.9 | 115.7 | |||||
| 362 | T | 32 | Very low | 36.5 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 72.8 | 140.7 | 155.4 | 56.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 363 | K | 35.2 | Very low | 36.2 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -173.3 | 155.5 | 4.7 | -112.9 | 170.7 | 177.4 | -151.7 | 0 | 108.5 | ||||
| 364 | E | 32.3 | Very low | 36.2 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 57.3 | 118.9 | 139.7 | -68.6 | 160.1 | -163.6 | 0 | 0 | 121.7 | ||||
| 365 | E | 31.5 | Very low | 35.9 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | -165.7 | 98.1 | 120.4 | -146.7 | 172.6 | 160.6 | 0 | 0 | 108.7 | |||||
| 366 | M | 33.6 | Very low | 36.1 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | 33.2 | 121.8 | 104.1 | -75 | 169.8 | 71.4 | 0 | 0 | 113.7 | |||||
| 367 | V | 35.1 | Very low | 36 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | -171.7 | 110.4 | 83.6 | 158.3 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 368 | N | 31.3 | Very low | 36 | Very low | 121 Ų | 121 | 141 Ų | 141 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | 77.6 | 112.7 | 93.7 | -152.4 | 1.9 | 0 | 0 | 0 | 113.8 | |||||
| 369 | T | 38.1 | Very low | 36.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | -167.9 | 114.2 | 109.3 | 41.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 370 | K | 36.5 | Very low | 36.3 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 60.8 | 113 | 123.9 | -58 | 177.3 | -175.6 | -177.9 | 0 | 117.8 | |||||
| 371 | A | 37.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 99.8 | 136.7 | 107.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 372 | V | 40.5 | Very low | 37 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | cis | -164.8 | 119 | 16.2 | 122.5 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 373 | D | 36.1 | Very low | 37.3 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 70.7 | 143.1 | 105.2 | -159.6 | 30.5 | 0 | 0 | 0 | 115.4 | |||||
| 374 | Q | 42 | Very low | 37.5 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 80.4 | 120.3 | 174.9 | -63.1 | 158.7 | 37.3 | 0 | 0 | 116.2 | ||||
| 375 | G | 36 | Very low | 38 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | cis | 173.7 | 152.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 376 | I | 42.9 | Very low | 38.7 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | 59.8 | 93.6 | 132.4 | -55.8 | 172.7 | 0 | 0 | 0 | 113.6 | ||||
| 377 | S | 39.4 | Very low | 38.9 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | 67.3 | 137.8 | 99.7 | 93.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 378 | N | 36.3 | Very low | 39.1 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | -172.9 | 165.8 | 13.4 | -101.7 | -28 | 0 | 0 | 0 | 103.8 | ||||
| 379 | T | 38.7 | Very low | 39.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 33.5 | 131.6 | 141.4 | 65.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 380 | S | 38.8 | Very low | 39.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | cis | 162.4 | 147.6 | 27.6 | 41.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 381 | L | 40.4 | Very low | 39.8 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 58.7 | 140.2 | 138.2 | -77.2 | 165.3 | 0 | 0 | 0 | 121.7 | ||||
| 382 | L | 41.6 | Very low | 40 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | trans | 97.3 | 106.5 | 148.1 | -69.1 | 149.5 | 0 | 0 | 0 | 119.2 | ||||
| 383 | N | 38.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | 70.5 | 112.6 | 121.1 | -71.9 | -1 | 0 | 0 | 0 | 121.6 | |||||
| 384 | S | 39.8 | Very low | 40.2 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 69.8 | 131.8 | 110.3 | -132.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 385 | R | 42.3 | Very low | 40.1 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | trans | 71.8 | 117 | 159 | -67.5 | -179.7 | -177.2 | -173.7 | -0.4 | 117.2 | ||||
| 386 | I | 46 | Very low | 40.5 | Very low | 244 Ų | 244 | 146 Ų | 146 | 100% | 1.251 | 79% | 0.788 | S | S | * | * | -137.4 | 0 | 86.1 | -81.9 | 159.8 | 0 | 0 | 0 | 108.1 |
Retrieved 386 of 386 residues in 1199 ms
(Link to these results)