| 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 | 64 | Low | 75.4 | Confident | 95 Ų | 95 | 89 Ų | 89 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | 0 | 129.2 | 0 | -155.6 | 151.7 | 90.5 | 0 | 0 | 107.9 | Q5 L6 I11 W37 V50 | M1-Q5 HydrophobicContact CG-CB 4.05Å; M1-L6 HydrophobicContact CE-CD2 3.29Å; M1-L6 HydrophobicContact CE-CG 3.78Å; M1-L6 HydrophobicContact CG-CG 4.44Å; M1-I11 HydrophobicContact CE-CG2 3.75Å; M1-W37 HydrophobicContact CE-CH2 4.09Å; M1-W37 HydrophobicContact CE-CZ2 3.68Å; M1-V50 HydrophobicContact CB-CB 4.08Å; M1-V50 HydrophobicContact CB-CG1 4.12Å; M1-V50 HydrophobicContact CB-CG2 4.39Å; M1-V50 HydrophobicContact CE-CG1 4.31Å; M1-V50 VanDerWaalsContact O-CB 3.24Å; M1-V50 WeakPolarHBondContact O-CB 3.29Å; M1-V50 WeakPolarHBondContact O-CG2 3.24Å | |||
| 2 | T | 69.6 | Low | 76.1 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -96.3 | 167 | -178.9 | 63 | 0 | 0 | 0 | 0 | 111.4 | I4 Q5 L6 | T2-I4 VanDerWaalsContact C-N 3.27Å; T2-I4 PolarHBondContact O-N 3.48Å; T2-Q5 PolarHBondContact O-N 3.41Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.18Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; T2-L6 PolarHBondContact O-N 3.29Å | ||
| 3 | M | 66.6 | Low | 76.9 | Confident | 79 Ų | 79 | 87.4 Ų | 87.4 | 39% | 0.389 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 175.4 | -172.9 | 177.4 | -61 | 0 | 0 | 112.5 | L6 Q7 L40 L41 | M3-L6 WeakPolarHBondContact O-CB 3.38Å; M3-L6 PolarHBondContact O-N 3.48Å; M3-Q7 WeakPolarHBondContact O-CG 3.47Å; M3-Q7 PolarHBondContact O-N 3.42Å; M3-L40 WeakPolarHBondContact CE-O 3.49Å; M3-L41 HydrophobicContact CE-CD2 4.23Å; M3-L41 HydrophobicContact CG-CD2 3.91Å; M3-L41 HydrophobicContact SD-CD2 3.94Å |
| 4 | I | 73.7 | Confident | 77.9 | Confident | 112 Ų | 112 | 87.6 Ų | 87.6 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.6 | -50.1 | 177.1 | -65.7 | 159.9 | 0 | 0 | 0 | 109.6 | T2 L6 Q7 D8 | T2-I4 VanDerWaalsContact C-N 3.27Å; T2-I4 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.98Å; I4-Q7 PolarHBondContact O-N 3.09Å; I4-Q7 VanDerWaalsContact O-N 3.08Å; I4-D8 WeakPolarHBondContact CG2-OD2 3.49Å; I4-D8 WeakPolarHBondContact O-CB 3.19Å; I4-D8 VanDerWaalsContact O-CG 3.27Å; I4-D8 PolarHBondContact O-N 2.8Å |
| 5 | Q | 72 | Confident | 78.7 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 175.5 | -72.6 | 172.9 | -22.4 | 0 | 0 | 112.1 | M1 T2 Q7 T9 | M1-Q5 HydrophobicContact CG-CB 4.05Å; T2-Q5 PolarHBondContact O-N 3.41Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.18Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; Q5-Q7 PolarHBondContact O-N 3.16Å; Q5-T9 VanDerWaalsContact O-CB 3.22Å; Q5-T9 WeakPolarHBondContact O-CB 3.04Å; Q5-T9 WeakPolarHBondContact O-CG2 3.38Å; Q5-T9 PolarHBondContact O-N 3Å; Q5-T9 PolarHBondContact O-OG1 3.47Å |
| 6 | L | 68.6 | Low | 79.3 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177 | -84.9 | 163.7 | 0 | 0 | 0 | 113 | M1 T2 M3 I4 I11 W37 V50 | M1-L6 HydrophobicContact CE-CD2 3.29Å; M1-L6 HydrophobicContact CE-CG 3.78Å; M1-L6 HydrophobicContact CG-CG 4.44Å; T2-L6 PolarHBondContact O-N 3.29Å; M3-L6 WeakPolarHBondContact O-CB 3.38Å; M3-L6 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.98Å; L6-I11 HydrophobicContact CD2-CG2 3.58Å; L6-W37 HydrophobicContact CD1-CG 4.48Å; L6-W37 HydrophobicContact CD2-CD2 3.71Å; L6-W37 HydrophobicContact CD2-CE3 3.84Å; L6-W37 HydrophobicContact CD2-CG 4.23Å; L6-W37 HydrophobicContact CD2-CH2 3.97Å; L6-W37 HydrophobicContact CD2-CZ2 3.91Å; L6-W37 HydrophobicContact CD2-CZ3 3.97Å; L6-V50 HydrophobicContact CD1-CB 4.4Å; L6-V50 HydrophobicContact CD1-CG1 3.93Å; L6-V50 HydrophobicContact CD1-CG2 3.45Å; L6-V50 VanDerWaalsContact CD1-CG2 3.45Å; L6-V50 HydrophobicContact CG-CG2 4.44Å |
| 7 | Q | 74.8 | Confident | 80.1 | Confident | 124 Ų | 124 | 83.4 Ų | 83.4 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.6 | -47.8 | 178.7 | -72.1 | 178.7 | -11.3 | 0 | 0 | 110.9 | M3 I4 Q5 R10 | M3-Q7 WeakPolarHBondContact O-CG 3.47Å; M3-Q7 PolarHBondContact O-N 3.42Å; I4-Q7 PolarHBondContact O-N 3.09Å; I4-Q7 VanDerWaalsContact O-N 3.08Å; Q5-Q7 PolarHBondContact O-N 3.16Å; Q7-R10 PolarHBondContact O-N 3.47Å |
| 8 | D | 83.6 | Confident | 80.7 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | -175.4 | -67 | -16.3 | 0 | 0 | 0 | 112.1 | I4 R10 | I4-D8 WeakPolarHBondContact CG2-OD2 3.49Å; I4-D8 WeakPolarHBondContact O-CB 3.19Å; I4-D8 VanDerWaalsContact O-CG 3.27Å; I4-D8 PolarHBondContact O-N 2.8Å; D8-R10 PolarHBondContact O-N 3.28Å |
| 9 | T | 84.6 | Confident | 81.3 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -9.8 | -178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | Q5 I11 | Q5-T9 VanDerWaalsContact O-CB 3.22Å; Q5-T9 WeakPolarHBondContact O-CB 3.04Å; Q5-T9 WeakPolarHBondContact O-CG2 3.38Å; Q5-T9 PolarHBondContact O-N 3Å; Q5-T9 PolarHBondContact O-OG1 3.47Å; T9-I11 PolarHBondContact O-N 3.09Å; T9-I11 WeakPolarHBondContact OG1-CB 3.48Å; T9-I11 WeakPolarHBondContact OG1-CG2 3.3Å; T9-I11 PolarHBondContact OG1-N 3.14Å |
| 10 | R | 85.8 | Confident | 81.7 | Confident | 169 Ų | 169 | 82.4 Ų | 82.4 | 64% | 0.638 | 42% | 0.415 | S | S | * | . | trans | 51.5 | 21.1 | -170.3 | -55.6 | -175.8 | 179.1 | -173.1 | 0.9 | 113.1 | Q7 D8 G12 Q13 L14 | Q7-R10 PolarHBondContact O-N 3.47Å; D8-R10 PolarHBondContact O-N 3.28Å; R10-G12 PolarHBondContact O-N 2.86Å; R10-Q13 WeakPolarHBondContact O-CB 3.46Å; R10-Q13 PolarHBondContact O-N 2.54Å; R10-L14 PolarHBondContact O-N 2.81Å; R10-L14 VanDerWaalsContact O-N 3.09Å | ||
| 11 | I | 86.4 | Confident | 82.2 | Confident | 40 Ų | 40 | 86.8 Ų | 86.8 | 21% | 0.205 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.1 | -29.2 | -176.2 | -171 | 60.6 | 0 | 0 | 0 | 111.9 | M1 L6 T9 Q13 L14 L15 W37 | M1-I11 HydrophobicContact CE-CG2 3.75Å; L6-I11 HydrophobicContact CD2-CG2 3.58Å; T9-I11 PolarHBondContact O-N 3.09Å; T9-I11 WeakPolarHBondContact OG1-CB 3.48Å; T9-I11 WeakPolarHBondContact OG1-CG2 3.3Å; T9-I11 PolarHBondContact OG1-N 3.14Å; I11-Q13 PolarHBondContact O-N 3.12Å; I11-L14 HydrophobicContact CD1-CB 4.34Å; I11-L14 HydrophobicContact CD1-CD2 3.92Å; I11-L14 PolarHBondContact O-N 3.07Å; I11-L15 HydrophobicContact CG1-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.07Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.47Å; I11-W37 HydrophobicContact CG1-CH2 4Å; I11-W37 HydrophobicContact CG2-CH2 4.07Å; I11-W37 HydrophobicContact CG2-CZ3 4.28Å |
| 12 | G | 84.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | R10 Q16 | R10-G12 PolarHBondContact O-N 2.86Å; G12-Q16 WeakPolarHBondContact O-CB 3.4Å; G12-Q16 PolarHBondContact O-N 3.15Å |
| 13 | Q | 85.9 | Confident | 84.8 | Confident | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.2 | -39.4 | 177.4 | -62.8 | 178.1 | -10.4 | 0 | 0 | 111.1 | R10 I11 Q16 T17 | R10-Q13 WeakPolarHBondContact O-CB 3.46Å; R10-Q13 PolarHBondContact O-N 2.54Å; I11-Q13 PolarHBondContact O-N 3.12Å; Q13-Q16 PolarHBondContact O-N 2.98Å; Q13-T17 WeakPolarHBondContact O-CB 3.45Å; Q13-T17 PolarHBondContact O-N 3.07Å; Q13-T17 PolarHBondContact O-OG1 2.68Å |
| 14 | L | 90.8 | Very high | 86 | Confident | 91 Ų | 91 | 87.8 Ų | 87.8 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.9 | -177.4 | 60.3 | 0 | 0 | 0 | 111.2 | R10 I11 Q16 T17 I18 | R10-L14 PolarHBondContact O-N 2.81Å; R10-L14 VanDerWaalsContact O-N 3.09Å; I11-L14 HydrophobicContact CD1-CB 4.34Å; I11-L14 HydrophobicContact CD1-CD2 3.92Å; I11-L14 PolarHBondContact O-N 3.07Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.34Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.07Å; L14-T17 VanDerWaalsContact O-N 3.13Å; L14-I18 HydrophobicContact CD1-CD1 3.73Å; L14-I18 HydrophobicContact CD1-CG1 4.13Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.73Å; L14-I18 HydrophobicContact CG-CG1 4.44Å; L14-I18 WeakPolarHBondContact O-CB 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.44Å |
| 15 | L | 90.2 | Very high | 87 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.2 | -77.6 | -154.1 | 0 | 0 | 0 | 111.7 | I11 T17 I18 R19 I30 I33 I34 W37 | I11-L15 HydrophobicContact CG1-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.07Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.47Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.16Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 2.83Å; L15-I30 HydrophobicContact CB-CG2 4Å; L15-I30 HydrophobicContact CD1-CG2 4.29Å; L15-I33 HydrophobicContact CD1-CB 4.42Å; L15-I33 HydrophobicContact CD1-CG2 3.67Å; L15-I34 HydrophobicContact CB-CD1 4.11Å; L15-I34 HydrophobicContact CB-CG1 4.27Å; L15-I34 HydrophobicContact CD1-CG1 4.45Å; L15-W37 HydrophobicContact CB-CZ3 4.2Å; L15-W37 HydrophobicContact CD1-CE3 4.28Å; L15-W37 HydrophobicContact CD1-CH2 3.08Å; L15-W37 HydrophobicContact CD1-CZ2 3.91Å; L15-W37 HydrophobicContact CD1-CZ3 3.29Å; L15-W37 HydrophobicContact CG-CH2 3.74Å; L15-W37 HydrophobicContact CG-CZ3 3.81Å |
| 16 | Q | 88.8 | Confident | 87.9 | Confident | 80 Ų | 80 | 86.3 Ų | 86.3 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 176.7 | -170.6 | 73.9 | -14.1 | 0 | 0 | 111.9 | G12 Q13 L14 R19 H20 I34 | G12-Q16 WeakPolarHBondContact O-CB 3.4Å; G12-Q16 PolarHBondContact O-N 3.15Å; Q13-Q16 PolarHBondContact O-N 2.98Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.34Å; Q16-R19 WeakPolarHBondContact O-CB 3.11Å; Q16-H20 PolarHBondContact O-CD2 2.85Å; Q16-H20 VanDerWaalsContact O-CD2 3.32Å; Q16-I34 HydrophobicContact CB-CD1 4.45Å; Q16-I34 VanDerWaalsContact OE1-CD1 3.31Å |
| 17 | T | 91.6 | Very high | 89.1 | Confident | 82 Ų | 82 | 87.8 Ų | 87.8 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | Q13 L14 L15 R19 | Q13-T17 WeakPolarHBondContact O-CB 3.45Å; Q13-T17 PolarHBondContact O-N 3.07Å; Q13-T17 PolarHBondContact O-OG1 2.68Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.07Å; L14-T17 VanDerWaalsContact O-N 3.13Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.16Å; T17-R19 VanDerWaalsContact C-N 3.34Å |
| 18 | I | 92 | Very high | 89.9 | Confident | 62 Ų | 62 | 88.5 Ų | 88.5 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.7 | -33 | 179.7 | -67.7 | 173.1 | 0 | 0 | 0 | 110.9 | L14 L15 H20 K21 V22 I30 | L14-I18 HydrophobicContact CD1-CD1 3.73Å; L14-I18 HydrophobicContact CD1-CG1 4.13Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.73Å; L14-I18 HydrophobicContact CG-CG1 4.44Å; L14-I18 WeakPolarHBondContact O-CB 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.44Å; L15-I18 PolarHBondContact O-N 2.93Å; I18-H20 PolarHBondContact O-N 2.93Å; I18-K21 WeakPolarHBondContact O-CA 3.44Å; I18-K21 PolarHBondContact O-N 3.16Å; I18-V22 HydrophobicContact CG2-CG1 3.42Å; I18-V22 VanDerWaalsContact CG2-CG1 3.42Å; I18-V22 PolarHBondContact O-N 3.3Å; I18-I30 HydrophobicContact CG2-CD1 4.06Å |
| 19 | R | 91.2 | Very high | 90.3 | Very high | 39 Ų | 39 | 89.9 Ų | 89.9 | 15% | 0.147 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -32.5 | -178.9 | -177.4 | 179.4 | 161 | -145.5 | -14.8 | 114 | L15 Q16 T17 Q27 I30 R31 | L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 2.83Å; Q16-R19 WeakPolarHBondContact O-CB 3.11Å; T17-R19 VanDerWaalsContact C-N 3.34Å; R19-Q27 HydrophobicContact CG-CG 3.76Å; R19-Q27 WeakPolarHBondContact O-CG 3.42Å; R19-Q27 PolarHBondContact O-NE2 2.76Å; R19-I30 HydrophobicContact CB-CG2 3.83Å; R19-I30 HydrophobicContact CG-CG2 4.09Å; R19-R31 VanDerWaalsContact NH2-NE 3.1Å |
| 20 | H | 89.5 | Confident | 90.7 | Very high | 129 Ų | 129 | 86.2 Ų | 86.2 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.7 | -179.8 | -63.3 | -70.5 | 0 | 0 | 0 | 113.7 | Q16 I18 | Q16-H20 PolarHBondContact O-CD2 2.85Å; Q16-H20 VanDerWaalsContact O-CD2 3.32Å; I18-H20 PolarHBondContact O-N 2.93Å |
| 21 | K | 92.7 | Very high | 90.9 | Very high | 174 Ų | 174 | 83.3 Ų | 83.3 | 76% | 0.757 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -8.3 | -177.7 | -61.3 | -172.2 | 176.3 | -172.5 | 0 | 113.8 | I18 | I18-K21 WeakPolarHBondContact O-CA 3.44Å; I18-K21 PolarHBondContact O-N 3.16Å |
| 22 | V | 93.6 | Very high | 91.1 | Very high | 35 Ų | 35 | 87 Ų | 87 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -103.7 | 162.8 | -178.4 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | I18 L26 Q27 I30 | I18-V22 HydrophobicContact CG2-CG1 3.42Å; I18-V22 VanDerWaalsContact CG2-CG1 3.42Å; I18-V22 PolarHBondContact O-N 3.3Å; V22-L26 HydrophobicContact CB-CB 4.07Å; V22-L26 HydrophobicContact CB-CD2 3.79Å; V22-L26 HydrophobicContact CB-CG 4.01Å; V22-L26 HydrophobicContact CG1-CD2 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.25Å; V22-L26 HydrophobicContact CG2-CB 4.01Å; V22-L26 HydrophobicContact CG2-CD2 4.3Å; V22-L26 HydrophobicContact CG2-CG 3.97Å; V22-Q27 HydrophobicContact CG2-CB 4.14Å; V22-I30 HydrophobicContact CG2-CD1 3.81Å |
| 23 | D | 94.2 | Very high | 91.3 | Very high | 122 Ų | 122 | 88.8 Ų | 88.8 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | trans | -60.8 | 154.4 | 178.4 | -61.5 | -48.6 | 0 | 0 | 0 | 113.1 | P25 L26 Q27 | D23-P25 VanDerWaalsContact C-CD 3.4Å; D23-L26 PolarHBondContact O-N 3.38Å; D23-Q27 WeakPolarHBondContact O-CB 3.18Å; D23-Q27 PolarHBondContact O-N 3.01Å | ||
| 24 | P | 92.8 | Very high | 91.4 | Very high | 86 Ų | 86 | 83.7 Ų | 83.7 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -52.2 | -38.1 | -177 | -26.3 | 33.7 | 0 | 0 | 0 | 116 | K28 | P24-K28 WeakPolarHBondContact O-CG 3.49Å; P24-K28 PolarHBondContact O-N 3.28Å |
| 25 | P | 93.4 | Very high | 91.2 | Very high | 87 Ų | 87 | 85.4 Ų | 85.4 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 175.6 | -22 | 34.4 | 0 | 0 | 0 | 112.5 | D23 K28 R29 | D23-P25 VanDerWaalsContact C-CD 3.4Å; P25-K28 WeakPolarHBondContact O-CB 3.22Å; P25-K28 PolarHBondContact O-N 2.7Å; P25-R29 PolarHBondContact O-N 3.37Å; P25-R29 VanDerWaalsContact O-N 3.12Å |
| 26 | L | 91.6 | Very high | 90.8 | Very high | 82 Ų | 82 | 85 Ų | 85 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.8 | -37.9 | 179 | -172.7 | 54.5 | 0 | 0 | 0 | 110.9 | V22 D23 K28 R29 I30 | V22-L26 HydrophobicContact CB-CB 4.07Å; V22-L26 HydrophobicContact CB-CD2 3.79Å; V22-L26 HydrophobicContact CB-CG 4.01Å; V22-L26 HydrophobicContact CG1-CD2 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.25Å; V22-L26 HydrophobicContact CG2-CB 4.01Å; V22-L26 HydrophobicContact CG2-CD2 4.3Å; V22-L26 HydrophobicContact CG2-CG 3.97Å; D23-L26 PolarHBondContact O-N 3.38Å; L26-K28 VanDerWaalsContact C-N 3.28Å; L26-K28 PolarHBondContact O-N 3.2Å; L26-R29 PolarHBondContact O-N 2.71Å; L26-R29 VanDerWaalsContact O-N 3.14Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.18Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 3.04Å |
| 27 | Q | 93 | Very high | 90.4 | Very high | 51 Ų | 51 | 82.4 Ų | 82.4 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 171.8 | -178.3 | 175.7 | 65.6 | 0 | 0 | 112.3 | R19 V22 D23 R31 | R19-Q27 HydrophobicContact CG-CG 3.76Å; R19-Q27 WeakPolarHBondContact O-CG 3.42Å; R19-Q27 PolarHBondContact O-NE2 2.76Å; V22-Q27 HydrophobicContact CG2-CB 4.14Å; D23-Q27 WeakPolarHBondContact O-CB 3.18Å; D23-Q27 PolarHBondContact O-N 3.01Å; Q27-R31 WeakPolarHBondContact O-CB 3.35Å; Q27-R31 PolarHBondContact O-N 3.29Å |
| 28 | K | 92.9 | Very high | 89.7 | Confident | 140 Ų | 140 | 84 Ų | 84 | 61% | 0.609 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.8 | -44.2 | 174.7 | -74.9 | 175.5 | -177.8 | 177.9 | 0 | 111.5 | P24 P25 L26 R31 L32 | P24-K28 WeakPolarHBondContact O-CG 3.49Å; P24-K28 PolarHBondContact O-N 3.28Å; P25-K28 WeakPolarHBondContact O-CB 3.22Å; P25-K28 PolarHBondContact O-N 2.7Å; L26-K28 VanDerWaalsContact C-N 3.28Å; L26-K28 PolarHBondContact O-N 3.2Å; K28-R31 PolarHBondContact O-N 2.78Å; K28-L32 WeakPolarHBondContact O-CG 2.87Å; K28-L32 PolarHBondContact O-N 3.2Å |
| 29 | R | 92 | Very high | 89 | Confident | 146 Ų | 146 | 88.2 Ų | 88.2 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.5 | -49.3 | 176 | -70.6 | -176.6 | 177.5 | -175 | -1.6 | 111.2 | P25 L26 R31 L32 I33 | P25-R29 PolarHBondContact O-N 3.37Å; P25-R29 VanDerWaalsContact O-N 3.12Å; L26-R29 PolarHBondContact O-N 2.71Å; L26-R29 VanDerWaalsContact O-N 3.14Å; R29-R31 VanDerWaalsContact C-N 3.3Å; R29-R31 PolarHBondContact O-N 3.27Å; R29-L32 WeakPolarHBondContact O-CB 3.24Å; R29-L32 PolarHBondContact O-N 2.89Å; R29-L32 VanDerWaalsContact O-N 3.08Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 2.82Å |
| 30 | I | 92 | Very high | 87.9 | Confident | 9 Ų | 9 | 87.5 Ų | 87.5 | 5% | 0.046 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.6 | -66.6 | 173.3 | 0 | 0 | 0 | 111.1 | L15 I18 R19 V22 L26 L32 I33 I34 | L15-I30 HydrophobicContact CB-CG2 4Å; L15-I30 HydrophobicContact CD1-CG2 4.29Å; I18-I30 HydrophobicContact CG2-CD1 4.06Å; R19-I30 HydrophobicContact CB-CG2 3.83Å; R19-I30 HydrophobicContact CG-CG2 4.09Å; V22-I30 HydrophobicContact CG2-CD1 3.81Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.18Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 3.04Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.18Å; I30-I33 PolarHBondContact O-N 3.38Å; I30-I34 HydrophobicContact CG2-CD1 3.68Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.09Å; I30-I34 PolarHBondContact O-N 2.95Å |
| 31 | R | 91.5 | Very high | 86.7 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.3 | -174.2 | -172.6 | -83.9 | 145.8 | -11 | 112.2 | R19 Q27 K28 R29 K35 | R19-R31 VanDerWaalsContact NH2-NE 3.1Å; Q27-R31 WeakPolarHBondContact O-CB 3.35Å; Q27-R31 PolarHBondContact O-N 3.29Å; K28-R31 PolarHBondContact O-N 2.78Å; R29-R31 VanDerWaalsContact C-N 3.3Å; R29-R31 PolarHBondContact O-N 3.27Å; R31-K35 WeakPolarHBondContact O-CB 3.37Å; R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 2.82Å |
| 32 | L | 90 | Very high | 85.4 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 176.1 | -74.1 | 170.7 | 0 | 0 | 0 | 111.3 | K28 R29 I30 K35 A36 | K28-L32 WeakPolarHBondContact O-CG 2.87Å; K28-L32 PolarHBondContact O-N 3.2Å; R29-L32 WeakPolarHBondContact O-CB 3.24Å; R29-L32 PolarHBondContact O-N 2.89Å; R29-L32 VanDerWaalsContact O-N 3.08Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.18Å; L32-K35 PolarHBondContact O-N 2.87Å; L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 2.85Å |
| 33 | I | 88.1 | Confident | 83.7 | Confident | 70 Ų | 70 | 84.9 Ų | 84.9 | 36% | 0.359 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.6 | -52.3 | 176.4 | -68.6 | 169.4 | 0 | 0 | 0 | 109.9 | L15 R29 I30 K35 A36 W37 | L15-I33 HydrophobicContact CD1-CB 4.42Å; L15-I33 HydrophobicContact CD1-CG2 3.67Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 2.82Å; I30-I33 PolarHBondContact O-N 3.38Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.21Å; I33-A36 PolarHBondContact O-N 3.23Å; I33-A36 VanDerWaalsContact O-N 3.16Å; I33-W37 HydrophobicContact CG2-CD2 3.74Å; I33-W37 HydrophobicContact CG2-CE3 4.19Å; I33-W37 HydrophobicContact CG2-CG 4.45Å; I33-W37 HydrophobicContact CG2-CH2 3.73Å; I33-W37 HydrophobicContact CG2-CZ2 3.15Å; I33-W37 HydrophobicContact CG2-CZ3 4.19Å; I33-W37 PolarHBondContact O-N 2.92Å |
| 34 | I | 86.8 | Confident | 82.1 | Confident | 18 Ų | 18 | 87 Ų | 87 | 9% | 0.092 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.4 | -65.7 | 171.8 | 0 | 0 | 0 | 111.6 | L15 Q16 I30 W37 Q38 | L15-I34 HydrophobicContact CB-CD1 4.11Å; L15-I34 HydrophobicContact CB-CG1 4.27Å; L15-I34 HydrophobicContact CD1-CG1 4.45Å; Q16-I34 HydrophobicContact CB-CD1 4.45Å; Q16-I34 VanDerWaalsContact OE1-CD1 3.31Å; I30-I34 HydrophobicContact CG2-CD1 3.68Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.09Å; I30-I34 PolarHBondContact O-N 2.95Å; I34-W37 HydrophobicContact CG1-CE3 4.29Å; I34-W37 WeakPolarHBondContact O-CB 3.45Å; I34-W37 PolarHBondContact O-N 3.11Å; I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.01Å; I34-Q38 PolarHBondContact O-N 3.12Å |
| 35 | K | 87.1 | Confident | 80.5 | Confident | 127 Ų | 127 | 89 Ų | 89 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 176.3 | -88.2 | -168.6 | 165.1 | -166.7 | 0 | 112.6 | R31 L32 I33 W37 Q38 K39 | R31-K35 WeakPolarHBondContact O-CB 3.37Å; R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 2.82Å; L32-K35 PolarHBondContact O-N 2.87Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.21Å; K35-W37 VanDerWaalsContact C-N 3.29Å; K35-Q38 PolarHBondContact O-N 3.39Å; K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.86Å; K35-K39 VanDerWaalsContact O-N 3.16Å |
| 36 | A | 81.9 | Confident | 78.6 | Confident | 20 Ų | 20 | 90.5 Ų | 90.5 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L32 I33 K39 L40 P52 | L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 2.85Å; I33-A36 PolarHBondContact O-N 3.23Å; I33-A36 VanDerWaalsContact O-N 3.16Å; A36-K39 WeakPolarHBondContact O-CB 3.2Å; A36-K39 PolarHBondContact O-N 2.73Å; A36-L40 WeakPolarHBondContact O-CG 3.33Å; A36-L40 PolarHBondContact O-N 3.5Å; A36-P52 HydrophobicContact CB-CG 3.95Å |
| 37 | W | 80.8 | Confident | 76.9 | Confident | 26 Ų | 26 | 92.7 Ų | 92.7 | 10% | 0.098 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.1 | -60.7 | -8.9 | 0 | 0 | 0 | 112.9 | M1 L6 I11 L15 I33 I34 K35 K39 L40 L41 V50 | M1-W37 HydrophobicContact CE-CH2 4.09Å; M1-W37 HydrophobicContact CE-CZ2 3.68Å; L6-W37 HydrophobicContact CD1-CG 4.48Å; L6-W37 HydrophobicContact CD2-CD2 3.71Å; L6-W37 HydrophobicContact CD2-CE3 3.84Å; L6-W37 HydrophobicContact CD2-CG 4.23Å; L6-W37 HydrophobicContact CD2-CH2 3.97Å; L6-W37 HydrophobicContact CD2-CZ2 3.91Å; L6-W37 HydrophobicContact CD2-CZ3 3.97Å; I11-W37 HydrophobicContact CG1-CH2 4Å; I11-W37 HydrophobicContact CG2-CH2 4.07Å; I11-W37 HydrophobicContact CG2-CZ3 4.28Å; L15-W37 HydrophobicContact CB-CZ3 4.2Å; L15-W37 HydrophobicContact CD1-CE3 4.28Å; L15-W37 HydrophobicContact CD1-CH2 3.08Å; L15-W37 HydrophobicContact CD1-CZ2 3.91Å; L15-W37 HydrophobicContact CD1-CZ3 3.29Å; L15-W37 HydrophobicContact CG-CH2 3.74Å; L15-W37 HydrophobicContact CG-CZ3 3.81Å; I33-W37 HydrophobicContact CG2-CD2 3.74Å; I33-W37 HydrophobicContact CG2-CE3 4.19Å; I33-W37 HydrophobicContact CG2-CG 4.45Å; I33-W37 HydrophobicContact CG2-CH2 3.73Å; I33-W37 HydrophobicContact CG2-CZ2 3.15Å; I33-W37 HydrophobicContact CG2-CZ3 4.19Å; I33-W37 PolarHBondContact O-N 2.92Å; I34-W37 HydrophobicContact CG1-CE3 4.29Å; I34-W37 WeakPolarHBondContact O-CB 3.45Å; I34-W37 PolarHBondContact O-N 3.11Å; K35-W37 VanDerWaalsContact C-N 3.29Å; W37-K39 PolarHBondContact O-N 3.38Å; W37-L40 WeakPolarHBondContact O-CB 3.46Å; W37-L40 PolarHBondContact O-N 3.47Å; W37-L41 PolarHBondContact O-N 2.91Å; W37-L41 VanDerWaalsContact O-N 3.13Å; W37-V50 VanDerWaalsContact CD1-CG1 3.43Å; W37-V50 HydrophobicContact CG-CG1 4.44Å |
| 38 | Q | 77.3 | Confident | 75.1 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -32.8 | 176.8 | -76 | 177.1 | -26.4 | 0 | 0 | 112.7 | I34 K35 L40 L41 S42 | I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.01Å; I34-Q38 PolarHBondContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 3.39Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L41 PolarHBondContact O-N 2.93Å; Q38-S42 PolarHBondContact O-N 3.03Å; Q38-S42 PolarHBondContact O-OG 2.69Å |
| 39 | K | 77.4 | Confident | 73.3 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -32.7 | 173.6 | -74.9 | -173.2 | 171.3 | -164 | 0 | 112.6 | K35 A36 W37 L41 S42 | K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.86Å; K35-K39 VanDerWaalsContact O-N 3.16Å; A36-K39 WeakPolarHBondContact O-CB 3.2Å; A36-K39 PolarHBondContact O-N 2.73Å; W37-K39 PolarHBondContact O-N 3.38Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-S42 VanDerWaalsContact O-CB 3.29Å; K39-S42 WeakPolarHBondContact O-CB 3.47Å; K39-S42 PolarHBondContact O-N 3.26Å |
| 40 | L | 66.5 | Low | 71.4 | Confident | 24 Ų | 24 | 92.2 Ų | 92.2 | 13% | 0.126 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -75 | -27 | 176.9 | -60.9 | 166.6 | 0 | 0 | 0 | 112.3 | M3 A36 W37 Q38 S42 H47 Y49 V50 | M3-L40 WeakPolarHBondContact CE-O 3.49Å; A36-L40 WeakPolarHBondContact O-CG 3.33Å; A36-L40 PolarHBondContact O-N 3.5Å; W37-L40 WeakPolarHBondContact O-CB 3.46Å; W37-L40 PolarHBondContact O-N 3.47Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.43Å; L40-H47 HydrophobicContact CD2-CB 3.95Å; L40-Y49 WeakPolarHBondContact CD1-O 3.47Å; L40-V50 HydrophobicContact CD1-CB 4.16Å; L40-V50 HydrophobicContact CD1-CG2 3.76Å |
| 41 | L | 64.9 | Low | 69.6 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.3 | 171.7 | -63.9 | 174.2 | 0 | 0 | 0 | 112.8 | M3 W37 Q38 K39 S43 | M3-L41 HydrophobicContact CE-CD2 4.23Å; M3-L41 HydrophobicContact CG-CD2 3.91Å; M3-L41 HydrophobicContact SD-CD2 3.94Å; W37-L41 PolarHBondContact O-N 2.91Å; W37-L41 VanDerWaalsContact O-N 3.13Å; Q38-L41 PolarHBondContact O-N 2.93Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.23Å |
| 42 | S | 66.1 | Low | 67.5 | Low | 54 Ų | 54 | 97.6 Ų | 97.6 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -70.9 | 125.9 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 108.3 | Q38 K39 L40 E44 Y45 | Q38-S42 PolarHBondContact O-N 3.03Å; Q38-S42 PolarHBondContact O-OG 2.69Å; K39-S42 VanDerWaalsContact O-CB 3.29Å; K39-S42 WeakPolarHBondContact O-CB 3.47Å; K39-S42 PolarHBondContact O-N 3.26Å; L40-S42 PolarHBondContact O-N 3.43Å; S42-E44 PolarHBondContact O-N 3.25Å; S42-Y45 PolarHBondContact O-N 3.25Å |
| 43 | S | 57.7 | Low | 65.5 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 91% | 0.909 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -16.4 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 114.6 | L41 | L41-S43 PolarHBondContact O-N 3.23Š|
| 44 | E | 61.3 | Low | 63.7 | Low | 167 Ų | 167 | 105.1 Ų | 105.1 | 78% | 0.78 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -9.9 | -178.9 | -64.6 | 173.4 | 178 | 0 | 0 | 113.6 | S42 | S42-E44 PolarHBondContact O-N 3.25Š|
| 45 | Y | 58 | Low | 61.6 | Low | 126 Ų | 126 | 109.4 Ų | 109.4 | 49% | 0.494 | 56% | 0.555 | S | S | . | * | trans | -128.4 | 78.7 | -175.5 | -64.6 | -88.3 | 0 | 0 | 0 | 111.5 | S42 H47 | S42-Y45 PolarHBondContact O-N 3.25Å; Y45-H47 PolarHBondContact O-N 2.77Å | ||
| 46 | S | 53.8 | Low | 59.2 | Low | 119 Ų | 119 | 108.7 Ų | 108.7 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | trans | -71 | 35.3 | 171.8 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | Q48 | S46-Q48 PolarHBondContact O-N 3.47Š| ||
| 47 | H | 55.2 | Low | 57.2 | Low | 129 Ų | 129 | 113.9 Ų | 113.9 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | trans | -78.5 | 120.1 | 178.8 | -69.7 | 58.2 | 0 | 0 | 0 | 109 | L40 Y45 Y49 | L40-H47 HydrophobicContact CD2-CB 3.95Å; Y45-H47 PolarHBondContact O-N 2.77Å; H47-Y49 PolarHBondContact O-N 3.08Å; H47-Y49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | Q | 56.3 | Low | 55.4 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | trans | -71.4 | -5.9 | -171.5 | -157.5 | 166.9 | 10.1 | 0 | 0 | 114 | S46 | S46-Q48 PolarHBondContact O-N 3.47Š| ||
| 49 | Y | 53.9 | Low | 53.6 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -117.6 | 135.8 | -171.2 | -61.3 | -78.1 | 0 | 0 | 0 | 113.3 | L40 H47 | L40-Y49 WeakPolarHBondContact CD1-O 3.47Å; H47-Y49 PolarHBondContact O-N 3.08Å; H47-Y49 VanDerWaalsContact O-N 3.13Å | ||
| 50 | V | 53.8 | Low | 51.9 | Low | 10 Ų | 10 | 123.9 Ų | 123.9 | 6% | 0.061 | 65% | 0.646 | C | S | . | * | S | Bend | trans | -96.5 | -3.2 | -161.7 | 164.7 | 0 | 0 | 0 | 0 | 115 | M1 L6 W37 L40 | M1-V50 HydrophobicContact CB-CB 4.08Å; M1-V50 HydrophobicContact CB-CG1 4.12Å; M1-V50 HydrophobicContact CB-CG2 4.39Å; M1-V50 HydrophobicContact CE-CG1 4.31Å; M1-V50 VanDerWaalsContact O-CB 3.24Å; M1-V50 WeakPolarHBondContact O-CB 3.29Å; M1-V50 WeakPolarHBondContact O-CG2 3.24Å; L6-V50 HydrophobicContact CD1-CB 4.4Å; L6-V50 HydrophobicContact CD1-CG1 3.93Å; L6-V50 HydrophobicContact CD1-CG2 3.45Å; L6-V50 VanDerWaalsContact CD1-CG2 3.45Å; L6-V50 HydrophobicContact CG-CG2 4.44Å; W37-V50 VanDerWaalsContact CD1-CG1 3.43Å; W37-V50 HydrophobicContact CG-CG1 4.44Å; L40-V50 HydrophobicContact CD1-CB 4.16Å; L40-V50 HydrophobicContact CD1-CG2 3.76Å |
| 51 | I | 54.2 | Low | 50.8 | Low | 138 Ų | 138 | 128.5 Ų | 128.5 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -128 | 115.5 | -176.3 | -54.8 | 176.4 | 0 | 0 | 0 | 108.6 | L53 | I51-L53 PolarHBondContact O-N 3.06Š|
| 52 | P | 47.5 | Very low | 49.9 | Very low | 92 Ų | 92 | 130 Ų | 130 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | trans | -64.4 | 110 | 169.5 | -14 | 27.5 | 0 | 0 | 0 | 108.3 | A36 K54 | A36-P52 HydrophobicContact CB-CG 3.95Å; P52-K54 PolarHBondContact O-N 3Å | ||
| 53 | L | 48 | Very low | 48.5 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | -53.4 | 112.4 | 160.1 | -74.6 | 153.5 | 0 | 0 | 0 | 106.3 | I51 T55 | I51-L53 PolarHBondContact O-N 3.06Å; L53-T55 HydrophobicContact CB-CG2 4.36Å; L53-T55 PolarHBondContact O-N 3.38Å | ||
| 54 | K | 50.3 | Low | 48 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -73.6 | 76.7 | 161.6 | -76.3 | -161.3 | 174.2 | -174.1 | 0 | 106.9 | P52 S56 | P52-K54 PolarHBondContact O-N 3Å; K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.13Å | ||
| 55 | T | 41.9 | Very low | 47.2 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -65.9 | 103.5 | 156.2 | 48.9 | 0 | 0 | 0 | 0 | 105.9 | L53 D57 | L53-T55 HydrophobicContact CB-CG2 4.36Å; L53-T55 PolarHBondContact O-N 3.38Å; T55-D57 PolarHBondContact O-N 2.89Å | ||
| 56 | S | 37.1 | Very low | 46.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | -64.4 | 77.4 | 161.6 | 160.7 | 0 | 0 | 0 | 0 | 107.7 | K54 | K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.13Å | ||
| 57 | D | 38.3 | Very low | 46.1 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | -125 | 88.8 | 160.5 | -85 | -40.6 | 0 | 0 | 0 | 108.5 | T55 N59 | T55-D57 PolarHBondContact O-N 2.89Å; D57-N59 PolarHBondContact O-N 2.87Å | ||
| 58 | K | 44.8 | Very low | 45.6 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -59.1 | 87.9 | 150.1 | -74.1 | 175.3 | 176.1 | 174.8 | 0 | 106.6 | ||||
| 59 | N | 38.6 | Very low | 45.2 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -176.5 | 67.3 | 157.7 | -83.6 | -28.1 | 0 | 0 | 0 | 109.5 | D57 P61 | D57-N59 PolarHBondContact O-N 2.87Å; N59-P61 WeakPolarHBondContact O-CD 3.34Å | ||
| 60 | I | 41.9 | Very low | 44.7 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 80% | 0.795 | 74% | 0.74 | S | S | * | * | trans | -91.4 | 110 | 156.4 | -61.9 | 174.8 | 0 | 0 | 0 | 105.8 | T62 | I60-T62 PolarHBondContact O-N 3.34Å; I60-T62 VanDerWaalsContact O-N 3.15Å | ||
| 61 | P | 43.1 | Very low | 44.5 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -70.3 | 111.7 | 170.2 | 27.8 | -28.5 | 0 | 0 | 0 | 107.7 | N59 S63 | N59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-S63 PolarHBondContact O-N 2.87Å | ||
| 62 | T | 46.4 | Very low | 44.3 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -51 | 128.3 | 164 | -21 | 0 | 0 | 0 | 0 | 108.5 | I60 P64 | I60-T62 PolarHBondContact O-N 3.34Å; I60-T62 VanDerWaalsContact O-N 3.15Å; T62-P64 WeakPolarHBondContact O-CD 3.36Å | ||
| 63 | S | 36.3 | Very low | 44.2 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -55.4 | 125.5 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | P61 K65 | P61-S63 PolarHBondContact O-N 2.87Å; S63-K65 PolarHBondContact O-N 3.13Å | ||
| 64 | P | 46.8 | Very low | 44.4 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 109.5 | 172.3 | 29.2 | -27.8 | 0 | 0 | 0 | 108 | T62 S66 | T62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-S66 PolarHBondContact O-N 3.15Å; P64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 65 | K | 45.1 | Very low | 44.2 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -56.4 | 114.4 | 168.6 | -151.1 | 172.7 | -175.2 | 176.4 | 0 | 108.2 | S63 N67 | S63-K65 PolarHBondContact O-N 3.13Å; K65-N67 PolarHBondContact O-N 3.12Å | ||
| 66 | S | 38.8 | Very low | 44.5 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -60.3 | 124 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | P64 | P64-S66 PolarHBondContact O-N 3.15Å; P64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 67 | N | 50.1 | Low | 44.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -141.9 | 112.4 | 152.5 | -83 | -30.8 | 0 | 0 | 0 | 106.4 | K65 | K65-N67 PolarHBondContact O-N 3.12Š| ||
| 68 | G | 43.7 | Very low | 45.5 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 159 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 69 | T | 48.3 | Very low | 45.3 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -169 | 124.3 | 136.3 | -60.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 70 | P | 43.3 | Very low | 45.7 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -101.7 | 129.2 | 179.1 | 34.6 | -25.4 | 0 | 0 | 0 | 111.5 | ||||
| 71 | T | 50.3 | Low | 45.7 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 103.1 | 168.5 | -41.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 72 | K | 50.3 | Low | 45.7 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 47.3 | 122.1 | 143.9 | -70.4 | -178.1 | 173.6 | 179 | 0 | 122.8 | ||||
| 73 | I | 46.1 | Very low | 45.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | trans | -66.2 | 156.8 | 157.5 | -37.7 | 170.5 | 0 | 0 | 0 | 110.5 | ||||
| 74 | P | 50.7 | Low | 46 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -147.2 | 132.5 | 87.4 | 30.2 | -8.4 | 0 | 0 | 0 | 114.4 | |||||
| 75 | A | 46.2 | Very low | 45.9 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | 61.8 | 111.2 | 90.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 76 | R | 49 | Very low | 45.8 | Very low | 244 Ų | 244 | 143.5 Ų | 143.5 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -163.2 | 103 | 143.1 | -137.2 | 179.6 | -177.9 | -172.2 | 1.6 | 115.1 | ||||
| 77 | E | 44.9 | Very low | 45.9 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -0.9 | 156.7 | 142.1 | -97 | -178.6 | 153.4 | 0 | 0 | 125.9 | ||||
| 78 | K | 50.3 | Low | 45.5 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | trans | 113.8 | 105.9 | 152.8 | -64.4 | -176.5 | -179.2 | -176.4 | 0 | 114 | ||||
| 79 | S | 41 | Very low | 45.7 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 78.7 | 119.6 | 51 | 106.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 80 | K | 47.6 | Very low | 45.5 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | 152.2 | 101.6 | 149.3 | -87.6 | 177 | 178.3 | -170.1 | 0 | 109.8 | ||||
| 81 | Q | 41.1 | Very low | 45.6 | Very low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | 96.3 | 131.8 | 79 | -155.7 | -178.9 | 11.3 | 0 | 0 | 112.5 | |||||
| 82 | P | 43.6 | Very low | 45.3 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -106.7 | 166.7 | -174 | 40 | -32 | 0 | 0 | 0 | 114.2 | ||||
| 83 | A | 50.4 | Low | 44.9 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -151.9 | 124.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 84 | D | 39.6 | Very low | 45.3 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -57.6 | 152 | 160.1 | -89.1 | -47.1 | 0 | 0 | 0 | 112.1 | ||||
| 85 | V | 44.4 | Very low | 44.9 | Very low | 147 Ų | 147 | 153 Ų | 153 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | -164.8 | 131.7 | 128.5 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 86 | V | 41.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 67% | 0.673 | 82% | 0.819 | S | S | * | * | trans | -68.8 | 143 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 87 | N | 41.5 | Very low | 44.1 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | -175.7 | 141.3 | 127.2 | -101.6 | -16.9 | 0 | 0 | 0 | 115 | |||||
| 88 | A | 40.7 | Very low | 44 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | -74.8 | 166.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 89 | I | 47.7 | Very low | 43.6 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | 168.4 | 146.5 | 125 | -80.5 | 154.3 | 0 | 0 | 0 | 111 | |||||
| 90 | Y | 44.6 | Very low | 43.7 | Very low | 226 Ų | 226 | 150.2 Ų | 150.2 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | trans | -64.1 | 175.7 | -164.3 | -107.2 | -114.1 | 0 | 0 | 0 | 119 | ||||
| 91 | P | 45 | Very low | 43.4 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -100.7 | 173 | -159.1 | 41.4 | -33.2 | 0 | 0 | 0 | 115.1 | ||||
| 92 | S | 45 | Very low | 43.6 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -142 | 135.2 | 171 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 93 | Q | 42.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -75.7 | 163.9 | 174 | -61.6 | -162.3 | -7 | 0 | 0 | 113.5 | ||||
| 94 | M | 53.3 | Low | 43.4 | Very low | 171 Ų | 171 | 155 Ų | 155 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -177.4 | 108.6 | 142 | -83.3 | -102.2 | 166.8 | 0 | 0 | 107.7 | ||||
| 95 | K | 44 | Very low | 43.5 | Very low | 179 Ų | 179 | 157 Ų | 157 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | 76.3 | 124.1 | 88.7 | -86 | -170.9 | 177.5 | -178.6 | 0 | 117.6 | |||||
| 96 | C | 36.2 | Very low | 43.9 | Very low | 126 Ų | 126 | 156 Ų | 156 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 62.1 | 146.1 | 149.3 | -70.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 97 | S | 41 | Very low | 43.8 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -162.9 | 151.6 | 30.4 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 98 | E | 42.9 | Very low | 44.3 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -64.2 | 150.1 | 164.5 | -67.1 | 169 | 128 | 0 | 0 | 112.4 | ||||
| 99 | H | 42.2 | Very low | 44.4 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -158 | 119.8 | 142.1 | -94.2 | -63.2 | 0 | 0 | 0 | 111.5 | ||||
| 100 | L | 43.7 | Very low | 44.6 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -64.8 | 143.3 | 163.4 | -80.7 | 108.1 | 0 | 0 | 0 | 111.4 | ||||
| 101 | T | 41.5 | Very low | 44.8 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -157.7 | 125.9 | 135.8 | -41.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 102 | K | 44.8 | Very low | 44.6 | Very low | 192 Ų | 192 | 157.6 Ų | 157.6 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -66.7 | 141.3 | 166.5 | -70.9 | 168.9 | 170.7 | 174.7 | 0 | 111.4 | ||||
| 103 | R | 41.7 | Very low | 44.8 | Very low | 225 Ų | 225 | 159 Ų | 159 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | trans | -170.9 | 116.7 | 135.5 | -128.7 | 163.2 | 173.6 | 159.8 | -0.8 | 115.3 | ||||
| 104 | N | 48.2 | Very low | 44.8 | Very low | 140 Ų | 140 | 157.6 Ų | 157.6 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 61.2 | 119.4 | 134.4 | -59 | -1.7 | 0 | 0 | 0 | 122.9 | ||||
| 105 | F | 40.7 | Very low | 44.2 | Very low | 199 Ų | 199 | 158.2 Ų | 158.2 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -61.7 | 161.6 | 147.1 | -85.8 | -92.4 | 0 | 0 | 0 | 111.5 | ||||
| 106 | P | 52.9 | Low | 44.2 | Very low | 125 Ų | 125 | 158.1 Ų | 158.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | -144.5 | 159.5 | 93.7 | 35.2 | -16.7 | 0 | 0 | 0 | 116.2 | |||||
| 107 | D | 40.7 | Very low | 44.4 | Very low | 154 Ų | 154 | 158.7 Ų | 158.7 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -75.3 | 146.5 | 174.5 | -161.4 | 1.9 | 0 | 0 | 0 | 111.7 | ||||
| 108 | S | 51.3 | Low | 44.7 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -156.6 | 121.3 | 163.2 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | S | 42.4 | Very low | 44.7 | Very low | 111 Ų | 111 | 158 Ų | 158 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 160.7 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | P | 52.1 | Low | 44.7 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -97.1 | 148.5 | 177.8 | 36.9 | -30.7 | 0 | 0 | 0 | 113.4 | ||||
| 111 | E | 49 | Very low | 44.6 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -136.2 | 139.1 | 170.1 | -151.5 | 171.5 | -166.3 | 0 | 0 | 111.8 | ||||
| 112 | K | 41.1 | Very low | 44.7 | Very low | 193 Ų | 193 | 156.3 Ų | 156.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 160.1 | -175.9 | -64.3 | 169.3 | 174.8 | 174.6 | 0 | 111.8 | ||||
| 113 | L | 48 | Very low | 44.6 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -171 | 122.3 | 138.3 | -98.6 | 163.9 | 0 | 0 | 0 | 111.4 | ||||
| 114 | N | 42.5 | Very low | 45 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 37 | 159.1 | 138.4 | -60 | -13.7 | 0 | 0 | 0 | 122.2 | ||||
| 115 | K | 41.5 | Very low | 44.5 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | cis | 171.3 | 163.9 | -26.3 | -149.5 | -179.5 | -175.8 | -173.6 | 0 | 104.1 | ||||
| 116 | E | 43.4 | Very low | 44.6 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 149.2 | 170.2 | -71.4 | 177.6 | 125.1 | 0 | 0 | 118.3 | ||||
| 117 | D | 41.5 | Very low | 43.8 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -173.9 | 161.8 | -34.4 | -129.9 | -32.1 | 0 | 0 | 0 | 106.8 | ||||
| 118 | S | 46.4 | Very low | 44 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 75.8 | 143.7 | 164.5 | -50.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 119 | Q | 43.2 | Very low | 43.3 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | cis | -169.7 | 139.6 | 20.5 | -138.2 | 179.9 | -5.8 | 0 | 0 | 111.6 | ||||
| 120 | K | 42 | Very low | 43.5 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 67.3 | 132.3 | 131.7 | -93.8 | -179.9 | 176.1 | -176.2 | 0 | 126 | ||||
| 121 | H | 42 | Very low | 42.8 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | trans | 118.3 | 105.5 | 139.7 | -75.4 | -66 | 0 | 0 | 0 | 115.4 | ||||
| 122 | Q | 43.4 | Very low | 43.1 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 60.9 | 135.1 | 86.7 | -107.5 | -172.8 | -27.2 | 0 | 0 | 112.4 | |||||
| 123 | N | 42.1 | Very low | 42.8 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | cis | -168.7 | 163.6 | 20 | -146.8 | 16.6 | 0 | 0 | 0 | 110.6 | ||||
| 124 | D | 50 | Low | 42.6 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 78.5 | 127.2 | 146.2 | -59.5 | -31.3 | 0 | 0 | 0 | 125.8 | ||||
| 125 | N | 38.4 | Very low | 42.4 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -64.6 | 149.3 | 170.7 | -74 | -39.2 | 0 | 0 | 0 | 114.4 | ||||
| 126 | S | 42.8 | Very low | 42.6 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | -161.1 | 133.2 | 133.4 | -105.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 127 | V | 36.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -78.7 | 140.9 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 128 | S | 44.7 | Very low | 42.3 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -156.8 | 114.8 | 153.8 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 129 | N | 36.1 | Very low | 42.3 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -61.5 | 142.1 | 169.3 | -85.6 | -59.1 | 0 | 0 | 0 | 112.2 | ||||
| 130 | I | 47.5 | Very low | 42 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -138 | 116 | 146.6 | -51.1 | 176.5 | 0 | 0 | 0 | 110 | ||||
| 131 | S | 35.9 | Very low | 41.6 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -83.8 | 134.3 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 132 | K | 55.6 | Low | 41.4 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -146 | 82.5 | 154.2 | -72.2 | -165.3 | -178.8 | 173.9 | 0 | 112.1 | ||||
| 133 | R | 35.9 | Very low | 41 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 6.5 | 121 | 127.1 | -155.4 | 179.5 | -170.9 | -172.5 | 2.3 | 116.8 | |||||
| 134 | L | 42 | Very low | 40.9 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -143.6 | 116.5 | 141.7 | -139.3 | 88.3 | 0 | 0 | 0 | 109.6 | ||||
| 135 | K | 39.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -95.4 | 143.4 | 172.1 | -67.7 | -177.7 | 168.8 | -166.4 | 0 | 108 | ||||
| 136 | F | 45.4 | Very low | 40.4 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -158 | 100.9 | 145.1 | -92.3 | -74.6 | 0 | 0 | 0 | 108 | ||||
| 137 | I | 47.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 65% | 0.646 | 77% | 0.769 | S | S | * | * | 93.5 | 105.7 | 96.8 | -74.3 | -173.7 | 0 | 0 | 0 | 111.9 | T139 | I137-T139 WeakPolarHBondContact CG2-OG1 3.44Š| |||
| 138 | D | 32.4 | Very low | 40.4 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -68.9 | 139.5 | 154.5 | -80.5 | -47.6 | 0 | 0 | 0 | 109.5 | ||||
| 139 | T | 44.8 | Very low | 40.7 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -139.8 | 95.3 | 165.7 | -50.4 | 0 | 0 | 0 | 0 | 109.6 | I137 | I137-T139 WeakPolarHBondContact CG2-OG1 3.44Š| ||
| 140 | T | 37.7 | Very low | 40.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | 19.5 | 125.4 | 134.8 | 51.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 141 | S | 33.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 50.3 | 110.1 | 122.3 | -165.4 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 142 | A | 38.2 | Very low | 41.1 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -144.9 | 102.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 143 | V | 34.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -60.3 | 124.1 | 159.3 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | Q145 | V143-Q145 HydrophobicContact CG1-CB 4.49Š| ||
| 144 | V | 40.7 | Very low | 41.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 101.7 | 162.1 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | V146 | V144-V146 HydrophobicContact CG1-CG2 4.02Š| ||
| 145 | Q | 34.4 | Very low | 41.1 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | -79.3 | 120.6 | 170.6 | -178.4 | -177.1 | 3.2 | 0 | 0 | 108 | V143 | V143-Q145 HydrophobicContact CG1-CB 4.49Š| ||
| 146 | V | 42.7 | Very low | 41.4 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | -139.4 | 94.1 | 164 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | V144 | V144-V146 HydrophobicContact CG1-CG2 4.02Š| ||
| 147 | N | 40.3 | Very low | 41.8 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 48.1 | 106.6 | 132.5 | -54.4 | -10.9 | 0 | 0 | 0 | 119.9 | ||||
| 148 | S | 38.5 | Very low | 41.5 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -89.2 | 149.9 | 143.9 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 149 | P | 52.2 | Low | 42.5 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -123.3 | 137.3 | 142.8 | 29.5 | -15.1 | 0 | 0 | 0 | 112.5 | ||||
| 150 | S | 38.4 | Very low | 42.4 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -37.3 | 151.4 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 151 | N | 44.4 | Very low | 43.3 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | -168.5 | 108.8 | 129.1 | -83.5 | -28.7 | 0 | 0 | 0 | 107.9 | |||||
| 152 | L | 44.6 | Very low | 43.7 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | 68.9 | 112.3 | 97.2 | -76.8 | 168.2 | 0 | 0 | 0 | 113.7 | |||||
| 153 | V | 48.2 | Very low | 43.8 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | 164.6 | 106.7 | 116.2 | 161.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 154 | N | 43.5 | Very low | 44.7 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 46.6 | 133.1 | 132.8 | -91.1 | -2.2 | 0 | 0 | 0 | 124.5 | ||||
| 155 | G | 42.7 | Very low | 44.8 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 108.7 | 128.8 | 134.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 156 | S | 45.7 | Very low | 45.7 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | 172.3 | 141.4 | -11.9 | 33 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 157 | K | 52.6 | Low | 45.7 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 148.4 | 151.1 | -66.5 | 174.8 | -176.1 | -173.8 | 0 | 118.3 | ||||
| 158 | C | 41.6 | Very low | 46.4 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 64% | 0.635 | 79% | 0.793 | S | S | * | * | cis | 176.4 | 166.6 | -9.6 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 159 | M | 54.2 | Low | 46.6 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 87 | 102.2 | 171.7 | -50.4 | -55.6 | 164.5 | 0 | 0 | 115.2 | ||||
| 160 | E | 41.4 | Very low | 46.7 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | cis | 75.5 | 110.1 | 39.9 | -163.8 | 163.5 | -168.3 | 0 | 0 | 115.7 | ||||
| 161 | S | 57.3 | Low | 46.9 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 155.6 | 140.7 | 146.5 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 162 | Q | 42.3 | Very low | 46.9 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -174.3 | 136.4 | -14.3 | 177.3 | -176.9 | 18.7 | 0 | 0 | 104.5 | ||||
| 163 | P | 39.7 | Very low | 46.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -104.4 | 151.6 | 175.1 | 35.5 | -26.3 | 0 | 0 | 0 | 112 | ||||
| 164 | Q | 54.4 | Low | 46.7 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -125.8 | 134.1 | 164.7 | -92.9 | -152.5 | -14.8 | 0 | 0 | 113.4 | ||||
| 165 | D | 41.7 | Very low | 46.7 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -53.9 | 153.8 | 173.3 | -94.2 | -56.7 | 0 | 0 | 0 | 115.7 | ||||
| 166 | T | 53.4 | Low | 46.7 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | -161.3 | 131 | 113.6 | 0.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 167 | R | 41.7 | Very low | 46.4 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 158.1 | 178 | -63.2 | 174.2 | -176.2 | -171.3 | -1.3 | 113.5 | ||||
| 168 | F | 55.3 | Low | 45.6 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -170.5 | 113.4 | 132.9 | -91.9 | -74.9 | 0 | 0 | 0 | 105.6 | ||||
| 169 | K | 44.4 | Very low | 45.4 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | 75.1 | 112.1 | 43.9 | -159.8 | 170.9 | -178 | -178.5 | 0 | 116.3 | ||||
| 170 | G | 54.3 | Low | 44.6 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | 153.4 | 90.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 171 | N | 41.8 | Very low | 44.8 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | 68.3 | 138.4 | 93.9 | -74.7 | 6 | 0 | 0 | 0 | 113.3 | |||||
| 172 | L | 44.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | cis | -165.9 | 152.4 | -1.8 | -110.9 | 147.5 | 0 | 0 | 0 | 106.3 | ||||
| 173 | D | 41.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 56 | 123.3 | 151.8 | -56.3 | -27.6 | 0 | 0 | 0 | 122 | ||||
| 174 | T | 45.9 | Very low | 43.4 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | 162.2 | 120.2 | 94.2 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 175 | S | 43.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | 41.3 | 123.8 | 149.7 | 76.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 176 | V | 42.6 | Very low | 42.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | 62.2 | 111.8 | 125.7 | -173.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 177 | S | 40.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | -175.3 | 134.5 | 109.1 | -77.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 178 | Q | 35.2 | Very low | 42.4 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -53.9 | 140.5 | 171.4 | -68.4 | 159.7 | -33.7 | 0 | 0 | 112.1 | ||||
| 179 | T | 38.6 | Very low | 41.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -145.8 | 105.5 | 146.1 | -42.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 180 | S | 37.5 | Very low | 42 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -67 | 126 | 167.5 | 21.6 | 0 | 0 | 0 | 0 | 110.2 | S182 | S180-S182 PolarHBondContact O-N 3.19Š| ||
| 181 | I | 44.3 | Very low | 41.6 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -92.8 | 96.5 | 168.6 | -54.1 | 176.2 | 0 | 0 | 0 | 107 | ||||
| 182 | S | 38.8 | Very low | 41.7 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -70.9 | 134.4 | 175.2 | -79.3 | 0 | 0 | 0 | 0 | 112.1 | S180 | S180-S182 PolarHBondContact O-N 3.19Š| ||
| 183 | T | 35.4 | Very low | 41.3 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -53.2 | 124.5 | 155.3 | 40.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | A | 35.8 | Very low | 41.8 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -177 | 112.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 185 | S | 40.7 | Very low | 41.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -126.6 | 115.9 | 152.4 | 65.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 186 | R | 43.3 | Very low | 41.8 | Very low | 250 Ų | 250 | 142.8 Ų | 142.8 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | trans | -72.6 | 142.1 | 172.7 | -90.1 | 169.1 | 146.7 | -174.9 | -6.9 | 109.9 | ||||
| 187 | S | 39 | Very low | 41.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -77.8 | -174.5 | 167.7 | 59 | 0 | 0 | 0 | 0 | 112 | ||||
| 188 | P | 48.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | -124.9 | 161.4 | -88.4 | 33.4 | -14.6 | 0 | 0 | 0 | 112.6 | |||||
| 189 | S | 44 | Very low | 43.1 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -149 | 121.6 | 170.6 | -166.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 190 | S | 46.5 | Very low | 44 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | trans | 55.8 | 120.1 | 146.9 | 68.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 191 | K | 45.3 | Very low | 44.9 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | 58.9 | 103.3 | 136.8 | -59.6 | 173.7 | -177.8 | 175.7 | 0 | 117.7 | ||||
| 192 | L | 44.6 | Very low | 45.9 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | -174.6 | 139.9 | 115.4 | -137.9 | 68.4 | 0 | 0 | 0 | 112.6 | |||||
| 193 | R | 36.3 | Very low | 47.3 | Very low | 246 Ų | 246 | 150.7 Ų | 150.7 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | trans | -67 | 110.4 | 179 | -171.2 | -173.8 | -79.8 | 159.6 | -11.2 | 110.5 | ||||
| 194 | V | 51.3 | Low | 49.4 | Very low | 134 Ų | 134 | 149 Ų | 149 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -145.1 | 135.8 | 167.4 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 195 | A | 46.6 | Very low | 51.7 | Low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 146.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | S197 | A195-S197 PolarHBondContact O-N 2.89Š| ||
| 196 | N | 43.9 | Very low | 53.9 | Low | 175 Ų | 175 | 145.6 Ų | 145.6 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -66.2 | 90.2 | 169.1 | -74.6 | -27.3 | 0 | 0 | 0 | 111.1 | ||||
| 197 | S | 43 | Very low | 55.9 | Low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -125.9 | 70.2 | 158.7 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | A195 R199 | A195-S197 PolarHBondContact O-N 2.89Å; S197-R199 PolarHBondContact O-N 2.99Å | ||
| 198 | M | 53.5 | Low | 58.4 | Low | 189 Ų | 189 | 134.2 Ų | 134.2 | 93% | 0.931 | 73% | 0.726 | S | S | * | * | trans | -75.9 | 94.5 | 178.6 | -158.5 | 166.8 | 160.1 | 0 | 0 | 109 | L200 | M198-L200 PolarHBondContact O-N 3.19Š| ||
| 199 | R | 49.2 | Very low | 60.4 | Low | 216 Ų | 216 | 133.2 Ų | 133.2 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | trans | -52.3 | 132.2 | 172.7 | -76.3 | 170.9 | 144.2 | 172.6 | -7.7 | 110.4 | S197 S201 | S197-R199 PolarHBondContact O-N 2.99Å; R199-S201 PolarHBondContact O-N 3.24Å | ||
| 200 | L | 57 | Low | 62.6 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 90% | 0.895 | 68% | 0.681 | S | S | * | * | trans | -67.6 | 48.4 | 172.9 | -63.5 | 169.4 | 0 | 0 | 0 | 112.7 | M198 K202 | M198-L200 PolarHBondContact O-N 3.19Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.3Å | ||
| 201 | S | 56.4 | Low | 64.6 | Low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 69% | 0.685 | S | S | * | * | trans | -86.3 | 6.9 | -170.9 | 60.6 | 0 | 0 | 0 | 0 | 115.2 | R199 | R199-S201 PolarHBondContact O-N 3.24Š| ||
| 202 | K | 64.8 | Low | 66.7 | Low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -136.4 | 69.6 | 179.8 | -63.9 | -174.8 | -178.4 | -179.2 | 0 | 111.2 | L200 K204 | L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.3Å; K202-K204 PolarHBondContact O-N 3.5Å | ||
| 203 | V | 67.9 | Low | 68.7 | Low | 135 Ų | 135 | 119.5 Ų | 119.5 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | -77.9 | 103.9 | 163 | -171 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 204 | K | 80.4 | Confident | 71 | Confident | 103 Ų | 103 | 109.8 Ų | 109.8 | 45% | 0.448 | 62% | 0.621 | S | S | . | * | trans | -66.5 | 141.1 | 172.3 | -70.8 | -171.8 | 170 | -139 | 0 | 109.2 | K202 E208 L209 | K202-K204 PolarHBondContact O-N 3.5Å; K204-E208 HydrophobicContact CB-CB 4.42Å; K204-E208 HydrophobicContact CD-CG 4.39Å; K204-E208 VanDerWaalsContact CD-OE1 3.3Å; K204-E208 WeakPolarHBondContact CD-OE1 3.45Å; K204-E208 WeakPolarHBondContact CE-OE1 3.49Å; K204-E208 WeakPolarHBondContact CG-OE2 3.46Å; K204-E208 IonicContact NZ-OE1 3.82Å; K204-E208 PolarHBondContact NZ-OE1 2.6Å; K204-L209 HydrophobicContact CB-CD2 4.04Å; K204-L209 HydrophobicContact CB-CG 4.09Å; K204-L209 HydrophobicContact CD-CD2 4.16Å | ||
| 205 | S | 83.8 | Confident | 72.7 | Confident | 76 Ų | 76 | 111.7 Ų | 111.7 | 53% | 0.531 | 63% | 0.627 | S | S | . | * | trans | -62 | 146.1 | 174 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | A207 E208 L209 | S205-A207 PolarHBondContact O-N 2.85Å; S205-A207 VanDerWaalsContact O-N 3.12Å; S205-E208 WeakPolarHBondContact O-CA 3.47Å; S205-E208 WeakPolarHBondContact O-CB 3.29Å; S205-E208 PolarHBondContact O-N 3.33Å; S205-L209 PolarHBondContact O-N 3.41Å | ||
| 206 | T | 86 | Confident | 74.7 | Confident | 81 Ų | 81 | 113 Ų | 113 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -51.7 | -36.4 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | E208 L209 V210 I225 | T206-E208 PolarHBondContact O-N 3.31Å; T206-L209 PolarHBondContact O-N 3.31Å; T206-V210 HydrophobicContact CG2-CG2 4.46Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.49Å; T206-V210 PolarHBondContact O-N 2.86Å; T206-I225 HydrophobicContact CG2-CG2 3.71Å |
| 207 | A | 87.1 | Confident | 76.8 | Confident | 38 Ų | 38 | 107 Ų | 107 | 31% | 0.314 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S205 V210 Q211 L226 | S205-A207 PolarHBondContact O-N 2.85Å; S205-A207 VanDerWaalsContact O-N 3.12Å; A207-V210 PolarHBondContact O-N 2.94Å; A207-Q211 WeakPolarHBondContact O-CB 3.44Å; A207-Q211 WeakPolarHBondContact O-CG 3.33Å; A207-Q211 PolarHBondContact O-N 3.15Å; A207-L226 HydrophobicContact CB-CD2 3.95Å |
| 208 | E | 90.1 | Very high | 79.2 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -35 | 177.5 | -164.3 | -167 | 154.9 | 0 | 0 | 111.1 | K204 S205 T206 A212 | K204-E208 HydrophobicContact CB-CB 4.42Å; K204-E208 HydrophobicContact CD-CG 4.39Å; K204-E208 VanDerWaalsContact CD-OE1 3.3Å; K204-E208 WeakPolarHBondContact CD-OE1 3.45Å; K204-E208 WeakPolarHBondContact CE-OE1 3.49Å; K204-E208 WeakPolarHBondContact CG-OE2 3.46Å; K204-E208 IonicContact NZ-OE1 3.82Å; K204-E208 PolarHBondContact NZ-OE1 2.6Å; S205-E208 WeakPolarHBondContact O-CA 3.47Å; S205-E208 WeakPolarHBondContact O-CB 3.29Å; S205-E208 PolarHBondContact O-N 3.33Å; T206-E208 PolarHBondContact O-N 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.08Å |
| 209 | L | 90.9 | Very high | 80.9 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -41.7 | 175.1 | -67.8 | 174.6 | 0 | 0 | 0 | 111.9 | K204 S205 T206 A212 A213 | K204-L209 HydrophobicContact CB-CD2 4.04Å; K204-L209 HydrophobicContact CB-CG 4.09Å; K204-L209 HydrophobicContact CD-CD2 4.16Å; S205-L209 PolarHBondContact O-N 3.41Å; T206-L209 PolarHBondContact O-N 3.31Å; L209-A212 PolarHBondContact O-N 3.06Å; L209-A213 PolarHBondContact O-N 3.03Å |
| 210 | V | 90.4 | Very high | 83 | Confident | 19 Ų | 19 | 96 Ų | 96 | 12% | 0.115 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -65.4 | -43.1 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | T206 A207 A213 A222 I225 L226 | T206-V210 HydrophobicContact CG2-CG2 4.46Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.49Å; T206-V210 PolarHBondContact O-N 2.86Å; A207-V210 PolarHBondContact O-N 2.94Å; V210-A213 PolarHBondContact O-N 2.98Å; V210-A222 HydrophobicContact CG1-CB 3.65Å; V210-I225 HydrophobicContact CG2-CB 4.29Å; V210-I225 HydrophobicContact CG2-CG2 3.7Å; V210-L226 HydrophobicContact CB-CD2 4.42Å; V210-L226 HydrophobicContact CG1-CD1 4.37Å; V210-L226 HydrophobicContact CG1-CG 4.41Å; V210-L226 HydrophobicContact CG2-CD2 4.37Å |
| 211 | Q | 89.3 | Confident | 84.6 | Confident | 156 Ų | 156 | 90.7 Ų | 90.7 | 73% | 0.729 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 174.1 | -74.8 | 177.4 | 6.4 | 0 | 0 | 112.6 | A207 A213 G214 | A207-Q211 WeakPolarHBondContact O-CB 3.44Å; A207-Q211 WeakPolarHBondContact O-CG 3.33Å; A207-Q211 PolarHBondContact O-N 3.15Å; Q211-A213 PolarHBondContact O-N 3.22Å; Q211-G214 PolarHBondContact O-N 3.1Å; Q211-G214 VanDerWaalsContact O-N 3.1Å |
| 212 | A | 88.9 | Confident | 86.3 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.9 | -22.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E208 L209 G214 | E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.08Å; L209-A212 PolarHBondContact O-N 3.06Å; A212-G214 VanDerWaalsContact C-N 3.29Å |
| 213 | A | 86.3 | Confident | 87.6 | Confident | 29 Ų | 29 | 82 Ų | 82 | 24% | 0.24 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -74.2 | -20.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L209 V210 Q211 D215 C216 I217 | L209-A213 PolarHBondContact O-N 3.03Å; V210-A213 PolarHBondContact O-N 2.98Å; Q211-A213 PolarHBondContact O-N 3.22Å; A213-D215 PolarHBondContact O-N 3.39Å; A213-C216 WeakPolarHBondContact O-CB 3.43Å; A213-C216 PolarHBondContact O-N 2.94Å; A213-C216 VanDerWaalsContact O-N 3.11Å; A213-C216 PolarHBondContact O-SG 3.05Å; A213-I217 HydrophobicContact CB-CD1 3.44Å; A213-I217 VanDerWaalsContact CB-CD1 3.44Å; A213-I217 HydrophobicContact CB-CG1 3.84Å |
| 214 | G | 84.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | 51.4 | -133.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q211 A212 C216 | Q211-G214 PolarHBondContact O-N 3.1Å; Q211-G214 VanDerWaalsContact O-N 3.1Å; A212-G214 VanDerWaalsContact C-N 3.29Å; G214-C216 PolarHBondContact O-N 2.57Å; G214-C216 VanDerWaalsContact O-N 3.08Å |
| 215 | D | 86.4 | Confident | 89.1 | Confident | 173 Ų | 173 | 77.8 Ų | 77.8 | 93% | 0.925 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -70.9 | 0.9 | -178 | -55.6 | -29.7 | 0 | 0 | 0 | 114.3 | A213 I217 | A213-D215 PolarHBondContact O-N 3.39Å; D215-I217 PolarHBondContact O-N 2.91Å |
| 216 | C | 89.1 | Confident | 89.4 | Confident | 120 Ų | 120 | 78.6 Ų | 78.6 | 81% | 0.811 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -75.1 | -12.1 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 112.8 | A213 G214 | A213-C216 WeakPolarHBondContact O-CB 3.43Å; A213-C216 PolarHBondContact O-N 2.94Å; A213-C216 VanDerWaalsContact O-N 3.11Å; A213-C216 PolarHBondContact O-SG 3.05Å; G214-C216 PolarHBondContact O-N 2.57Å; G214-C216 VanDerWaalsContact O-N 3.08Å |
| 217 | I | 88.5 | Confident | 89.7 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -125.7 | 125.3 | -180 | -53.8 | 177.3 | 0 | 0 | 0 | 107.5 | A213 D215 S219 T221 A222 | A213-I217 HydrophobicContact CB-CD1 3.44Å; A213-I217 VanDerWaalsContact CB-CD1 3.44Å; A213-I217 HydrophobicContact CB-CG1 3.84Å; D215-I217 PolarHBondContact O-N 2.91Å; I217-S219 PolarHBondContact O-N 2.97Å; I217-T221 HydrophobicContact CG2-CG2 3.67Å; I217-A222 HydrophobicContact CG2-CB 4.29Å |
| 218 | D | 91.5 | Very high | 89.6 | Confident | 100 Ų | 100 | 82.4 Ų | 82.4 | 54% | 0.535 | 47% | 0.473 | S | S | . | . | trans | -56.9 | 139.1 | 172.8 | 179.6 | 10.1 | 0 | 0 | 0 | 110.3 | V220 T221 A222 | D218-V220 PolarHBondContact O-N 2.89Å; D218-V220 VanDerWaalsContact O-N 3.1Å; D218-V220 PolarHBondContact OD1-N 3.46Å; D218-T221 CarbonylContact O-C 3.57Å; D218-T221 WeakPolarHBondContact O-CA 3.5Å; D218-T221 WeakPolarHBondContact O-CB 3.43Å; D218-T221 PolarHBondContact O-N 3.19Å; D218-A222 PolarHBondContact O-N 2.98Å | ||
| 219 | S | 91.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -43.2 | -41.2 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | I217 T221 A222 D223 | I217-S219 PolarHBondContact O-N 2.97Å; S219-T221 PolarHBondContact O-N 3.31Å; S219-A222 PolarHBondContact O-N 2.87Å; S219-D223 WeakPolarHBondContact O-CB 3.37Å; S219-D223 PolarHBondContact O-N 3.42Å |
| 220 | V | 91.2 | Very high | 88.3 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | D218 R224 | D218-V220 PolarHBondContact O-N 2.89Å; D218-V220 VanDerWaalsContact O-N 3.1Å; D218-V220 PolarHBondContact OD1-N 3.46Å; V220-R224 VanDerWaalsContact O-CG 3.25Å; V220-R224 WeakPolarHBondContact O-CG 3.46Å; V220-R224 PolarHBondContact O-N 3.07Å |
| 221 | T | 90.7 | Very high | 87 | Confident | 61 Ų | 61 | 90.9 Ų | 90.9 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.7 | -39.1 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | I217 D218 S219 D223 R224 I225 | I217-T221 HydrophobicContact CG2-CG2 3.67Å; D218-T221 CarbonylContact O-C 3.57Å; D218-T221 WeakPolarHBondContact O-CA 3.5Å; D218-T221 WeakPolarHBondContact O-CB 3.43Å; D218-T221 PolarHBondContact O-N 3.19Å; S219-T221 PolarHBondContact O-N 3.31Å; T221-D223 VanDerWaalsContact C-N 3.33Å; T221-D223 PolarHBondContact O-N 3.4Å; T221-R224 PolarHBondContact O-N 3.17Å; T221-I225 HydrophobicContact CG2-CD1 4.06Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.3Å |
| 222 | A | 92.1 | Very high | 86.1 | Confident | 18 Ų | 18 | 93 Ų | 93 | 15% | 0.149 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | V210 I217 D218 S219 I225 L226 | V210-A222 HydrophobicContact CG1-CB 3.65Å; I217-A222 HydrophobicContact CG2-CB 4.29Å; D218-A222 PolarHBondContact O-N 2.98Å; S219-A222 PolarHBondContact O-N 2.87Å; A222-I225 PolarHBondContact O-N 3Å; A222-L226 WeakPolarHBondContact O-CB 3.36Å; A222-L226 VanDerWaalsContact O-CG 3.25Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.43Å |
| 223 | D | 92.2 | Very high | 84.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.1 | -173.7 | 63.6 | 0 | 0 | 0 | 112.2 | S219 T221 I225 L226 T227 | S219-D223 WeakPolarHBondContact O-CB 3.37Å; S219-D223 PolarHBondContact O-N 3.42Å; T221-D223 VanDerWaalsContact C-N 3.33Å; T221-D223 PolarHBondContact O-N 3.4Å; D223-I225 VanDerWaalsContact C-N 3.3Å; D223-I225 PolarHBondContact O-N 2.81Å; D223-L226 PolarHBondContact O-N 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 WeakPolarHBondContact O-CG2 3.34Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.67Å |
| 224 | R | 91.2 | Very high | 84.1 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -38 | 176.1 | -72.6 | 175.5 | 77.7 | -173.9 | 7.5 | 112.9 | V220 T221 N228 R229 S231 | V220-R224 VanDerWaalsContact O-CG 3.25Å; V220-R224 WeakPolarHBondContact O-CG 3.46Å; V220-R224 PolarHBondContact O-N 3.07Å; T221-R224 PolarHBondContact O-N 3.17Å; R224-N228 PolarHBondContact O-N 3.45Å; R224-R229 PolarHBondContact NE-O 2.95Å; R224-R229 PolarHBondContact O-N 3.11Å; R224-S231 PolarHBondContact NH2-OG 2.9Å |
| 225 | I | 89.2 | Confident | 83 | Confident | 50 Ų | 50 | 107.2 Ų | 107.2 | 26% | 0.256 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.2 | -46.8 | 176 | -66.4 | 165.4 | 0 | 0 | 0 | 110.1 | T206 V210 T221 A222 D223 T227 N228 | T206-I225 HydrophobicContact CG2-CG2 3.71Å; V210-I225 HydrophobicContact CG2-CB 4.29Å; V210-I225 HydrophobicContact CG2-CG2 3.7Å; T221-I225 HydrophobicContact CG2-CD1 4.06Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.3Å; A222-I225 PolarHBondContact O-N 3Å; D223-I225 VanDerWaalsContact C-N 3.3Å; D223-I225 PolarHBondContact O-N 2.81Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; I225-N228 PolarHBondContact O-N 3.02Å |
| 226 | L | 91.2 | Very high | 82.3 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -31.5 | -179 | -68.5 | 173.5 | 0 | 0 | 0 | 112.8 | A207 V210 A222 D223 | A207-L226 HydrophobicContact CB-CD2 3.95Å; V210-L226 HydrophobicContact CB-CD2 4.42Å; V210-L226 HydrophobicContact CG1-CD1 4.37Å; V210-L226 HydrophobicContact CG1-CG 4.41Å; V210-L226 HydrophobicContact CG2-CD2 4.37Å; A222-L226 WeakPolarHBondContact O-CB 3.36Å; A222-L226 VanDerWaalsContact O-CG 3.25Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.43Å; D223-L226 PolarHBondContact O-N 3.31Å |
| 227 | T | 90.8 | Very high | 81.2 | Confident | 61 Ų | 61 | 103.5 Ų | 103.5 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | 2.4 | 179 | 60 | 0 | 0 | 0 | 0 | 114 | D223 I225 R229 | D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 WeakPolarHBondContact O-CG2 3.34Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.67Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; T227-R229 PolarHBondContact O-N 3.26Å; T227-R229 VanDerWaalsContact O-N 3.13Å; T227-R229 WeakPolarHBondContact OG1-CG 3.45Å |
| 228 | N | 85.6 | Confident | 79.5 | Confident | 137 Ų | 137 | 111.9 Ų | 111.9 | 73% | 0.733 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.2 | 27.3 | -172.7 | -69.8 | -56.7 | 0 | 0 | 0 | 113.8 | R224 I225 I230 | R224-N228 PolarHBondContact O-N 3.45Å; I225-N228 PolarHBondContact O-N 3.02Å; N228-I230 PolarHBondContact O-N 3.28Å |
| 229 | R | 83.3 | Confident | 77.7 | Confident | 185 Ų | 185 | 113.6 Ų | 113.6 | 70% | 0.698 | 60% | 0.596 | S | S | * | * | trans | -87.9 | 40.3 | 175.2 | -69.9 | -177.3 | 171.6 | -173.8 | -0.9 | 111.9 | R224 T227 S231 | R224-R229 PolarHBondContact NE-O 2.95Å; R224-R229 PolarHBondContact O-N 3.11Å; T227-R229 PolarHBondContact O-N 3.26Å; T227-R229 VanDerWaalsContact O-N 3.13Å; T227-R229 WeakPolarHBondContact OG1-CG 3.45Å; R229-S231 PolarHBondContact O-N 3.27Å | ||
| 230 | I | 70.5 | Confident | 75.3 | Confident | 114 Ų | 114 | 115.3 Ų | 115.3 | 59% | 0.585 | 61% | 0.606 | S | S | * | * | trans | -72.5 | 112.7 | 168.4 | -47.7 | 173.1 | 0 | 0 | 0 | 104.7 | N228 K232 | N228-I230 PolarHBondContact O-N 3.28Å; I230-K232 PolarHBondContact O-N 3.29Å | ||
| 231 | S | 64 | Low | 72.9 | Confident | 81 Ų | 81 | 115.6 Ų | 115.6 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | trans | -53.7 | 117.4 | 175.2 | 32.3 | 0 | 0 | 0 | 0 | 106.8 | R224 R229 E233 | R224-S231 PolarHBondContact NH2-OG 2.9Å; R229-S231 PolarHBondContact O-N 3.27Å; S231-E233 PolarHBondContact O-N 3.34Å | ||
| 232 | K | 68.9 | Low | 70.9 | Confident | 200 Ų | 200 | 120.8 Ų | 120.8 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | trans | -64.2 | 91.3 | 171.7 | -66.5 | -174.3 | -179.7 | -177.3 | 0 | 106 | I230 V234 | I230-K232 PolarHBondContact O-N 3.29Å; K232-V234 PolarHBondContact O-N 3.16Å; K232-V234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | E | 65.3 | Low | 68.7 | Low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -55.9 | 119.1 | 168.5 | -166.7 | 171.5 | -176.3 | 0 | 0 | 105.9 | S231 D235 | S231-E233 PolarHBondContact O-N 3.34Å; E233-D235 PolarHBondContact O-N 3.04Å | ||
| 234 | V | 68.1 | Low | 66.5 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -65.3 | 109.8 | -179.5 | 174.6 | 0 | 0 | 0 | 0 | 105.8 | K232 P236 | K232-V234 PolarHBondContact O-N 3.16Å; K232-V234 VanDerWaalsContact O-N 3.12Å; V234-P236 WeakPolarHBondContact O-CD 3.33Å; V234-P236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | D | 62.4 | Low | 64.6 | Low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 117.9 | 175.9 | -156.9 | 14.9 | 0 | 0 | 0 | 107.8 | E233 | E233-D235 PolarHBondContact O-N 3.04Š|
| 236 | P | 70.4 | Confident | 62.4 | Low | 97 Ų | 97 | 136.7 Ų | 136.7 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.5 | -176.8 | 22.1 | -30.6 | 0 | 0 | 0 | 109.2 | V234 R238 | V234-P236 WeakPolarHBondContact O-CD 3.33Å; V234-P236 VanDerWaalsContact O-N 3.13Å; P236-R238 PolarHBondContact O-N 3.32Å; P236-R238 VanDerWaalsContact O-N 3.1Å |
| 237 | P | 66.4 | Low | 60.7 | Low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 121.1 | -178.5 | 21.7 | -30.8 | 0 | 0 | 0 | 109.6 | V239 | P237-V239 PolarHBondContact O-N 3.13Š|
| 238 | R | 54.5 | Low | 58.6 | Low | 225 Ų | 225 | 144.8 Ų | 144.8 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 116.8 | 174 | -74.2 | -176.1 | -178.8 | 147.7 | 2.4 | 109.2 | P236 C240 | P236-R238 PolarHBondContact O-N 3.32Å; P236-R238 VanDerWaalsContact O-N 3.1Å; R238-C240 VanDerWaalsContact C-N 3.31Å; R238-C240 PolarHBondContact O-N 3.39Å |
| 239 | V | 52.2 | Low | 56.2 | Low | 136 Ų | 136 | 149.3 Ų | 149.3 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -72.1 | 90.9 | 170.7 | -163.9 | 0 | 0 | 0 | 0 | 107.2 | P237 S241 | P237-V239 PolarHBondContact O-N 3.13Å; V239-S241 PolarHBondContact O-N 3.36Å; V239-S241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | C | 42.1 | Very low | 54.3 | Low | 124 Ų | 124 | 147.3 Ų | 147.3 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -72.1 | 94.9 | 163.7 | -72.9 | 0 | 0 | 0 | 0 | 107.6 | R238 | R238-C240 VanDerWaalsContact C-N 3.31Å; R238-C240 PolarHBondContact O-N 3.39Å | ||
| 241 | S | 40.7 | Very low | 52.9 | Low | 93 Ų | 93 | 146.4 Ų | 146.4 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -139.8 | 89.7 | 167.7 | -162.1 | 0 | 0 | 0 | 0 | 109.7 | V239 | V239-S241 PolarHBondContact O-N 3.36Å; V239-S241 VanDerWaalsContact O-N 3.13Å | ||
| 242 | I | 47 | Very low | 51.8 | Low | 171 Ų | 171 | 153.9 Ų | 153.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -140.5 | 119.4 | 143.9 | -107.2 | 164.2 | 0 | 0 | 0 | 106.7 | ||||
| 243 | M | 46.7 | Very low | 50.4 | Low | 170 Ų | 170 | 149.5 Ų | 149.5 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 130.4 | -175.7 | -66.6 | 177 | 61.6 | 0 | 0 | 110.6 | ||||
| 244 | Q | 45.4 | Very low | 49.4 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 131.3 | 158.3 | -71.2 | -166.8 | -36.8 | 0 | 0 | 109.2 | T246 | Q244-T246 PolarHBondContact O-N 3.49Š| ||
| 245 | P | 52.6 | Low | 48.2 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 104.8 | 168.3 | 28.3 | -29.3 | 0 | 0 | 0 | 110 | K247 | P245-K247 PolarHBondContact O-N 2.84Š| ||
| 246 | T | 42.1 | Very low | 47.1 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 105.6 | 164.6 | -46.7 | 0 | 0 | 0 | 0 | 109.4 | Q244 T248 | Q244-T246 PolarHBondContact O-N 3.49Å; T246-T248 HydrophobicContact CG2-CG2 4.28Å; T246-T248 PolarHBondContact O-N 3.3Å | ||
| 247 | K | 54.8 | Low | 45.9 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 106.3 | 164.2 | -84.8 | -178.7 | 174.1 | 174 | 0 | 109.2 | P245 | P245-K247 PolarHBondContact O-N 2.84Š| ||
| 248 | T | 46.7 | Very low | 45.1 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -99.7 | 148.3 | 166.8 | 34 | 0 | 0 | 0 | 0 | 110.8 | T246 | T246-T248 HydrophobicContact CG2-CG2 4.28Å; T246-T248 PolarHBondContact O-N 3.3Å | ||
| 249 | R | 37 | Very low | 44.5 | Very low | 232 Ų | 232 | 143.2 Ų | 143.2 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | 70.6 | 144.1 | 159.9 | -78.3 | -179.5 | 144.1 | -173.9 | -4.3 | 115.8 | ||||
| 250 | L | 43.1 | Very low | 44.4 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | cis | -158.5 | 144.1 | 27.1 | -153.9 | 82.7 | 0 | 0 | 0 | 108.6 | ||||
| 251 | A | 39.5 | Very low | 45 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 152.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 252 | R | 42.1 | Very low | 45.5 | Very low | 238 Ų | 238 | 146.4 Ų | 146.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 106.5 | 157.8 | -141.9 | 174.8 | 178.6 | 166.6 | -0.5 | 111.1 | ||||
| 253 | T | 39 | Very low | 45.4 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | 38.2 | 127.8 | 141.9 | 64 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 254 | N | 45.4 | Very low | 45.3 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | -169.7 | 122 | 109.2 | -89 | -14.4 | 0 | 0 | 0 | 113.7 | |||||
| 255 | S | 41.6 | Very low | 45.1 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 44.7 | 128.9 | 141.4 | 62.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 256 | G | 40.8 | Very low | 44.5 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 141.3 | 70.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 257 | S | 44.2 | Very low | 44.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 96.1 | 124.4 | 96.8 | -68.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 258 | Q | 49.1 | Very low | 44.3 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | 101.5 | 113.7 | 151.2 | -46.7 | -153.3 | -0.2 | 0 | 0 | 120.4 | ||||
| 259 | S | 42.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 66.6 | 135.4 | 145.6 | -71.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 260 | S | 50.1 | Low | 44.7 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -172.3 | 136.4 | 7.2 | 174 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 261 | S | 55.2 | Low | 44.9 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 39.9 | 138.1 | 145 | 116.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 262 | R | 49.5 | Very low | 45 | Very low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | cis | -166.4 | 136.1 | 28.6 | -105.4 | 171.2 | -165.9 | 179.1 | 4.5 | 106.2 | ||||
| 263 | C | 44.9 | Very low | 45.2 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | 56.2 | 135.3 | 105.9 | -58.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 264 | V | 45.5 | Very low | 44.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | cis | -172.6 | 145.4 | 19.7 | 130.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 265 | S | 40.2 | Very low | 45.5 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 46.2 | 126.9 | 145.5 | -54.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 266 | A | 41.6 | Very low | 45.5 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | 58.7 | 120.7 | 122 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 267 | N | 48.5 | Very low | 45.7 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | -164.3 | 148 | 111.4 | -153.7 | 0.5 | 0 | 0 | 0 | 111.6 | |||||
| 268 | N | 44.2 | Very low | 45.2 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 150.4 | 171.4 | -60.6 | -34.7 | 0 | 0 | 0 | 110.3 | ||||
| 269 | N | 48.2 | Very low | 44.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -161.8 | 132.6 | 137.5 | -112.4 | -4.9 | 0 | 0 | 0 | 111.8 | ||||
| 270 | E | 43.9 | Very low | 44.6 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 153.4 | 164.5 | -59.8 | 177.4 | 125.5 | 0 | 0 | 110.5 | ||||
| 271 | N | 46.5 | Very low | 44.4 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -172.7 | 110.4 | 140.6 | -105.7 | 38.4 | 0 | 0 | 0 | 110.2 | ||||
| 272 | S | 41.4 | Very low | 43.6 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | trans | 14.8 | 131.3 | 140.4 | 55.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 273 | H | 45.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | -178 | 114.3 | 116.8 | -91.5 | -61.8 | 0 | 0 | 0 | 111.2 | |||||
| 274 | S | 34.1 | Very low | 43.7 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -106.6 | 144.9 | 162 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 275 | P | 57.6 | Low | 43.9 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -103 | 130.9 | 154.6 | 32.3 | -21.4 | 0 | 0 | 0 | 110.7 | ||||
| 276 | K | 40.7 | Very low | 44 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -113.6 | 122.2 | 177.6 | -168.4 | 176.6 | -170.7 | 174.7 | 0 | 105.9 | ||||
| 277 | C | 45.4 | Very low | 43.9 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -139.2 | 114.7 | 163.8 | -86.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 278 | N | 34 | Very low | 43.5 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -90.6 | 156.3 | 171.8 | -63 | -24.8 | 0 | 0 | 0 | 110 | ||||
| 279 | S | 36.9 | Very low | 43.5 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 162.4 | 95.4 | 137.5 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 280 | I | 41.7 | Very low | 43.2 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 56.3 | 104.4 | 94.7 | -55.3 | 171.2 | 0 | 0 | 0 | 112.9 | |||||
| 281 | L | 47.4 | Very low | 43 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -153.7 | 99.2 | 142.7 | -119.1 | 152.3 | 0 | 0 | 0 | 108.2 | ||||
| 282 | D | 37.9 | Very low | 42.7 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -61.4 | 128.8 | 167.4 | -92.3 | -43.4 | 0 | 0 | 0 | 110.7 | ||||
| 283 | I | 51.2 | Low | 42.7 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -138 | 111.4 | 153.3 | -53.6 | 179.1 | 0 | 0 | 0 | 107.9 | ||||
| 284 | K | 45.9 | Very low | 42.5 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | trans | -21.9 | 140.2 | 169.9 | -88.4 | 177.4 | 158.8 | -166.8 | 0 | 117.2 | E286 | K284-E286 WeakPolarHBondContact CE-OE2 3.47Å; K284-E286 VanDerWaalsContact NZ-CD 3.27Å; K284-E286 IonicContact NZ-OE1 2.69Å; K284-E286 PolarHBondContact NZ-OE1 3.27Å; K284-E286 VanDerWaalsContact NZ-OE1 3.12Å; K284-E286 IonicContact NZ-OE2 2.72Å; K284-E286 PolarHBondContact NZ-OE2 3.16Å | ||
| 285 | P | 48 | Very low | 43.3 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -101.8 | 115 | 142.3 | 33.2 | -20.9 | 0 | 0 | 0 | 109.9 | ||||
| 286 | E | 42.7 | Very low | 42.7 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | trans | -132.7 | 118.4 | 171.7 | -155.9 | 167.4 | -142.2 | 0 | 0 | 101.8 | K284 | K284-E286 WeakPolarHBondContact CE-OE2 3.47Å; K284-E286 VanDerWaalsContact NZ-CD 3.27Å; K284-E286 IonicContact NZ-OE1 2.69Å; K284-E286 PolarHBondContact NZ-OE1 3.27Å; K284-E286 VanDerWaalsContact NZ-OE1 3.12Å; K284-E286 IonicContact NZ-OE2 2.72Å; K284-E286 PolarHBondContact NZ-OE2 3.16Å | ||
| 287 | T | 39.5 | Very low | 42.8 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -168.8 | 134.3 | 50.1 | -32.1 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 288 | Y | 40.9 | Very low | 43 | Very low | 229 Ų | 229 | 151.2 Ų | 151.2 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 128 | 163.7 | -102 | -107 | 0 | 0 | 0 | 108.9 | ||||
| 289 | L | 44.9 | Very low | 43.6 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -104.6 | 92.2 | 164.8 | -122.2 | 155.4 | 0 | 0 | 0 | 107.4 | C291 | L289-C291 PolarHBondContact O-N 3.27Š| ||
| 290 | E | 41.9 | Very low | 44 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -73 | 97.8 | 169.2 | -173.9 | 178.7 | 177 | 0 | 0 | 108.2 | R292 | E290-R292 HydrophobicContact CG-CB 4.35Å; E290-R292 PolarHBondContact O-N 2.84Å | ||
| 291 | C | 38 | Very low | 43.9 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -81 | 91.2 | 167.4 | -75.3 | 0 | 0 | 0 | 0 | 108.8 | L289 | L289-C291 PolarHBondContact O-N 3.27Š| ||
| 292 | R | 41.6 | Very low | 43.8 | Very low | 216 Ų | 216 | 156 Ų | 156 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -124.3 | 97 | 167.5 | -156.9 | -174 | -161.5 | -110 | 3.2 | 108.4 | E290 | E290-R292 HydrophobicContact CG-CB 4.35Å; E290-R292 PolarHBondContact O-N 2.84Å | ||
| 293 | E | 40.4 | Very low | 43.7 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 105.5 | 163.3 | -149.1 | 168.3 | -176.5 | 0 | 0 | 113.5 | ||||
| 294 | N | 42.9 | Very low | 43.6 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 44.8 | 120.5 | 142.9 | -59.1 | -33.9 | 0 | 0 | 0 | 121.3 | ||||
| 295 | P | 49.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -79.7 | 115.3 | 147.7 | 31.4 | -24.6 | 0 | 0 | 0 | 109.1 | V297 | P295-V297 PolarHBondContact O-N 3.17Š| ||
| 296 | A | 44.5 | Very low | 43.3 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -63 | 120.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y298 | A296-Y298 PolarHBondContact O-N 3.32Š| ||
| 297 | V | 43.4 | Very low | 43.2 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 116 | 166.7 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | P295 | P295-V297 PolarHBondContact O-N 3.17Š| ||
| 298 | Y | 49.8 | Very low | 43.3 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -108.6 | 123.5 | 156.6 | -102 | -86.5 | 0 | 0 | 0 | 109.7 | A296 | A296-Y298 PolarHBondContact O-N 3.32Š| ||
| 299 | E | 45.5 | Very low | 43.6 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 154.9 | -177.4 | -151.3 | -167.5 | -146.2 | 0 | 0 | 111.9 | ||||
| 300 | K | 46.6 | Very low | 43.6 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 95.5 | 100.8 | 136.2 | -144.2 | 170.3 | -159.6 | 152 | 0 | 118.9 | ||||
| 301 | G | 40 | Very low | 43.8 | Very low | 65 Ų | 65 | 152.8 Ų | 152.8 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | 118.6 | 103.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 302 | R | 45.1 | Very low | 44 | Very low | 250 Ų | 250 | 152.9 Ų | 152.9 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | 174 | 119.3 | 113.6 | -90.7 | 167.7 | -158.7 | -134.8 | 6.5 | 109.8 | |||||
| 303 | N | 36.1 | Very low | 44.2 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -66.3 | 134.9 | 162.7 | -63.4 | -36.8 | 0 | 0 | 0 | 109 | ||||
| 304 | L | 49.2 | Very low | 44.2 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -152.7 | 110.8 | 147.5 | -103.2 | 155.8 | 0 | 0 | 0 | 108.3 | ||||
| 305 | T | 40.8 | Very low | 44.1 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -44.2 | 139 | 164.1 | 41.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 306 | S | 44.9 | Very low | 43.5 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 168 | 120.7 | 118.4 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 307 | D | 40.9 | Very low | 43.1 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 44.5 | 112.1 | 132.6 | -88.2 | -23.5 | 0 | 0 | 0 | 121.7 | ||||
| 308 | S | 41.5 | Very low | 42.8 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 138 | 147.7 | 97.9 | 72.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 309 | V | 48.9 | Very low | 42.1 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 82.2 | 90.7 | 160.2 | -162.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 310 | K | 44.3 | Very low | 41.7 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -52.8 | 128.5 | 147.6 | -72.7 | 173.3 | 173.7 | 176.5 | 0 | 110.7 | ||||
| 311 | K | 45 | Very low | 41.4 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -123.8 | 104.6 | 151.3 | -108 | -178.5 | 179.3 | 179.3 | 0 | 108.8 | ||||
| 312 | V | 43.9 | Very low | 41.2 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 125.9 | 164.6 | 172.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 313 | I | 44.4 | Very low | 41.1 | Very low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -116.8 | 125.2 | 160.9 | -62 | 179.1 | 0 | 0 | 0 | 106.5 | ||||
| 314 | P | 40.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 147.4 | -179.1 | 31.2 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 315 | S | 39.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -54.3 | 131.8 | 168.7 | 14.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 316 | V | 38.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -90.4 | 108.9 | 170.7 | 176 | 0 | 0 | 0 | 0 | 108.1 | V318 | V316-V318 HydrophobicContact CG1-CG2 3.86Š| ||
| 317 | N | 34.5 | Very low | 40.2 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -96.9 | 117.7 | 157.8 | -92.6 | -7 | 0 | 0 | 0 | 107.2 | ||||
| 318 | V | 38.6 | Very low | 39.7 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -139 | 108.7 | 165.1 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | V316 | V316-V318 HydrophobicContact CG1-CG2 3.86Š| ||
| 319 | S | 34.5 | Very low | 39.7 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 100.1 | 141.3 | -51.2 | 0 | 0 | 0 | 0 | 120.3 | I321 | S319-I321 PolarHBondContact O-N 2.67Š| ||
| 320 | S | 36.5 | Very low | 39.2 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -54.7 | 125.3 | 141.2 | -79.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 321 | I | 40.2 | Very low | 38.8 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -116.2 | 104 | 162.9 | -45.5 | 175.9 | 0 | 0 | 0 | 106.7 | S319 | S319-I321 PolarHBondContact O-N 2.67Š| ||
| 322 | N | 37.1 | Very low | 38.6 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | trans | -66 | 129.1 | 164.6 | 176.9 | 21.7 | 0 | 0 | 0 | 108.7 | ||||
| 323 | N | 41.9 | Very low | 38.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -149.7 | 101.9 | 155.4 | -87 | -34.6 | 0 | 0 | 0 | 108.6 | ||||
| 324 | Q | 41.5 | Very low | 38.4 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -74.1 | 148.9 | 160.8 | -63.4 | -172.2 | 10 | 0 | 0 | 110 | ||||
| 325 | G | 33.6 | Very low | 38.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 161.9 | 101.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 326 | P | 38.6 | Very low | 38.6 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -91.1 | 160.3 | 169.2 | 36.6 | -29.9 | 0 | 0 | 0 | 111.1 | ||||
| 327 | L | 39 | Very low | 38.6 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 156.7 | 108.1 | 155.8 | -85.5 | 156.1 | 0 | 0 | 0 | 106.8 | ||||
| 328 | S | 29.9 | Very low | 39 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | 66.2 | 152.1 | 86.9 | -165.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 329 | Y | 41.1 | Very low | 39 | Very low | 201 Ų | 201 | 139.8 Ų | 139.8 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | 90.1 | 130 | -168.5 | -55.1 | -67.1 | 0 | 0 | 0 | 113.4 | ||||
| 330 | N | 39.1 | Very low | 39.3 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | cis | -163.1 | 151.3 | 0.4 | -98.9 | -27.9 | 0 | 0 | 0 | 109.4 | ||||
| 331 | S | 36.7 | Very low | 39.7 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -82.8 | 148.8 | 170.1 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 332 | E | 41.3 | Very low | 39.6 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 168.9 | 117.9 | 137.2 | -96.4 | 176.3 | 156.7 | 0 | 0 | 108.8 | ||||
| 333 | N | 39.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | 93.5 | 155.7 | 69.8 | -122.5 | -11.9 | 0 | 0 | 0 | 113.7 | |||||
| 334 | I | 43.4 | Very low | 40.4 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 108 | 93.2 | 173.8 | -50.7 | 155.6 | 0 | 0 | 0 | 112.5 | ||||
| 335 | S | 43.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | 59 | 135.9 | 82.7 | -109.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 336 | D | 41.9 | Very low | 41.2 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | cis | -174 | 138.9 | 37.4 | -105 | -18.4 | 0 | 0 | 0 | 106.9 | ||||
| 337 | R | 39 | Very low | 41.3 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | 95.4 | 119 | 77.1 | -160.5 | -177.3 | -169 | -160.2 | 4.5 | 114.2 | |||||
| 338 | L | 42.3 | Very low | 41.7 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -170.4 | 90.6 | 150.1 | -100.8 | 166.7 | 0 | 0 | 0 | 107.7 | ||||
| 339 | V | 39.1 | Very low | 42.5 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | 93.5 | 121.1 | 79.9 | 171.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 340 | L | 39.5 | Very low | 42.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 162.2 | -178.3 | -73.9 | 82.6 | 0 | 0 | 0 | 115.5 | ||||
| 341 | K | 46.8 | Very low | 42.5 | Very low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | -166.4 | 114.2 | 120.8 | -111.8 | 170.8 | 178.4 | 178 | 0 | 113.1 | |||||
| 342 | D | 37.9 | Very low | 42.9 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -89 | 148.6 | 160.8 | -79.9 | -46.1 | 0 | 0 | 0 | 110.4 | ||||
| 343 | V | 52.1 | Low | 43 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -132.8 | 128.5 | 163.6 | 172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 344 | E | 42.7 | Very low | 43.4 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 167.3 | -169.2 | -167.8 | -179.5 | 178.2 | 0 | 0 | 113.2 | ||||
| 345 | N | 48.9 | Very low | 43.7 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 136.1 | 104.5 | 145.8 | -64.6 | -35.2 | 0 | 0 | 0 | 112.4 | ||||
| 346 | N | 42.5 | Very low | 44.2 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | 65.1 | 134.9 | 83.2 | -68 | -27.8 | 0 | 0 | 0 | 112.4 | |||||
| 347 | T | 41.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | cis | -177.4 | 144.5 | 17.8 | 6.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | V | 47.3 | Very low | 45.4 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | 48.1 | 123.5 | 130.1 | -177.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 349 | S | 46.6 | Very low | 46 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 174.2 | 166.7 | 77.8 | 24.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 350 | N | 38.5 | Very low | 46.8 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -109.5 | 148.8 | -164.6 | -172.4 | 3.7 | 0 | 0 | 0 | 111.4 | ||||
| 351 | A | 42.4 | Very low | 47.7 | Very low | 85 Ų | 85 | 157.4 Ų | 157.4 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | 152.1 | 133.4 | 133.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 352 | Q | 43.7 | Very low | 47.8 | Very low | 170 Ų | 170 | 156 Ų | 156 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 108.4 | 138.3 | -91.5 | -177.6 | -21.2 | 0 | 0 | 125.2 | ||||
| 353 | K | 43.8 | Very low | 48.3 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 46.7 | 133.9 | 119.5 | -73.5 | -178.1 | 176.8 | 174.4 | 0 | 121.5 | |||||
| 354 | V | 48.6 | Very low | 48.3 | Very low | 134 Ų | 134 | 159 Ų | 159 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | 159.4 | 104.3 | 129.6 | 162.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 355 | K | 49.4 | Very low | 48.6 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | 86.2 | 133.1 | 85 | -103.2 | -174.6 | -172.8 | 177.3 | 0 | 116.5 | |||||
| 356 | K | 55.1 | Low | 48.4 | Very low | 191 Ų | 191 | 160.4 Ų | 160.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 87 | 147.9 | 156.1 | -64.3 | 172.9 | 178.8 | 179 | 0 | 117.4 | ||||
| 357 | K | 51.8 | Low | 48.6 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | cis | 165.9 | 136.3 | -22.3 | -116.7 | -170.5 | 179.5 | -177.6 | 0 | 105.3 | ||||
| 358 | K | 54.3 | Low | 49 | Very low | 207 Ų | 207 | 162.4 Ų | 162.4 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | 140.5 | 155.7 | 153.1 | -88.6 | 177.4 | 170.9 | 179.7 | 0 | 110.8 | ||||
| 359 | K | 54.5 | Low | 49.1 | Very low | 167 Ų | 167 | 163.9 Ų | 163.9 | 73% | 0.726 | 81% | 0.808 | S | S | * | * | 178.4 | 152.2 | -56.1 | -104.2 | -152.7 | 179.3 | -172 | 0 | 105.5 | |||||
| 360 | H | 55.9 | Low | 49.1 | Very low | 164 Ų | 164 | 165.2 Ų | 165.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 83.9 | 146.2 | 163.9 | -49 | -67 | 0 | 0 | 0 | 116.4 | ||||
| 361 | K | 57.5 | Low | 49.4 | Very low | 192 Ų | 192 | 164.7 Ų | 164.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | cis | -164.4 | 159.4 | 13.7 | -144.1 | 172.1 | 176.7 | -176.6 | 0 | 110.2 | ||||
| 362 | H | 48.3 | Very low | 49.5 | Very low | 173 Ų | 173 | 165.8 Ų | 165.8 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -71 | 159.9 | 176.2 | -74.6 | -101.5 | 0 | 0 | 0 | 114.9 | ||||
| 363 | H | 50.1 | Low | 49.7 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | -167.3 | 162.2 | 120.6 | -104.9 | -75.6 | 0 | 0 | 0 | 112.2 | |||||
| 364 | K | 50.5 | Low | 49.6 | Very low | 176 Ų | 176 | 164.8 Ų | 164.8 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -122.3 | 177.5 | -155.8 | -162.6 | -171.8 | 175.1 | -164.6 | 0 | 109.4 | ||||
| 365 | D | 49.7 | Very low | 49.4 | Very low | 121 Ų | 121 | 165.6 Ų | 165.6 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | trans | 98.4 | 107.3 | 161.3 | -46.1 | -29.5 | 0 | 0 | 0 | 114 | ||||
| 366 | E | 44.1 | Very low | 49.3 | Very low | 192 Ų | 192 | 166.4 Ų | 166.4 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | 81 | 110 | 65.4 | -160.1 | 179.3 | -123 | 0 | 0 | 112.5 | |||||
| 367 | A | 46.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 162 Ų | 162 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 178 | 133.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 368 | E | 49.8 | Very low | 48.2 | Very low | 182 Ų | 182 | 159.1 Ų | 159.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 161 | 176 | -62 | 169 | 133 | 0 | 0 | 113.5 | ||||
| 369 | I | 49.8 | Very low | 48 | Very low | 155 Ų | 155 | 157.7 Ų | 157.7 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | 168.5 | 116.3 | 131 | -81.6 | 153.7 | 0 | 0 | 0 | 110.3 | ||||
| 370 | L | 46.2 | Very low | 47.7 | Very low | 148 Ų | 148 | 157.3 Ų | 157.3 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 37.4 | 126.3 | 144 | -81.1 | 103.1 | 0 | 0 | 0 | 124.6 | ||||
| 371 | D | 45.9 | Very low | 47.3 | Very low | 148 Ų | 148 | 158.8 Ų | 158.8 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 74 | 147.9 | 130.4 | -105 | 11.3 | 0 | 0 | 0 | 122.5 | ||||
| 372 | P | 45.2 | Very low | 46.6 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 129.7 | -139.3 | 32.7 | -12.8 | 0 | 0 | 0 | 111.5 | ||||
| 373 | S | 46.2 | Very low | 46.4 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -155.8 | 134.9 | 160.6 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 374 | R | 42.2 | Very low | 46.2 | Very low | 229 Ų | 229 | 154.9 Ų | 154.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 75.2 | 107 | 153 | -67.7 | 171.6 | 178.4 | -155.6 | -1.3 | 117.8 | ||||
| 375 | L | 45.1 | Very low | 46.6 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 41.7 | 111.2 | 125.9 | -65.7 | 164.4 | 0 | 0 | 0 | 116 | |||||
| 376 | H | 46.2 | Very low | 46.6 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | -169.9 | 128.3 | 125 | -91.2 | -63.4 | 0 | 0 | 0 | 109 | |||||
| 377 | S | 41.3 | Very low | 47.1 | Very low | 98 Ų | 98 | 157.4 Ų | 157.4 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -71.2 | 140.4 | 172.8 | 76.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 378 | N | 42.7 | Very low | 47.4 | Very low | 136 Ų | 136 | 159.2 Ų | 159.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 157.4 | 139.5 | 127 | -74.6 | -18.5 | 0 | 0 | 0 | 110.8 | |||||
| 379 | Q | 51.1 | Low | 47.7 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 73.1 | 111.7 | 164.3 | -53.3 | -163.5 | 49.4 | 0 | 0 | 117.7 | ||||
| 380 | L | 48.7 | Very low | 48.3 | Very low | 159 Ų | 159 | 156.2 Ų | 156.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | 179.6 | 95.6 | 123.5 | -90.7 | 156.9 | 0 | 0 | 0 | 106.4 | |||||
| 381 | K | 46.6 | Very low | 49 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 62 | 111 | 101.2 | -87.3 | -179 | 175.6 | 170.6 | 0 | 113.9 | |||||
| 382 | G | 42.2 | Very low | 49.5 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 121 | 72.3 | 131.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 383 | H | 44.7 | Very low | 49.9 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 73% | 0.731 | 79% | 0.789 | S | S | * | * | trans | -150 | 95.1 | 145 | -142 | 32.9 | 0 | 0 | 0 | 111.4 | R385 | H383-R385 PolarHBondContact O-N 2.87Š| ||
| 384 | R | 45.4 | Very low | 50.4 | Low | 238 Ų | 238 | 150.4 Ų | 150.4 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 109.2 | 167.3 | -84.2 | -171.5 | 170.5 | -167.4 | -2.3 | 108.3 | ||||
| 385 | R | 59.1 | Low | 51.2 | Low | 207 Ų | 207 | 145.5 Ų | 145.5 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -106.6 | 112.1 | 157.8 | -72.4 | -171.5 | 179.9 | -179.9 | 0.9 | 107.6 | H383 K387 | H383-R385 PolarHBondContact O-N 2.87Å; R385-K387 VanDerWaalsContact C-N 3.3Å; R385-K387 PolarHBondContact O-N 3.13Å | ||
| 386 | N | 49.6 | Very low | 51.9 | Low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -64.6 | 93.3 | 170.6 | -58.5 | -21.2 | 0 | 0 | 0 | 107.4 | ||||
| 387 | K | 55.7 | Low | 52.7 | Low | 183 Ų | 183 | 141.7 Ų | 141.7 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -86.2 | 109.6 | 167.6 | -120.8 | 177.5 | 178 | -177 | 0 | 105.8 | R385 V389 | R385-K387 VanDerWaalsContact C-N 3.3Å; R385-K387 PolarHBondContact O-N 3.13Å; K387-V389 VanDerWaalsContact C-N 3.28Å; K387-V389 PolarHBondContact O-N 3.4Å | ||
| 388 | T | 51.2 | Low | 54.3 | Low | 139 Ų | 139 | 143.5 Ų | 143.5 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -61 | 97.3 | 163 | 1 | 0 | 0 | 0 | 0 | 106.6 | L390 | T388-L390 PolarHBondContact O-N 2.82Š| ||
| 389 | V | 56.5 | Low | 56 | Low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 94.4 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 105.4 | K387 | K387-V389 VanDerWaalsContact C-N 3.28Å; K387-V389 PolarHBondContact O-N 3.4Å | ||
| 390 | L | 62.6 | Low | 56.8 | Low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.9 | 159.4 | -74.6 | 162.9 | 0 | 0 | 0 | 106.6 | T388 | T388-L390 PolarHBondContact O-N 2.82Š|
| 391 | P | 60.9 | Low | 58.3 | Low | 100 Ų | 100 | 139.6 Ų | 139.6 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.1 | 172.5 | 25.4 | -32.3 | 0 | 0 | 0 | 108.2 | V393 | P391-V393 PolarHBondContact O-N 3.31Å; P391-V393 VanDerWaalsContact O-N 3.17Å |
| 392 | P | 56.6 | Low | 59.9 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 128.6 | 170.9 | 22 | -30.3 | 0 | 0 | 0 | 107.9 | T394 | P392-T394 PolarHBondContact O-N 3.48Š|
| 393 | V | 54.4 | Low | 61.3 | Low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | -51.4 | 112.1 | 170.5 | 177.8 | 0 | 0 | 0 | 0 | 105.4 | P391 N395 | P391-V393 PolarHBondContact O-N 3.31Å; P391-V393 VanDerWaalsContact O-N 3.17Å; V393-N395 PolarHBondContact O-N 3.09Å | ||
| 394 | T | 54.7 | Low | 63 | Low | 50 Ų | 50 | 138.8 Ų | 138.8 | 31% | 0.307 | 72% | 0.715 | S | S | . | * | trans | -68.4 | 139.1 | -176.6 | 79.9 | 0 | 0 | 0 | 0 | 106.7 | P392 F396 D399 | P392-T394 PolarHBondContact O-N 3.48Å; T394-F396 VanDerWaalsContact CB-CD2 3.42Å; T394-F396 HydrophobicContact CG2-CD2 4.27Å; T394-F396 HydrophobicContact CG2-CE2 4.49Å; T394-F396 PolarHBondContact O-N 2.96Å; T394-F396 WeakPolarHBondContact OG1-CD2 3.43Å; T394-D399 PolarHBondContact OG1-OD2 3.38Å | ||
| 395 | N | 59.8 | Low | 64.7 | Low | 125 Ų | 125 | 133.5 Ų | 133.5 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -74.9 | 24.8 | -178.8 | -152.2 | 10.9 | 0 | 0 | 0 | 111.5 | V393 | V393-N395 PolarHBondContact O-N 3.09Š|
| 396 | F | 60.3 | Low | 65.3 | Low | 140 Ų | 140 | 128 Ų | 128 | 61% | 0.614 | 70% | 0.699 | S | S | * | * | trans | -90.9 | 126.1 | -179.9 | -60 | -56.8 | 0 | 0 | 0 | 108.5 | T394 N398 D399 | T394-F396 VanDerWaalsContact CB-CD2 3.42Å; T394-F396 HydrophobicContact CG2-CD2 4.27Å; T394-F396 HydrophobicContact CG2-CE2 4.49Å; T394-F396 PolarHBondContact O-N 2.96Å; T394-F396 WeakPolarHBondContact OG1-CD2 3.43Å; F396-N398 PolarHBondContact O-N 3.15Å; F396-D399 PolarHBondContact O-N 3.05Å; F396-D399 VanDerWaalsContact O-N 3.12Å | ||
| 397 | M | 63.6 | Low | 66.8 | Low | 131 Ų | 131 | 125.1 Ų | 125.1 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -55.7 | -22.5 | 175.3 | -76 | -166.7 | 65.4 | 0 | 0 | 112.7 | D399 W400 | M397-D399 PolarHBondContact O-N 3.18Å; M397-W400 PolarHBondContact O-N 3.3Å |
| 398 | N | 74.8 | Confident | 67.9 | Low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -68.6 | -14.7 | -179.3 | -57.6 | -2.6 | 0 | 0 | 0 | 113.8 | F396 | F396-N398 PolarHBondContact O-N 3.15Š|
| 399 | D | 76.6 | Confident | 69.2 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -90 | -3.5 | 178.4 | -75.9 | 1.6 | 0 | 0 | 0 | 112.9 | T394 F396 M397 | T394-D399 PolarHBondContact OG1-OD2 3.38Å; F396-D399 PolarHBondContact O-N 3.05Å; F396-D399 VanDerWaalsContact O-N 3.12Å; M397-D399 PolarHBondContact O-N 3.18Å |
| 400 | W | 68.9 | Low | 70.1 | Confident | 186 Ų | 186 | 123 Ų | 123 | 71% | 0.705 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82 | 140.4 | -179.7 | -74.6 | 65.4 | 0 | 0 | 0 | 110.9 | M397 | M397-W400 PolarHBondContact O-N 3.3Š|
| 401 | P | 79 | Confident | 71 | Confident | 105 Ų | 105 | 119.8 Ų | 119.8 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.9 | 171.6 | 27.3 | -32.7 | 0 | 0 | 0 | 110 | L403 | P401-L403 PolarHBondContact O-N 3.35Š|
| 402 | D | 80.8 | Confident | 71.7 | Confident | 166 Ų | 166 | 121.9 Ų | 121.9 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -56 | 123.7 | 172.9 | -65.2 | -39 | 0 | 0 | 0 | 109.8 | ||
| 403 | L | 72.4 | Confident | 72.4 | Confident | 126 Ų | 126 | 124 Ų | 124 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 145.2 | 176.3 | -68.1 | 173.3 | 0 | 0 | 0 | 109.9 | P401 | P401-L403 PolarHBondContact O-N 3.35Š|
| 404 | P | 80.7 | Confident | 73.3 | Confident | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 139.3 | 174.9 | 26 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 405 | C | 79.5 | Confident | 73.6 | Confident | 126 Ų | 126 | 123.8 Ų | 123.8 | 85% | 0.851 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.7 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 406 | L | 73.1 | Confident | 73 | Confident | 92 Ų | 92 | 122.3 Ų | 122.3 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 146.2 | 170.7 | -69.1 | 172.2 | 0 | 0 | 0 | 109.8 | E408 I410 | L406-E408 PolarHBondContact O-N 2.66Å; L406-I410 HydrophobicContact CB-CD1 3.85Å; L406-I410 HydrophobicContact CD1-CD1 4.24Å; L406-I410 HydrophobicContact CD2-CD1 3.98Å; L406-I410 HydrophobicContact CG-CD1 4.24Å |
| 407 | P | 80.6 | Confident | 72.7 | Confident | 91 Ų | 91 | 124.4 Ų | 124.4 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 135.8 | 169.6 | -23.5 | 31.9 | 0 | 0 | 0 | 111 | D409 I410 | P407-D409 PolarHBondContact O-N 3.1Å; P407-D409 VanDerWaalsContact O-N 3.16Å; P407-I410 HydrophobicContact CB-CG1 4.41Å; P407-I410 WeakPolarHBondContact O-CG1 3.48Å; P407-I410 PolarHBondContact O-N 3.04Å |
| 408 | E | 78.7 | Confident | 71.8 | Confident | 196 Ų | 196 | 122.1 Ų | 122.1 | 92% | 0.916 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -23.2 | 177 | -71 | 176.8 | 170.2 | 0 | 0 | 112.1 | L406 I410 | L406-E408 PolarHBondContact O-N 2.66Å; E408-I410 PolarHBondContact O-N 3.5Å |
| 409 | D | 79.4 | Confident | 70.5 | Confident | 152 Ų | 152 | 124.9 Ų | 124.9 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 18.1 | -173 | -56.5 | -31.4 | 0 | 0 | 0 | 114.5 | P407 D411 | P407-D409 PolarHBondContact O-N 3.1Å; P407-D409 VanDerWaalsContact O-N 3.16Å; D409-D411 PolarHBondContact O-N 3.12Å |
| 410 | I | 75.1 | Confident | 69 | Low | 54 Ų | 54 | 125 Ų | 125 | 28% | 0.277 | 65% | 0.646 | S | S | . | * | trans | -67.2 | 108.1 | 173.2 | -64.1 | 175.2 | 0 | 0 | 0 | 108.7 | L406 P407 E408 W412 | L406-I410 HydrophobicContact CB-CD1 3.85Å; L406-I410 HydrophobicContact CD1-CD1 4.24Å; L406-I410 HydrophobicContact CD2-CD1 3.98Å; L406-I410 HydrophobicContact CG-CD1 4.24Å; P407-I410 HydrophobicContact CB-CG1 4.41Å; P407-I410 WeakPolarHBondContact O-CG1 3.48Å; P407-I410 PolarHBondContact O-N 3.04Å; E408-I410 PolarHBondContact O-N 3.5Å; I410-W412 HydrophobicContact CB-CZ2 4.48Å; I410-W412 HydrophobicContact CG2-CD2 4.05Å; I410-W412 HydrophobicContact CG2-CE3 4.34Å; I410-W412 HydrophobicContact CG2-CH2 4.44Å; I410-W412 HydrophobicContact CG2-CZ2 4.14Å; I410-W412 PolarHBondContact O-N 3.17Å; I410-W412 PolarHBondContact O-NE1 3.14Å | ||
| 411 | D | 80.4 | Confident | 67.7 | Low | 81 Ų | 81 | 122 Ų | 122 | 43% | 0.433 | 65% | 0.648 | S | S | . | * | trans | -73.8 | 90.8 | 171.4 | -175.8 | 6.8 | 0 | 0 | 0 | 110.7 | D409 H413 S414 | D409-D411 PolarHBondContact O-N 3.12Å; D411-H413 PolarHBondContact O-N 2.84Å; D411-H413 VanDerWaalsContact O-N 3.15Å; D411-H413 WeakPolarHBondContact OD1-CA 3.33Å; D411-H413 VanDerWaalsContact OD1-CB 3.24Å; D411-H413 WeakPolarHBondContact OD1-CB 3.21Å; D411-H413 IonicContact OD1-CD2 3.68Å; D411-H413 IonicContact OD1-CG 3.12Å; D411-H413 PolarHBondContact OD1-N 3.25Å; D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 VanDerWaalsContact O-N 3.14Å; D411-S414 PolarHBondContact OD1-N 2.97Å; D411-S414 VanDerWaalsContact OD2-CB 3.29Å; D411-S414 WeakPolarHBondContact OD2-CB 3.47Å; D411-S414 PolarHBondContact OD2-N 3.42Å; D411-S414 PolarHBondContact OD2-OG 3.33Å | ||
| 412 | W | 75.4 | Confident | 65.7 | Low | 144 Ų | 144 | 122.7 Ų | 122.7 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -18.4 | 173.4 | -59.3 | 100.6 | 0 | 0 | 0 | 113.6 | I410 L415 | I410-W412 HydrophobicContact CB-CZ2 4.48Å; I410-W412 HydrophobicContact CG2-CD2 4.05Å; I410-W412 HydrophobicContact CG2-CE3 4.34Å; I410-W412 HydrophobicContact CG2-CH2 4.44Å; I410-W412 HydrophobicContact CG2-CZ2 4.14Å; I410-W412 PolarHBondContact O-N 3.17Å; I410-W412 PolarHBondContact O-NE1 3.14Å; W412-L415 HydrophobicContact CE3-CD1 3.93Å; W412-L415 HydrophobicContact CZ3-CD1 4.38Å |
| 413 | H | 72 | Confident | 63.7 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -21.3 | 179.2 | -54.6 | -70 | 0 | 0 | 0 | 112.6 | D411 L415 | D411-H413 PolarHBondContact O-N 2.84Å; D411-H413 VanDerWaalsContact O-N 3.15Å; D411-H413 WeakPolarHBondContact OD1-CA 3.33Å; D411-H413 VanDerWaalsContact OD1-CB 3.24Å; D411-H413 WeakPolarHBondContact OD1-CB 3.21Å; D411-H413 IonicContact OD1-CD2 3.68Å; D411-H413 IonicContact OD1-CG 3.12Å; D411-H413 PolarHBondContact OD1-N 3.25Å; H413-L415 VanDerWaalsContact C-N 3.31Å |
| 414 | S | 72.3 | Confident | 62 | Low | 89 Ų | 89 | 119.6 Ų | 119.6 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -14 | 172.1 | -79.2 | 0 | 0 | 0 | 0 | 113.5 | D411 D416 | D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 VanDerWaalsContact O-N 3.14Å; D411-S414 PolarHBondContact OD1-N 2.97Å; D411-S414 VanDerWaalsContact OD2-CB 3.29Å; D411-S414 WeakPolarHBondContact OD2-CB 3.47Å; D411-S414 PolarHBondContact OD2-N 3.42Å; D411-S414 PolarHBondContact OD2-OG 3.33Å; S414-D416 PolarHBondContact O-N 3.08Å; S414-D416 VanDerWaalsContact O-N 3.12Å |
| 415 | L | 62.1 | Low | 60.1 | Low | 88 Ų | 88 | 120.1 Ų | 120.1 | 46% | 0.461 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -67.1 | 112.1 | 171.1 | -80.3 | 163.1 | 0 | 0 | 0 | 109.1 | W412 H413 R417 | W412-L415 HydrophobicContact CE3-CD1 3.93Å; W412-L415 HydrophobicContact CZ3-CD1 4.38Å; H413-L415 VanDerWaalsContact C-N 3.31Å; L415-R417 PolarHBondContact O-N 2.98Å |
| 416 | D | 47.5 | Very low | 58.2 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -57.5 | 98.9 | -177.3 | -170.2 | -0.9 | 0 | 0 | 0 | 111.1 | S414 S418 Y419 | S414-D416 PolarHBondContact O-N 3.08Å; S414-D416 VanDerWaalsContact O-N 3.12Å; D416-S418 PolarHBondContact O-N 2.94Å; D416-S418 VanDerWaalsContact O-N 3.16Å; D416-S418 WeakPolarHBondContact OD1-CB 3.4Å; D416-S418 PolarHBondContact OD1-N 2.89Å; D416-S418 PolarHBondContact OD1-OG 2.94Å; D416-S418 PolarHBondContact OD2-OG 3.26Å; D416-Y419 HydrophobicContact CB-CD2 4.22Å; D416-Y419 HydrophobicContact CB-CE2 4.31Å; D416-Y419 WeakPolarHBondContact OD2-CE2 3.34Å | ||
| 417 | R | 53.5 | Low | 56.7 | Low | 183 Ų | 183 | 120.5 Ų | 120.5 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -66 | -9.8 | 175.7 | -67.5 | -175.5 | 178.8 | -175.7 | -1.8 | 112.3 | L415 Y419 V420 | L415-R417 PolarHBondContact O-N 2.98Å; R417-Y419 PolarHBondContact O-N 3.34Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; R417-V420 PolarHBondContact O-N 3.27Å; R417-V420 VanDerWaalsContact O-N 3.07Å |
| 418 | S | 45.8 | Very low | 54.8 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -65 | -18 | -177.3 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | D416 | D416-S418 PolarHBondContact O-N 2.94Å; D416-S418 VanDerWaalsContact O-N 3.16Å; D416-S418 WeakPolarHBondContact OD1-CB 3.4Å; D416-S418 PolarHBondContact OD1-N 2.89Å; D416-S418 PolarHBondContact OD1-OG 2.94Å; D416-S418 PolarHBondContact OD2-OG 3.26Å |
| 419 | Y | 46 | Very low | 52.5 | Low | 193 Ų | 193 | 122.7 Ų | 122.7 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -91.9 | -7.2 | 175.4 | -61.8 | -75.5 | 0 | 0 | 0 | 114.5 | D416 R417 T421 | D416-Y419 HydrophobicContact CB-CD2 4.22Å; D416-Y419 HydrophobicContact CB-CE2 4.31Å; D416-Y419 WeakPolarHBondContact OD2-CE2 3.34Å; R417-Y419 PolarHBondContact O-N 3.34Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; Y419-T421 PolarHBondContact O-N 2.86Å |
| 420 | V | 46.2 | Very low | 50.7 | Low | 102 Ų | 102 | 121.3 Ų | 121.3 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.1 | 95.5 | 168.1 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | R417 V422 | R417-V420 PolarHBondContact O-N 3.27Å; R417-V420 VanDerWaalsContact O-N 3.07Å; V420-V422 VanDerWaalsContact C-N 3.34Å; V420-V422 PolarHBondContact O-N 3.2Å |
| 421 | T | 40.2 | Very low | 49 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | trans | -51.8 | 107.4 | 164.3 | 41.3 | 0 | 0 | 0 | 0 | 106.9 | Y419 C423 | Y419-T421 PolarHBondContact O-N 2.86Å; T421-C423 VanDerWaalsContact C-N 3.25Å; T421-C423 PolarHBondContact O-N 3.45Å | ||
| 422 | V | 38.9 | Very low | 46.8 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -55.7 | 98.3 | 168.1 | 178.1 | 0 | 0 | 0 | 0 | 105 | V420 D424 | V420-V422 VanDerWaalsContact C-N 3.34Å; V420-V422 PolarHBondContact O-N 3.2Å; V422-D424 PolarHBondContact O-N 3.2Å | ||
| 423 | C | 38.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | trans | -55.3 | 122.2 | 153.3 | -72.8 | 0 | 0 | 0 | 0 | 104.5 | T421 N425 | T421-C423 VanDerWaalsContact C-N 3.25Å; T421-C423 PolarHBondContact O-N 3.45Å; C423-N425 PolarHBondContact O-N 3.05Å; C423-N425 PolarHBondContact O-OD1 3.21Å | ||
| 424 | D | 36.5 | Very low | 43.6 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | -56.7 | 90.6 | 171.1 | -88.5 | -35.5 | 0 | 0 | 0 | 108 | V422 S426 | V422-D424 PolarHBondContact O-N 3.2Å; D424-S426 PolarHBondContact O-N 2.82Å | ||
| 425 | N | 41.6 | Very low | 41.7 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | -75.8 | 20.7 | 175.6 | -73.8 | -10.1 | 0 | 0 | 0 | 111.3 | C423 S427 M428 | C423-N425 PolarHBondContact O-N 3.05Å; C423-N425 PolarHBondContact O-OD1 3.21Å; N425-S427 PolarHBondContact O-N 3.12Å; N425-M428 PolarHBondContact O-N 2.79Å | ||
| 426 | S | 38.6 | Very low | 40.9 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 1.9 | 179.5 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | D424 | D424-S426 PolarHBondContact O-N 2.82Š|
| 427 | S | 40.9 | Very low | 40.6 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 2.4 | -179.8 | 49 | 0 | 0 | 0 | 0 | 114.9 | N425 | N425-S427 PolarHBondContact O-N 3.12Š|
| 428 | M | 41.9 | Very low | 39.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -114.8 | 86.1 | 174.2 | -149 | 171.6 | 159.4 | 0 | 0 | 109.3 | N425 I430 | N425-M428 PolarHBondContact O-N 2.79Å; M428-I430 HydrophobicContact CB-CG1 4.4Å; M428-I430 HydrophobicContact CE-CD1 4Å; M428-I430 HydrophobicContact CE-CG1 4.01Å; M428-I430 HydrophobicContact CG-CD1 4.38Å; M428-I430 HydrophobicContact CG-CG1 3.88Å; M428-I430 PolarHBondContact O-N 3.01Å; M428-I430 HydrophobicContact SD-CD1 4.27Å; M428-I430 HydrophobicContact SD-CG1 4.35Å | ||
| 429 | E | 30.6 | Very low | 39.4 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -61.6 | 76.4 | 162.9 | -167.2 | 177.1 | -167.2 | 0 | 0 | 107.9 | A431 | E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.39Å; E429-A431 VanDerWaalsContact O-N 3.07Å | ||
| 430 | I | 42 | Very low | 39.1 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -74.7 | 96.9 | 164.4 | -58.6 | 179.3 | 0 | 0 | 0 | 104.1 | M428 E432 | M428-I430 HydrophobicContact CB-CG1 4.4Å; M428-I430 HydrophobicContact CE-CD1 4Å; M428-I430 HydrophobicContact CE-CG1 4.01Å; M428-I430 HydrophobicContact CG-CD1 4.38Å; M428-I430 HydrophobicContact CG-CG1 3.88Å; M428-I430 PolarHBondContact O-N 3.01Å; M428-I430 HydrophobicContact SD-CD1 4.27Å; M428-I430 HydrophobicContact SD-CG1 4.35Å; I430-E432 PolarHBondContact O-N 2.8Å; I430-E432 VanDerWaalsContact O-N 3.07Å | ||
| 431 | A | 37.9 | Very low | 38.5 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | trans | -45 | 120.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | E429 Y433 | E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.39Å; E429-A431 VanDerWaalsContact O-N 3.07Å; A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 2.91Å | ||
| 432 | E | 35.7 | Very low | 38.1 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -36.7 | 91.7 | 170.1 | -155.5 | 168.9 | -158.2 | 0 | 0 | 110.2 | I430 N434 | I430-E432 PolarHBondContact O-N 2.8Å; I430-E432 VanDerWaalsContact O-N 3.07Å; E432-N434 VanDerWaalsContact C-N 3.32Å; E432-N434 PolarHBondContact O-N 3.41Å | ||
| 433 | Y | 41.8 | Very low | 37.9 | Very low | 226 Ų | 226 | 133.6 Ų | 133.6 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | trans | -74.8 | 97.5 | 171.4 | -112.6 | -89.8 | 0 | 0 | 0 | 106.6 | A431 S435 | A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 2.91Å; Y433-S435 PolarHBondContact O-N 3.37Å | ||
| 434 | N | 37.2 | Very low | 37.9 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -42.5 | 132 | 172 | -69.8 | -63.9 | 0 | 0 | 0 | 111.2 | E432 | E432-N434 VanDerWaalsContact C-N 3.32Å; E432-N434 PolarHBondContact O-N 3.41Å | ||
| 435 | S | 33.1 | Very low | 38 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -12.2 | 125.3 | 160.3 | -177.7 | 0 | 0 | 0 | 0 | 114.5 | Y433 Q437 | Y433-S435 PolarHBondContact O-N 3.37Å; S435-Q437 PolarHBondContact O-N 2.85Å | ||
| 436 | P | 44.7 | Very low | 37.8 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -69 | 91.5 | 164.7 | 27.2 | -28.3 | 0 | 0 | 0 | 108.2 | K438 | P436-K438 PolarHBondContact O-N 3.05Å; P436-K438 VanDerWaalsContact O-N 3.09Å | ||
| 437 | Q | 40.7 | Very low | 38 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -56 | 109.5 | 164.8 | -169.6 | 167.8 | 13 | 0 | 0 | 108.2 | S435 C439 | S435-Q437 PolarHBondContact O-N 2.85Å; Q437-C439 PolarHBondContact O-N 2.94Å; Q437-C439 VanDerWaalsContact O-N 3.09Å | ||
| 438 | K | 37.8 | Very low | 37.9 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | 13 | 84.7 | 159.3 | -65.2 | -179.7 | 177.1 | -179.4 | 0 | 115.1 | P436 T440 | P436-K438 PolarHBondContact O-N 3.05Å; P436-K438 VanDerWaalsContact O-N 3.09Å; K438-T440 PolarHBondContact O-N 2.85Å | ||
| 439 | C | 37.9 | Very low | 37.8 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -81.6 | 98.3 | 159.1 | -89.9 | 0 | 0 | 0 | 0 | 108.8 | Q437 V441 | Q437-C439 PolarHBondContact O-N 2.94Å; Q437-C439 VanDerWaalsContact O-N 3.09Å; C439-V441 PolarHBondContact O-N 3.32Å | ||
| 440 | T | 38.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 122.7 | 165.2 | 15.1 | 0 | 0 | 0 | 0 | 111.3 | K438 | K438-T440 PolarHBondContact O-N 2.85Š| ||
| 441 | V | 32.7 | Very low | 38.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | 42.9 | 89 | 139 | -167.2 | 0 | 0 | 0 | 0 | 116 | C439 | C439-V441 PolarHBondContact O-N 3.32Š| ||
| 442 | G | 33.4 | Very low | 38.9 | Very low | 60 Ų | 60 | 133.1 Ų | 133.1 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | trans | -129.7 | 115.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 443 | A | 34.1 | Very low | 39.4 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 149.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 444 | E | 37.6 | Very low | 39.9 | Very low | 204 Ų | 204 | 122.3 Ų | 122.3 | 95% | 0.953 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.5 | 5.5 | -179.6 | -55.2 | -177.1 | -167.3 | 0 | 0 | 117.4 | ||
| 445 | S | 38.2 | Very low | 40.8 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | trans | -115.7 | 72.4 | -177.2 | 171.1 | 0 | 0 | 0 | 0 | 113.8 | A448 | S445-A448 WeakPolarHBondContact OG-CB 3.42Š| ||
| 446 | E | 37.6 | Very low | 42 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 90% | 0.897 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 1.2 | 169.6 | -147.6 | 168.4 | -155.6 | 0 | 0 | 113.2 | ||
| 447 | Y | 44.4 | Very low | 43.1 | Very low | 207 Ų | 207 | 114.3 Ų | 114.3 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 18 | 171 | -69.2 | -75.2 | 0 | 0 | 0 | 113.5 | C449 | Y447-C449 PolarHBondContact O-N 3.06Š|
| 448 | A | 38.6 | Very low | 44.4 | Very low | 61 Ų | 61 | 110.2 Ų | 110.2 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | trans | -71.1 | 116.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S445 | S445-A448 WeakPolarHBondContact OG-CB 3.42Š| ||
| 449 | C | 39.8 | Very low | 45.9 | Very low | 121 Ų | 121 | 106.2 Ų | 106.2 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | trans | 61.6 | 56.8 | 152.4 | -64 | 0 | 0 | 0 | 0 | 117.3 | Y447 S451 | Y447-C449 PolarHBondContact O-N 3.06Å; C449-S451 PolarHBondContact O-N 2.92Å | ||
| 450 | I | 43.3 | Very low | 47.4 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | trans | -79.9 | 107.2 | 152.5 | -60 | 174.6 | 0 | 0 | 0 | 106.6 | N454 | I450-N454 HydrophobicContact CG2-CB 3.64Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.47Å | ||
| 451 | S | 43.5 | Very low | 48.6 | Very low | 59 Ų | 59 | 105.7 Ų | 105.7 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | trans | -46.5 | 139.2 | 175.8 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | C449 T453 N454 | C449-S451 PolarHBondContact O-N 2.92Å; S451-T453 PolarHBondContact O-N 2.91Å; S451-N454 WeakPolarHBondContact O-CB 3.2Å; S451-N454 PolarHBondContact O-N 3.01Å | ||
| 452 | P | 46 | Very low | 50.6 | Low | 89 Ų | 89 | 106.6 Ų | 106.6 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -18.4 | 177.5 | -25 | 32.9 | 0 | 0 | 0 | 113.9 | V471 | P452-V471 HydrophobicContact CB-CB 4.46Å; P452-V471 HydrophobicContact CB-CG1 4.23Å; P452-V471 HydrophobicContact CB-CG2 3.95Å; P452-V471 WeakPolarHBondContact O-CG2 3.32Å |
| 453 | T | 46.8 | Very low | 52.2 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 9.1 | -178.8 | 49 | 0 | 0 | 0 | 0 | 114.4 | S451 L455 | S451-T453 PolarHBondContact O-N 2.91Å; T453-L455 PolarHBondContact O-N 3.2Å |
| 454 | N | 51.2 | Low | 53.8 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | trans | -68.9 | 79.7 | 177.1 | -99.9 | -37.5 | 0 | 0 | 0 | 111 | I450 S451 H456 P469 | I450-N454 HydrophobicContact CG2-CB 3.64Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.47Å; S451-N454 WeakPolarHBondContact O-CB 3.2Å; S451-N454 PolarHBondContact O-N 3.01Å; N454-H456 PolarHBondContact O-CE1 3.45Å; N454-H456 PolarHBondContact O-N 2.92Å; N454-H456 PolarHBondContact O-ND1 3.42Å; N454-P469 WeakPolarHBondContact O-CD 3.39Å; N454-P469 VanDerWaalsContact O-CG 3.3Å; N454-P469 WeakPolarHBondContact O-CG 3.46Å | ||
| 455 | L | 56.6 | Low | 55.5 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | trans | -59.9 | 121.1 | 172.3 | -72.6 | 148.6 | 0 | 0 | 0 | 108.9 | T453 H466 L468 | T453-L455 PolarHBondContact O-N 3.2Å; L455-H466 HydrophobicContact CD2-CB 3.78Å; L455-L468 HydrophobicContact CD2-CD2 3.27Å; L455-L468 HydrophobicContact CD2-CG 3.57Å; L455-L468 HydrophobicContact CG-CD2 3.76Å | ||
| 456 | H | 57.7 | Low | 56.9 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 41% | 0.407 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 109 | 172.1 | -68.4 | 34 | 0 | 0 | 0 | 107.7 | N454 I467 | N454-H456 PolarHBondContact O-CE1 3.45Å; N454-H456 PolarHBondContact O-N 2.92Å; N454-H456 PolarHBondContact O-ND1 3.42Å; H456-I467 HydrophobicContact CB-CB 4.31Å; H456-I467 PolarHBondContact N-O 2.93Å; H456-I467 PolarHBondContact O-N 3.47Å |
| 457 | S | 68.1 | Low | 58.3 | Low | 34 Ų | 34 | 102 Ų | 102 | 24% | 0.238 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.2 | -178.8 | -44.6 | 0 | 0 | 0 | 0 | 109.9 | L465 H466 | S457-L465 CarbonylContact C-O 3.57Å; S457-L465 WeakPolarHBondContact CA-O 3.25Å; S457-H466 PolarHBondContact OG-CE1 3.18Å; S457-H466 VanDerWaalsContact OG-CE1 3.29Å; S457-H466 PolarHBondContact OG-ND1 3.37Å |
| 458 | I | 69 | Low | 58.9 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.4 | 171.5 | -54.7 | 179.4 | 0 | 0 | 0 | 107.9 | L465 I467 | I458-L465 PolarHBondContact N-O 2.95Å; I458-L465 PolarHBondContact O-N 3.22Å; I458-I467 HydrophobicContact CD1-CD1 3.59Å; I458-I467 HydrophobicContact CG1-CD1 4.25Å |
| 459 | I | 68.9 | Low | 59.6 | Low | 113 Ų | 113 | 95.2 Ų | 95.2 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.9 | 176.1 | -57.8 | 170.8 | 0 | 0 | 0 | 108.8 | Y464 | I459-Y464 HydrophobicContact CD1-CE1 3.89Å; I459-Y464 HydrophobicContact CG1-CD1 3.81Å; I459-Y464 HydrophobicContact CG1-CE1 3.44Å; I459-Y464 VanDerWaalsContact CG1-CE1 3.44Å |
| 460 | L | 69.4 | Low | 60.3 | Low | 97 Ų | 97 | 98.3 Ų | 98.3 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 107.8 | 174.4 | -99.7 | 140.5 | 0 | 0 | 0 | 107.7 | D462 Q463 L465 | L460-D462 PolarHBondContact O-N 3.3Å; L460-Q463 PolarHBondContact N-O 3.28Å; L460-Q463 WeakPolarHBondContact O-CA 3.29Å; L460-Q463 WeakPolarHBondContact O-CB 3.25Å; L460-Q463 PolarHBondContact O-N 2.99Å; L460-Q463 VanDerWaalsContact O-O 3.13Å; L460-L465 HydrophobicContact CD1-CB 4.22Å; L460-L465 HydrophobicContact CD1-CD2 4.02Å |
| 461 | D | 63.8 | Low | 60.6 | Low | 152 Ų | 152 | 97 Ų | 97 | 81% | 0.813 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 63.4 | 174.2 | -60 | -24.6 | 0 | 0 | 0 | 113.9 | Q463 | D461-Q463 PolarHBondContact O-N 3.35Å; D461-Q463 VanDerWaalsContact O-N 3.11Å |
| 462 | D | 74.7 | Confident | 60.8 | Low | 163 Ų | 163 | 97.7 Ų | 97.7 | 87% | 0.872 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 5.6 | -178.2 | -53.8 | -29.5 | 0 | 0 | 0 | 115.9 | L460 | L460-D462 PolarHBondContact O-N 3.3Š|
| 463 | Q | 67 | Low | 60.9 | Low | 143 Ų | 143 | 101.5 Ų | 101.5 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.7 | 173.9 | -59.4 | -176.3 | 10.7 | 0 | 0 | 111.3 | L460 D461 | L460-Q463 PolarHBondContact N-O 3.28Å; L460-Q463 WeakPolarHBondContact O-CA 3.29Å; L460-Q463 WeakPolarHBondContact O-CB 3.25Å; L460-Q463 PolarHBondContact O-N 2.99Å; L460-Q463 VanDerWaalsContact O-O 3.13Å; D461-Q463 PolarHBondContact O-N 3.35Å; D461-Q463 VanDerWaalsContact O-N 3.11Å |
| 464 | Y | 68.2 | Low | 61 | Low | 142 Ų | 142 | 101.6 Ų | 101.6 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.4 | 172.4 | -70 | -87.4 | 0 | 0 | 0 | 109.7 | I459 H466 | I459-Y464 HydrophobicContact CD1-CE1 3.89Å; I459-Y464 HydrophobicContact CG1-CD1 3.81Å; I459-Y464 HydrophobicContact CG1-CE1 3.44Å; I459-Y464 VanDerWaalsContact CG1-CE1 3.44Å; Y464-H466 PolarHBondContact O-N 3.03Å |
| 465 | L | 72.6 | Confident | 60.9 | Low | 91 Ų | 91 | 101.9 Ų | 101.9 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.6 | 166.7 | -178.5 | 66.6 | 0 | 0 | 0 | 108.6 | S457 I458 L460 I467 | S457-L465 CarbonylContact C-O 3.57Å; S457-L465 WeakPolarHBondContact CA-O 3.25Å; I458-L465 PolarHBondContact N-O 2.95Å; I458-L465 PolarHBondContact O-N 3.22Å; L460-L465 HydrophobicContact CD1-CB 4.22Å; L460-L465 HydrophobicContact CD1-CD2 4.02Å; L465-I467 HydrophobicContact CD2-CG1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.36Å; L465-I467 PolarHBondContact O-N 2.94Å |
| 466 | H | 67.2 | Low | 60.3 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.5 | 173.5 | -56.6 | -74.5 | 0 | 0 | 0 | 110.7 | L455 S457 Y464 | L455-H466 HydrophobicContact CD2-CB 3.78Å; S457-H466 PolarHBondContact OG-CE1 3.18Å; S457-H466 VanDerWaalsContact OG-CE1 3.29Å; S457-H466 PolarHBondContact OG-ND1 3.37Å; Y464-H466 PolarHBondContact O-N 3.03Å |
| 467 | I | 66.7 | Low | 60 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 37% | 0.369 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.4 | 172.3 | -55.6 | 175.4 | 0 | 0 | 0 | 107.1 | H456 I458 L465 P469 | H456-I467 HydrophobicContact CB-CB 4.31Å; H456-I467 PolarHBondContact N-O 2.93Å; H456-I467 PolarHBondContact O-N 3.47Å; I458-I467 HydrophobicContact CD1-CD1 3.59Å; I458-I467 HydrophobicContact CG1-CD1 4.25Å; L465-I467 HydrophobicContact CD2-CG1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.36Å; L465-I467 PolarHBondContact O-N 2.94Å; I467-P469 WeakPolarHBondContact O-CD 3.36Å |
| 468 | L | 57.8 | Low | 59 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | trans | -70.4 | 121.2 | 166.6 | -76.8 | 166.1 | 0 | 0 | 0 | 108.2 | L455 W470 | L455-L468 HydrophobicContact CD2-CD2 3.27Å; L455-L468 HydrophobicContact CD2-CG 3.57Å; L455-L468 HydrophobicContact CG-CD2 3.76Å; L468-W470 PolarHBondContact O-N 3.41Å | ||
| 469 | P | 54.1 | Low | 57.8 | Low | 22 Ų | 22 | 118.7 Ų | 118.7 | 14% | 0.143 | 58% | 0.575 | C | S | . | * | trans | -60.2 | 127.5 | 164.5 | 25.3 | -29.9 | 0 | 0 | 0 | 106.8 | N454 I467 V471 | N454-P469 WeakPolarHBondContact O-CD 3.39Å; N454-P469 VanDerWaalsContact O-CG 3.3Å; N454-P469 WeakPolarHBondContact O-CG 3.46Å; I467-P469 WeakPolarHBondContact O-CD 3.36Å; P469-V471 PolarHBondContact O-N 2.87Å | ||
| 470 | W | 54.3 | Low | 56.9 | Low | 186 Ų | 186 | 121 Ų | 121 | 71% | 0.705 | 58% | 0.581 | S | S | * | * | trans | -61.2 | 108.9 | 170.9 | -78.8 | 56.2 | 0 | 0 | 0 | 107 | L468 P498 | L468-W470 PolarHBondContact O-N 3.41Å; W470-P498 HydrophobicContact CZ3-CG 4.45Å | ||
| 471 | V | 49.4 | Very low | 56 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 34% | 0.339 | 59% | 0.588 | S | S | . | * | trans | -88.9 | 112 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 105.4 | P452 P469 M473 | P452-V471 HydrophobicContact CB-CB 4.46Å; P452-V471 HydrophobicContact CB-CG1 4.23Å; P452-V471 HydrophobicContact CB-CG2 3.95Å; P452-V471 WeakPolarHBondContact O-CG2 3.32Å; P469-V471 PolarHBondContact O-N 2.87Å; V471-M473 PolarHBondContact O-N 2.83Å | ||
| 472 | D | 46.6 | Very low | 55.4 | Low | 75 Ų | 75 | 118.6 Ų | 118.6 | 40% | 0.401 | 57% | 0.566 | S | S | . | * | trans | -61.1 | 107.6 | 166.9 | -164.3 | -7.8 | 0 | 0 | 0 | 107.5 | I474 | D472-I474 PolarHBondContact O-N 3.5Å; D472-I474 VanDerWaalsContact O-N 3.08Å; D472-I474 PolarHBondContact OD1-N 3.1Å | ||
| 473 | M | 48.4 | Very low | 54.5 | Low | 168 Ų | 168 | 113.6 Ų | 113.6 | 83% | 0.828 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -70.5 | 2.4 | -176.7 | -80 | -176 | 52.9 | 0 | 0 | 112.7 | V471 | V471-M473 PolarHBondContact O-N 2.83Š|
| 474 | I | 50.3 | Low | 53.7 | Low | 103 Ų | 103 | 113.3 Ų | 113.3 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -128.2 | 65.5 | -174.7 | -46 | -177.7 | 0 | 0 | 0 | 110.2 | D472 Y476 M495 | D472-I474 PolarHBondContact O-N 3.5Å; D472-I474 VanDerWaalsContact O-N 3.08Å; D472-I474 PolarHBondContact OD1-N 3.1Å; I474-Y476 WeakPolarHBondContact O-CD2 3.49Å; I474-Y476 PolarHBondContact O-N 3.48Å; I474-M495 HydrophobicContact CD1-CE 4.12Å; I474-M495 HydrophobicContact CD1-SD 3.44Å; I474-M495 WeakPolarHBondContact CD1-SD 3.33Å |
| 475 | G | 48.7 | Very low | 53.2 | Low | 78 Ų | 78 | 108.9 Ų | 108.9 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 60.2 | 7.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 476 | Y | 43.5 | Very low | 52.8 | Low | 195 Ų | 195 | 111.3 Ų | 111.3 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -125.5 | 152.8 | -178 | -79.8 | -89.7 | 0 | 0 | 0 | 111.3 | I474 | I474-Y476 WeakPolarHBondContact O-CD2 3.49Å; I474-Y476 PolarHBondContact O-N 3.48Å |
| 477 | R | 51.2 | Low | 52.8 | Low | 206 Ų | 206 | 112.6 Ų | 112.6 | 78% | 0.777 | 57% | 0.565 | S | S | * | * | trans | -48.1 | 140.1 | -166.3 | -70.9 | 179.9 | 176.5 | -150.1 | -2.1 | 113.1 | H479 | R477-H479 PolarHBondContact O-CD2 3.11Å; R477-H479 PolarHBondContact O-N 3.1Å | ||
| 478 | R | 46.6 | Very low | 52.6 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 46% | 0.457 | 56% | 0.563 | S | S | . | * | trans | -50.9 | 101.9 | 170 | -71.9 | -179.4 | 175.3 | 174.9 | -1.5 | 110.4 | ||||
| 479 | H | 45.4 | Very low | 52.9 | Low | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | trans | -117.1 | 114.9 | 167.9 | -70.3 | -63.6 | 0 | 0 | 0 | 108.1 | R477 F481 | R477-H479 PolarHBondContact O-CD2 3.11Å; R477-H479 PolarHBondContact O-N 3.1Å; H479-F481 WeakPolarHBondContact CB-O 3.15Å; H479-F481 PolarHBondContact O-N 3.11Å | ||
| 480 | F | 48.8 | Very low | 53.5 | Low | 161 Ų | 161 | 113.8 Ų | 113.8 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -63.6 | -18.7 | 177.6 | -118.2 | -90.3 | 0 | 0 | 0 | 112.7 | ||
| 481 | F | 50.6 | Low | 54 | Low | 145 Ų | 145 | 109.7 Ų | 109.7 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -139 | 135.4 | 175.4 | -63.4 | -82.2 | 0 | 0 | 0 | 107.9 | H479 S483 | H479-F481 WeakPolarHBondContact CB-O 3.15Å; H479-F481 PolarHBondContact O-N 3.11Å; F481-S483 PolarHBondContact O-N 3.34Å |
| 482 | P | 52.3 | Low | 54.5 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | trans | -53.8 | 139 | 171.6 | 21 | -30.4 | 0 | 0 | 0 | 109.7 | C484 E488 L492 | P482-C484 PolarHBondContact O-N 3.42Å; P482-E488 HydrophobicContact CB-CB 4.47Å; P482-L492 HydrophobicContact CB-CD1 3.57Å; P482-L492 HydrophobicContact CG-CD1 3.71Å | ||
| 483 | S | 54.6 | Low | 55.4 | Low | 58 Ų | 58 | 112.4 Ų | 112.4 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | trans | -61.7 | 137 | 170.6 | -51.7 | 0 | 0 | 0 | 0 | 106.1 | F481 S485 E488 | F481-S483 PolarHBondContact O-N 3.34Å; S483-S485 PolarHBondContact O-N 3.08Å; S483-E488 WeakPolarHBondContact CA-OE2 3.46Å; S483-E488 VanDerWaalsContact CB-OE2 3.29Å; S483-E488 WeakPolarHBondContact CB-OE2 3.37Å; S483-E488 PolarHBondContact N-OE2 3.25Å | ||
| 484 | C | 51.4 | Low | 56.4 | Low | 138 Ų | 138 | 109.8 Ų | 109.8 | 93% | 0.932 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -67 | 34.1 | -168.5 | -59.9 | 0 | 0 | 0 | 0 | 115.7 | P482 | P482-C484 PolarHBondContact O-N 3.42Š|
| 485 | S | 57.5 | Low | 56.8 | Low | 48 Ų | 48 | 108.3 Ų | 108.3 | 34% | 0.336 | 56% | 0.563 | S | S | . | * | trans | -78.6 | 129.4 | 167 | 76 | 0 | 0 | 0 | 0 | 109.2 | S483 Q487 E488 L489 | S483-S485 PolarHBondContact O-N 3.08Å; S485-Q487 PolarHBondContact O-N 3.26Å; S485-E488 PolarHBondContact O-N 3.13Å; S485-E488 VanDerWaalsContact O-N 3.15Å; S485-E488 WeakPolarHBondContact OG-CB 3.47Å; S485-E488 WeakPolarHBondContact OG-CG 3.36Å; S485-E488 PolarHBondContact OG-N 3.34Å; S485-E488 PolarHBondContact OG-OE1 3.12Å; S485-L489 PolarHBondContact O-N 2.99Å | ||
| 486 | D | 64.1 | Low | 57.2 | Low | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.2 | -24.3 | 176.5 | -70.6 | -33.8 | 0 | 0 | 0 | 112 | S490 | D486-S490 PolarHBondContact O-N 3.38Å; D486-S490 VanDerWaalsContact O-N 3.17Å; D486-S490 PolarHBondContact O-OG 2.95Å |
| 487 | Q | 67.4 | Low | 57.7 | Low | 117 Ų | 117 | 107.8 Ų | 107.8 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -50.8 | 176.5 | -171.7 | 65.3 | 30.8 | 0 | 0 | 112 | S485 L489 S490 E491 | S485-Q487 PolarHBondContact O-N 3.26Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 3.49Å; Q487-S490 PolarHBondContact O-N 3.04Å; Q487-S490 VanDerWaalsContact O-N 3.1Å; Q487-S490 PolarHBondContact O-OG 3.31Å; Q487-E491 PolarHBondContact NE2-OE1 2.8Å; Q487-E491 PolarHBondContact O-N 3.45Å |
| 488 | E | 61.5 | Low | 57.5 | Low | 69 Ų | 69 | 101.8 Ų | 101.8 | 32% | 0.322 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 178 | -80.2 | 168.3 | -131.2 | 0 | 0 | 111.9 | P482 S483 S485 S490 E491 L492 | P482-E488 HydrophobicContact CB-CB 4.47Å; S483-E488 WeakPolarHBondContact CA-OE2 3.46Å; S483-E488 VanDerWaalsContact CB-OE2 3.29Å; S483-E488 WeakPolarHBondContact CB-OE2 3.37Å; S483-E488 PolarHBondContact N-OE2 3.25Å; S485-E488 PolarHBondContact O-N 3.13Å; S485-E488 VanDerWaalsContact O-N 3.15Å; S485-E488 WeakPolarHBondContact OG-CB 3.47Å; S485-E488 WeakPolarHBondContact OG-CG 3.36Å; S485-E488 PolarHBondContact OG-N 3.34Å; S485-E488 PolarHBondContact OG-OE1 3.12Å; E488-S490 VanDerWaalsContact C-N 3.31Å; E488-S490 PolarHBondContact O-N 3.44Å; E488-E491 PolarHBondContact O-N 2.69Å; E488-L492 WeakPolarHBondContact O-CB 3.3Å; E488-L492 PolarHBondContact O-N 2.82Å |
| 489 | L | 63.6 | Low | 57 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.7 | -36 | 176.8 | -159.8 | 77.5 | 0 | 0 | 0 | 111.9 | S485 Q487 T493 | S485-L489 PolarHBondContact O-N 2.99Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-N 3.3Å |
| 490 | S | 67 | Low | 57.6 | Low | 50 Ų | 50 | 108.6 Ų | 108.6 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.9 | -38.1 | 175.3 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | D486 Q487 E488 T493 T494 | D486-S490 PolarHBondContact O-N 3.38Å; D486-S490 VanDerWaalsContact O-N 3.17Å; D486-S490 PolarHBondContact O-OG 2.95Å; Q487-S490 PolarHBondContact O-N 3.04Å; Q487-S490 VanDerWaalsContact O-N 3.1Å; Q487-S490 PolarHBondContact O-OG 3.31Å; E488-S490 VanDerWaalsContact C-N 3.31Å; E488-S490 PolarHBondContact O-N 3.44Å; S490-T493 PolarHBondContact O-N 3.05Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-T493 PolarHBondContact O-OG1 3.28Å; S490-T494 PolarHBondContact O-N 2.85Å; S490-T494 PolarHBondContact O-OG1 2.89Å |
| 491 | E | 65.1 | Low | 58.1 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66 | -39 | 175.9 | -72.4 | 171.4 | -162.1 | 0 | 0 | 111.6 | Q487 E488 T493 T494 M495 | Q487-E491 PolarHBondContact NE2-OE1 2.8Å; Q487-E491 PolarHBondContact O-N 3.45Å; E488-E491 PolarHBondContact O-N 2.69Å; E491-T493 VanDerWaalsContact C-N 3.25Å; E491-T493 PolarHBondContact O-N 2.95Å; E491-T494 WeakPolarHBondContact CA-OG1 3.3Å; E491-T494 PolarHBondContact O-N 3.46Å; E491-T494 VanDerWaalsContact O-N 3.08Å; E491-T494 PolarHBondContact O-OG1 3.39Å; E491-M495 WeakPolarHBondContact O-CG 3.43Å; E491-M495 PolarHBondContact O-N 3.03Å |
| 492 | L | 60.9 | Low | 58.5 | Low | 89 Ų | 89 | 103.6 Ų | 103.6 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.2 | -28.2 | 170.8 | -95.1 | 148.7 | 0 | 0 | 0 | 113.8 | P482 E488 | P482-L492 HydrophobicContact CB-CD1 3.57Å; P482-L492 HydrophobicContact CG-CD1 3.71Å; E488-L492 WeakPolarHBondContact O-CB 3.3Å; E488-L492 PolarHBondContact O-N 2.82Å |
| 493 | T | 64.6 | Low | 58.8 | Low | 99 Ų | 99 | 106.5 Ų | 106.5 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -80.6 | -19.6 | 174.5 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | L489 S490 E491 | L489-T493 PolarHBondContact O-N 3.3Å; S490-T493 PolarHBondContact O-N 3.05Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-T493 PolarHBondContact O-OG1 3.28Å; E491-T493 VanDerWaalsContact C-N 3.25Å; E491-T493 PolarHBondContact O-N 2.95Å |
| 494 | T | 69.3 | Low | 59.1 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -93.2 | -16.5 | 175.3 | 38.9 | 0 | 0 | 0 | 0 | 113.9 | S490 E491 | S490-T494 PolarHBondContact O-N 2.85Å; S490-T494 PolarHBondContact O-OG1 2.89Å; E491-T494 WeakPolarHBondContact CA-OG1 3.3Å; E491-T494 PolarHBondContact O-N 3.46Å; E491-T494 VanDerWaalsContact O-N 3.08Å; E491-T494 PolarHBondContact O-OG1 3.39Å |
| 495 | M | 58 | Low | 59.6 | Low | 72 Ų | 72 | 107.7 Ų | 107.7 | 36% | 0.355 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -56.7 | 133.8 | 172.5 | -74.2 | -94.6 | -78.3 | 0 | 0 | 110.1 | I474 E491 E497 | I474-M495 HydrophobicContact CD1-CE 4.12Å; I474-M495 HydrophobicContact CD1-SD 3.44Å; I474-M495 WeakPolarHBondContact CD1-SD 3.33Å; E491-M495 WeakPolarHBondContact O-CG 3.43Å; E491-M495 PolarHBondContact O-N 3.03Å; M495-E497 PolarHBondContact O-N 2.72Å |
| 496 | P | 58.6 | Low | 59.8 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 132.7 | 168.2 | 23.6 | -29.9 | 0 | 0 | 0 | 108.2 | P498 | P496-P498 WeakPolarHBondContact O-CD 3.14Å; P496-P498 VanDerWaalsContact O-N 3.13Å |
| 497 | E | 53.6 | Low | 59.4 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 120.5 | 179.9 | -84.3 | -172.4 | 158.3 | 0 | 0 | 109.2 | M495 W499 | M495-E497 PolarHBondContact O-N 2.72Å; E497-W499 PolarHBondContact O-N 3.44Å |
| 498 | P | 46.1 | Very low | 58.8 | Low | 80 Ų | 80 | 108.9 Ų | 108.9 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | trans | -83.7 | 86 | -178.9 | 32.6 | -31.1 | 0 | 0 | 0 | 108.7 | W470 P496 | W470-P498 HydrophobicContact CZ3-CG 4.45Å; P496-P498 WeakPolarHBondContact O-CD 3.14Å; P496-P498 VanDerWaalsContact O-N 3.13Å | ||
| 499 | W | 37.2 | Very low | 58.5 | Low | 268 Ų | 268 | 112.5 Ų | 112.5 | 100% | 1.015 | 59% | 0.586 | S | S | * | * | trans | -148.7 | 0 | 164.8 | -27.9 | 80.6 | 0 | 0 | 0 | 109.7 | E497 | E497-W499 PolarHBondContact O-N 3.44Š|
Retrieved 499 of 499 residues in 116.4 ms
(Link to these results)