| 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 | 33.8 | Very low | 57.5 | Low | 252 Ų | 252 | 93 Ų | 93 | 100% | 1.241 | 56% | 0.558 | S | S | * | * | 0 | 97.6 | 0 | -64.3 | 174.1 | -174 | 0 | 0 | 107.4 | |||||
| 2 | A | 39.5 | Very low | 60 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | trans | -150.6 | -8.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S4 | A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 3.47Å | ||
| 3 | N | 46.9 | Very low | 62.3 | Low | 137 Ų | 137 | 94.2 Ų | 94.2 | 73% | 0.733 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -6.4 | -163.8 | -72.2 | 48.6 | 0 | 0 | 0 | 116.5 | ||
| 4 | S | 45 | Very low | 64.4 | Low | 113 Ų | 113 | 90.3 Ų | 90.3 | 79% | 0.79 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -12.1 | -167.8 | -49.8 | 0 | 0 | 0 | 0 | 115.6 | A2 | A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 3.47Å |
| 5 | A | 44.1 | Very low | 66.1 | Low | 74 Ų | 74 | 87.3 Ų | 87.3 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -89.5 | -30.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 6 | N | 50.7 | Low | 67.7 | Low | 107 Ų | 107 | 85.4 Ų | 85.4 | 57% | 0.572 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -91.5 | -12.4 | -170.4 | -64.8 | 4.7 | 0 | 0 | 0 | 113.8 | N8 T9 | N6-N8 PolarHBondContact O-N 2.89Å; N6-N8 VanDerWaalsContact O-N 3.09Å; N6-T9 PolarHBondContact O-N 3.03Å; N6-T9 PolarHBondContact O-OG1 3.39Å |
| 7 | T | 55.4 | Low | 69.3 | Low | 82 Ų | 82 | 84.1 Ų | 84.1 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -64.1 | -17.9 | -179 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | P11 | T7-P11 WeakPolarHBondContact O-CD 3.44Š|
| 8 | N | 62 | Low | 70.7 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -96.7 | -1.4 | -179.3 | -129.3 | -103.6 | 0 | 0 | 0 | 114.1 | N6 K12 | N6-N8 PolarHBondContact O-N 2.89Å; N6-N8 VanDerWaalsContact O-N 3.09Å; N8-K12 VanDerWaalsContact O-CD 3.25Å; N8-K12 WeakPolarHBondContact O-CD 3.5Å; N8-K12 WeakPolarHBondContact O-CE 3.32Å; N8-K12 VanDerWaalsContact O-CG 3.28Å; N8-K12 WeakPolarHBondContact O-CG 3.42Å; N8-K12 WeakPolarHBondContact OD1-CE 3.49Å; N8-K12 PolarHBondContact OD1-NZ 3.26Å |
| 9 | T | 82.1 | Confident | 72 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -41.5 | 178.3 | 60 | 0 | 0 | 0 | 0 | 112.1 | N6 K12 L13 | N6-T9 PolarHBondContact O-N 3.03Å; N6-T9 PolarHBondContact O-OG1 3.39Å; T9-K12 PolarHBondContact O-N 3.18Å; T9-K12 VanDerWaalsContact O-N 3.13Å; T9-L13 PolarHBondContact O-N 2.97Å |
| 10 | V | 86.2 | Confident | 73.2 | Confident | 10 Ų | 10 | 78.7 Ų | 78.7 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 179.3 | -166.5 | 0 | 0 | 0 | 0 | 113 | K12 L13 Y14 V56 D364 I366 | V10-K12 PolarHBondContact O-N 3.2Å; V10-L13 PolarHBondContact O-N 3.46Å; V10-Y14 HydrophobicContact CG1-CD2 4.36Å; V10-Y14 HydrophobicContact CG1-CE1 4.36Å; V10-Y14 HydrophobicContact CG1-CE2 3.96Å; V10-Y14 PolarHBondContact O-N 3.44Å; V10-Y14 VanDerWaalsContact O-N 3.16Å; V10-V56 HydrophobicContact CG1-CG1 4.43Å; V10-V56 HydrophobicContact CG1-CG2 3.88Å; V10-D364 HydrophobicContact CG1-CB 3.87Å; V10-I366 HydrophobicContact CB-CD1 4Å; V10-I366 HydrophobicContact CG1-CD1 3.91Å; V10-I366 HydrophobicContact CG1-CG1 4.32Å; V10-I366 HydrophobicContact CG2-CD1 3.89Å; V10-I366 HydrophobicContact CG2-CG1 4.06Å |
| 11 | P | 87 | Confident | 74.3 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 7% | 0.071 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 177 | -14.3 | 25.1 | 0 | 0 | 0 | 112.8 | T7 R15 V56 F59 | T7-P11 WeakPolarHBondContact O-CD 3.44Å; P11-R15 WeakPolarHBondContact O-CB 3.43Å; P11-R15 VanDerWaalsContact O-CG 3.29Å; P11-R15 WeakPolarHBondContact O-CG 3.24Å; P11-R15 PolarHBondContact O-N 2.84Å; P11-R15 VanDerWaalsContact O-N 3.07Å; P11-V56 HydrophobicContact CB-CG1 3.86Å; P11-V56 HydrophobicContact CG-CG1 3.55Å; P11-F59 HydrophobicContact CB-CD2 4.12Å |
| 12 | K | 87.6 | Confident | 77.3 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -75.5 | -40.3 | -179.2 | -68.8 | 178.8 | -171.6 | 178.5 | 0 | 112.5 | N8 T9 V10 R15 S16 | N8-K12 VanDerWaalsContact O-CD 3.25Å; N8-K12 WeakPolarHBondContact O-CD 3.5Å; N8-K12 WeakPolarHBondContact O-CE 3.32Å; N8-K12 VanDerWaalsContact O-CG 3.28Å; N8-K12 WeakPolarHBondContact O-CG 3.42Å; N8-K12 WeakPolarHBondContact OD1-CE 3.49Å; N8-K12 PolarHBondContact OD1-NZ 3.26Å; T9-K12 PolarHBondContact O-N 3.18Å; T9-K12 VanDerWaalsContact O-N 3.13Å; V10-K12 PolarHBondContact O-N 3.2Å; K12-R15 PolarHBondContact O-N 3.36Å; K12-S16 PolarHBondContact O-N 3.49Å |
| 13 | L | 89.5 | Confident | 80 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 175.5 | -176.5 | 67.7 | 0 | 0 | 0 | 110.1 | T9 V10 R15 S16 V17 I366 | T9-L13 PolarHBondContact O-N 2.97Å; V10-L13 PolarHBondContact O-N 3.46Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 2.98Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.14Å; L13-S16 VanDerWaalsContact O-N 3.12Å; L13-V17 HydrophobicContact CD1-CG2 4.38Å; L13-V17 HydrophobicContact CG-CG2 4.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.18Å; L13-V17 PolarHBondContact O-N 2.86Å; L13-I366 HydrophobicContact CB-CD1 3.92Å; L13-I366 HydrophobicContact CD2-CD1 3.52Å; L13-I366 HydrophobicContact CD2-CG1 4.42Å; L13-I366 HydrophobicContact CG-CD1 4.34Å |
| 14 | Y | 91.8 | Very high | 82.3 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 179.4 | -67.2 | -4 | 0 | 0 | 0 | 111.8 | V10 I18 L50 V56 D364 | V10-Y14 HydrophobicContact CG1-CD2 4.36Å; V10-Y14 HydrophobicContact CG1-CE1 4.36Å; V10-Y14 HydrophobicContact CG1-CE2 3.96Å; V10-Y14 PolarHBondContact O-N 3.44Å; V10-Y14 VanDerWaalsContact O-N 3.16Å; Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CD1 3.29Å; Y14-I18 WeakPolarHBondContact O-CD1 3.49Å; Y14-I18 WeakPolarHBondContact O-CG1 3.45Å; Y14-I18 PolarHBondContact O-N 3.36Å; Y14-L50 HydrophobicContact CD2-CD1 3.69Å; Y14-L50 HydrophobicContact CD2-CD2 3.8Å; Y14-L50 HydrophobicContact CD2-CG 4.25Å; Y14-L50 HydrophobicContact CE2-CD1 3.93Å; Y14-L50 HydrophobicContact CG-CD2 4.41Å; Y14-V56 HydrophobicContact CD2-CG2 3.6Å; Y14-V56 HydrophobicContact CE2-CG2 3.37Å; Y14-D364 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D364 WeakPolarHBondContact CE2-OD2 3.2Å; Y14-D364 VanDerWaalsContact OH-CG 3.31Å; Y14-D364 PolarHBondContact OH-OD2 2.8Å |
| 15 | R | 90 | Very high | 84.8 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 169.6 | -79.1 | -174.7 | 177 | -59.4 | -32.5 | 112.5 | P11 K12 L13 V17 I18 E19 E47 F59 H60 S61 | P11-R15 WeakPolarHBondContact O-CB 3.43Å; P11-R15 VanDerWaalsContact O-CG 3.29Å; P11-R15 WeakPolarHBondContact O-CG 3.24Å; P11-R15 PolarHBondContact O-N 2.84Å; P11-R15 VanDerWaalsContact O-N 3.07Å; K12-R15 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 2.98Å; R15-V17 PolarHBondContact O-N 3.17Å; R15-I18 PolarHBondContact O-N 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.1Å; R15-E47 IonicContact CZ-OE1 3.84Å; R15-E47 IonicContact NH1-OE1 3.96Å; R15-E47 PolarHBondContact NH1-OE1 2.99Å; R15-E47 IonicContact NH2-OE1 2.9Å; R15-E47 PolarHBondContact NH2-OE1 2.95Å; R15-F59 HydrophobicContact CG-CD2 4.38Å; R15-F59 HydrophobicContact CG-CE2 3.52Å; R15-F59 HydrophobicContact CG-CZ 3.83Å; R15-F59 VanDerWaalsContact NH2-CD1 3.34Å; R15-H60 VanDerWaalsContact CZ-O 3.32Å; R15-H60 PolarHBondContact NE-O 3.06Å; R15-H60 VanDerWaalsContact NH2-C 3.26Å; R15-H60 PolarHBondContact NH2-O 3.09Å; R15-H60 VanDerWaalsContact NH2-O 3.14Å; R15-S61 VanDerWaalsContact NH2-CA 3.34Å |
| 16 | S | 92.5 | Very high | 87.2 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.9 | -57.6 | 176.8 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | K12 L13 I18 E19 D20 | K12-S16 PolarHBondContact O-N 3.49Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.14Å; L13-S16 VanDerWaalsContact O-N 3.12Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.14Å; S16-E19 PolarHBondContact O-N 3.14Å; S16-D20 WeakPolarHBondContact O-CB 3.29Å; S16-D20 PolarHBondContact O-N 3.44Å; S16-D20 PolarHBondContact OG-OD2 3.03Å |
| 17 | V | 94.4 | Very high | 89.3 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 38% | 0.376 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.5 | -36.3 | -177.8 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | L13 R15 V21 W46 | L13-V17 HydrophobicContact CD1-CG2 4.38Å; L13-V17 HydrophobicContact CG-CG2 4.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.18Å; L13-V17 PolarHBondContact O-N 2.86Å; R15-V17 PolarHBondContact O-N 3.17Å; V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.36Å; V17-W46 HydrophobicContact CG1-CH2 4.46Å |
| 18 | I | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 174.9 | -70.9 | 163.5 | 0 | 0 | 0 | 111.5 | Y14 R15 S16 I22 K43 W46 L50 F59 | Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CD1 3.29Å; Y14-I18 WeakPolarHBondContact O-CD1 3.49Å; Y14-I18 WeakPolarHBondContact O-CG1 3.45Å; Y14-I18 PolarHBondContact O-N 3.36Å; R15-I18 PolarHBondContact O-N 3.29Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.14Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.07Å; I18-K43 HydrophobicContact CG2-CG 4.06Å; I18-W46 HydrophobicContact CB-CE3 4.31Å; I18-W46 HydrophobicContact CB-CH2 4.28Å; I18-W46 HydrophobicContact CB-CZ3 4.08Å; I18-W46 HydrophobicContact CD1-CD2 4.25Å; I18-W46 HydrophobicContact CD1-CZ2 4.48Å; I18-W46 HydrophobicContact CG1-CD2 3.72Å; I18-W46 HydrophobicContact CG1-CE3 3.75Å; I18-W46 HydrophobicContact CG1-CG 4.47Å; I18-W46 HydrophobicContact CG1-CH2 3.61Å; I18-W46 HydrophobicContact CG1-CZ2 3.58Å; I18-W46 HydrophobicContact CG1-CZ3 3.7Å; I18-W46 HydrophobicContact CG2-CE3 4.09Å; I18-W46 HydrophobicContact CG2-CZ3 4.22Å; I18-L50 HydrophobicContact CD1-CD2 4.31Å; I18-F59 HydrophobicContact CD1-CE2 4.34Å; I18-F59 HydrophobicContact CD1-CZ 3.71Å |
| 19 | E | 95 | Very high | 92.8 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 177.6 | -61.1 | -58.8 | 163 | 0 | 0 | 111.4 | R15 S16 I22 N23 K43 | R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.1Å; S16-E19 PolarHBondContact O-N 3.14Å; E19-I22 PolarHBondContact O-N 2.84Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.29Å; E19-K43 VanDerWaalsContact OE1-CE 3.26Å; E19-K43 WeakPolarHBondContact OE1-CE 3.13Å; E19-K43 IonicContact OE1-NZ 3.53Å; E19-K43 PolarHBondContact OE1-NZ 3Å; E19-K43 IonicContact OE2-NZ 2.69Å; E19-K43 PolarHBondContact OE2-NZ 3.43Å |
| 20 | D | 96.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -54 | -179.8 | -59.1 | -31.3 | 0 | 0 | 0 | 109.7 | S16 I22 N23 D24 | S16-D20 WeakPolarHBondContact O-CB 3.29Å; S16-D20 PolarHBondContact O-N 3.44Å; S16-D20 PolarHBondContact OG-OD2 3.03Å; D20-I22 PolarHBondContact O-N 3.32Å; D20-N23 PolarHBondContact O-N 3.47Å; D20-D24 PolarHBondContact O-N 3.46Å |
| 21 | V | 96.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 176.7 | 170 | 0 | 0 | 0 | 0 | 112.4 | V17 N23 D24 V25 W46 | V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.36Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.24Å; V21-D24 PolarHBondContact O-N 2.86Å; V21-V25 HydrophobicContact CG1-CG1 4.39Å; V21-V25 WeakPolarHBondContact O-CG1 3.15Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 3.12Å; V21-W46 HydrophobicContact CB-CH2 4.27Å; V21-W46 HydrophobicContact CB-CZ3 4.13Å; V21-W46 HydrophobicContact CG1-CH2 4.4Å; V21-W46 HydrophobicContact CG1-CZ3 4.05Å; V21-W46 HydrophobicContact CG2-CH2 4.4Å |
| 22 | I | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69 | -29.6 | -179.9 | -70.5 | -69.5 | 0 | 0 | 0 | 112 | I18 E19 D20 L39 M40 L42 K43 | I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.07Å; E19-I22 PolarHBondContact O-N 2.84Å; D20-I22 PolarHBondContact O-N 3.32Å; I22-L39 HydrophobicContact CD1-CD1 3.66Å; I22-L39 HydrophobicContact CD1-CG 4.34Å; I22-L39 HydrophobicContact CG2-CD1 4.27Å; I22-L39 HydrophobicContact CG2-CD2 4.32Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; I22-M40 HydrophobicContact CG2-CE 3.87Å; I22-L42 HydrophobicContact CD1-CD2 4.37Å; I22-L42 HydrophobicContact CD1-CG 4.4Å; I22-K43 HydrophobicContact CD1-CB 3.82Å; I22-K43 HydrophobicContact CG1-CB 3.99Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.2Å; I22-K43 HydrophobicContact CG2-CD 4.29Å |
| 23 | N | 95.4 | Very high | 94.3 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -75.6 | -44.4 | 173.3 | -70.5 | -44.3 | 0 | 0 | 0 | 111.5 | E19 D20 V21 V25 R26 | E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.29Å; D20-N23 PolarHBondContact O-N 3.47Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.24Å; N23-V25 PolarHBondContact O-N 3.5Å; N23-R26 WeakPolarHBondContact O-CB 3.27Å; N23-R26 PolarHBondContact O-N 3.1Å |
| 24 | D | 96.4 | Very high | 94.5 | Very high | 126 Ų | 126 | 69.5 Ų | 69.5 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | -178.5 | -69.9 | -15.1 | 0 | 0 | 0 | 112.7 | D20 V21 R26 | D20-D24 PolarHBondContact O-N 3.46Å; V21-D24 PolarHBondContact O-N 2.86Å; D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 3.06Å |
| 25 | V | 96.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 72.7 Ų | 72.7 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | 178.3 | -51.7 | 0 | 0 | 0 | 0 | 113.6 | V21 N23 D27 I28 F29 L39 | V21-V25 HydrophobicContact CG1-CG1 4.39Å; V21-V25 WeakPolarHBondContact O-CG1 3.15Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 3.12Å; N23-V25 PolarHBondContact O-N 3.5Å; V25-D27 PolarHBondContact O-N 3.2Å; V25-I28 PolarHBondContact O-N 2.84Å; V25-F29 HydrophobicContact CB-CD2 4.29Å; V25-F29 HydrophobicContact CB-CE2 4.33Å; V25-F29 HydrophobicContact CG2-CD2 4.11Å; V25-F29 HydrophobicContact CG2-CE2 3.98Å; V25-F29 VanDerWaalsContact O-CD2 3.29Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 3.09Å; V25-L39 HydrophobicContact CG2-CD1 3.59Å |
| 26 | R | 95.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 74.6 Ų | 74.6 | 25% | 0.253 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.2 | -50.4 | -178.1 | 175.4 | -178.2 | -75.2 | -84.7 | -5.5 | 112 | N23 D24 I28 F29 L30 E36 L39 | N23-R26 WeakPolarHBondContact O-CB 3.27Å; N23-R26 PolarHBondContact O-N 3.1Å; D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 3.06Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.88Å; R26-F29 PolarHBondContact O-N 3.42Å; R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.25Å; R26-L30 VanDerWaalsContact O-N 3.12Å; R26-E36 IonicContact CZ-OE1 3.52Å; R26-E36 IonicContact NH1-OE1 3.19Å; R26-E36 PolarHBondContact NH1-OE1 3.06Å; R26-E36 IonicContact NH1-OE2 2.82Å; R26-E36 IonicContact NH2-OE1 3.45Å; R26-E36 PolarHBondContact NH2-OE1 3.11Å; R26-L39 HydrophobicContact CB-CD2 3.98Å; R26-L39 HydrophobicContact CG-CD2 4.25Å |
| 27 | D | 93.7 | Very high | 94.7 | Very high | 103 Ų | 103 | 78.7 Ų | 78.7 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.5 | -36 | -176.4 | -63.3 | -26 | 0 | 0 | 0 | 110.6 | V25 F29 L30 D31 | V25-D27 PolarHBondContact O-N 3.2Å; D27-F29 PolarHBondContact O-N 2.98Å; D27-L30 PolarHBondContact O-N 2.7Å; D27-L30 VanDerWaalsContact O-N 3.17Å; D27-D31 WeakPolarHBondContact O-CB 3.46Å; D27-D31 PolarHBondContact O-N 3.05Å |
| 28 | I | 95.9 | Very high | 94.7 | Very high | 100 Ų | 100 | 79 Ų | 79 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.2 | -49.4 | 179.3 | 0 | 0 | 0 | 111.2 | V25 R26 L30 D31 D32 | V25-I28 PolarHBondContact O-N 2.84Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.88Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.85Å; I28-D31 PolarHBondContact O-N 3.28Å; I28-D32 PolarHBondContact O-N 3.46Å; I28-D32 VanDerWaalsContact O-N 3.09Å |
| 29 | F | 94.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 79 Ų | 79 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.3 | -89.2 | -122 | 0 | 0 | 0 | 111.8 | V25 R26 D27 G33 V34 V38 L39 L42 | V25-F29 HydrophobicContact CB-CD2 4.29Å; V25-F29 HydrophobicContact CB-CE2 4.33Å; V25-F29 HydrophobicContact CG2-CD2 4.11Å; V25-F29 HydrophobicContact CG2-CE2 3.98Å; V25-F29 VanDerWaalsContact O-CD2 3.29Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 3.09Å; R26-F29 PolarHBondContact O-N 3.42Å; D27-F29 PolarHBondContact O-N 2.98Å; F29-G33 PolarHBondContact O-N 2.89Å; F29-V34 HydrophobicContact CB-CB 4.31Å; F29-V34 HydrophobicContact CD1-CB 4Å; F29-V34 HydrophobicContact CD1-CG1 3.68Å; F29-V34 HydrophobicContact CE1-CG1 4.17Å; F29-V34 HydrophobicContact CG-CB 4.44Å; F29-V34 WeakPolarHBondContact O-CA 3.31Å; F29-V34 WeakPolarHBondContact O-CB 3.39Å; F29-V34 PolarHBondContact O-N 3.44Å; F29-V38 HydrophobicContact CE1-CG1 4.33Å; F29-L39 HydrophobicContact CD1-CB 3.92Å; F29-L39 HydrophobicContact CD1-CD1 4.27Å; F29-L39 HydrophobicContact CD2-CD1 4.31Å; F29-L39 HydrophobicContact CE1-CB 4.22Å; F29-L39 HydrophobicContact CE1-CD1 4.23Å; F29-L39 HydrophobicContact CE2-CD1 4.26Å; F29-L39 HydrophobicContact CG-CB 4.47Å; F29-L39 HydrophobicContact CG-CD1 4.31Å; F29-L39 HydrophobicContact CZ-CD1 4.22Å; F29-L42 HydrophobicContact CZ-CD2 3.98Å |
| 30 | L | 93 | Very high | 94.7 | Very high | 89 Ų | 89 | 78.9 Ų | 78.9 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 178.4 | -67.6 | 173.4 | 0 | 0 | 0 | 112.3 | R26 D27 I28 G33 | R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.25Å; R26-L30 VanDerWaalsContact O-N 3.12Å; D27-L30 PolarHBondContact O-N 2.7Å; D27-L30 VanDerWaalsContact O-N 3.17Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.85Å; L30-G33 WeakPolarHBondContact O-CA 3.19Å; L30-G33 PolarHBondContact O-N 3.19Å |
| 31 | D | 94.5 | Very high | 94.6 | Very high | 145 Ų | 145 | 80.4 Ų | 80.4 | 78% | 0.775 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 177.6 | -79.6 | -13.4 | 0 | 0 | 0 | 112.4 | D27 I28 G33 | D27-D31 WeakPolarHBondContact O-CB 3.46Å; D27-D31 PolarHBondContact O-N 3.05Å; I28-D31 PolarHBondContact O-N 3.28Å; D31-G33 PolarHBondContact O-N 3.48Å |
| 32 | D | 94.8 | Very high | 94.5 | Very high | 136 Ų | 136 | 81.3 Ų | 81.3 | 73% | 0.727 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.9 | 170.8 | -91.1 | -14.1 | 0 | 0 | 0 | 113.2 | I28 V34 | I28-D32 PolarHBondContact O-N 3.46Å; I28-D32 VanDerWaalsContact O-N 3.09Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 HydrophobicContact CB-CG2 4.02Å |
| 33 | G | 92.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 83.1 Ų | 83.1 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 22.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F29 L30 D31 | F29-G33 PolarHBondContact O-N 2.89Å; L30-G33 WeakPolarHBondContact O-CA 3.19Å; L30-G33 PolarHBondContact O-N 3.19Å; D31-G33 PolarHBondContact O-N 3.48Å |
| 34 | V | 94.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 82.8 Ų | 82.8 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | trans | -81.2 | 133.1 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | F29 D32 V38 | F29-V34 HydrophobicContact CB-CB 4.31Å; F29-V34 HydrophobicContact CD1-CB 4Å; F29-V34 HydrophobicContact CD1-CG1 3.68Å; F29-V34 HydrophobicContact CE1-CG1 4.17Å; F29-V34 HydrophobicContact CG-CB 4.44Å; F29-V34 WeakPolarHBondContact O-CA 3.31Å; F29-V34 WeakPolarHBondContact O-CB 3.39Å; F29-V34 PolarHBondContact O-N 3.44Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 HydrophobicContact CB-CG2 4.02Å; V34-V38 HydrophobicContact CG1-CB 3.73Å; V34-V38 HydrophobicContact CG1-CG1 3.98Å; V34-V38 HydrophobicContact CG1-CG2 3.93Å | ||
| 35 | D | 92.5 | Very high | 94.2 | Very high | 107 Ų | 107 | 81.1 Ų | 81.1 | 57% | 0.572 | 43% | 0.434 | S | S | * | . | trans | -63.8 | 135.3 | 178.5 | -166.8 | -59.7 | 0 | 0 | 0 | 111.2 | Q37 V38 | D35-Q37 PolarHBondContact O-N 3.45Å; D35-Q37 VanDerWaalsContact O-N 3.07Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 2.92Å; D35-V38 HydrophobicContact CB-CG2 4.38Å; D35-V38 VanDerWaalsContact O-CB 3.31Å; D35-V38 WeakPolarHBondContact O-CB 3.25Å; D35-V38 PolarHBondContact O-N 2.69Å | ||
| 36 | E | 93 | Very high | 94.1 | Very high | 85 Ų | 85 | 83.7 Ų | 83.7 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55.4 | -27.4 | 178 | -174.4 | -179.6 | 167.5 | 0 | 0 | 112.3 | R26 V38 L39 M40 | R26-E36 IonicContact CZ-OE1 3.52Å; R26-E36 IonicContact NH1-OE1 3.19Å; R26-E36 PolarHBondContact NH1-OE1 3.06Å; R26-E36 IonicContact NH1-OE2 2.82Å; R26-E36 IonicContact NH2-OE1 3.45Å; R26-E36 PolarHBondContact NH2-OE1 3.11Å; E36-V38 PolarHBondContact O-N 2.84Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.37Å; E36-L39 VanDerWaalsContact O-N 3.09Å; E36-M40 WeakPolarHBondContact O-CG 3.1Å; E36-M40 PolarHBondContact O-N 3.32Å |
| 37 | Q | 93 | Very high | 93.9 | Very high | 144 Ų | 144 | 81.4 Ų | 81.4 | 67% | 0.673 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.7 | -31.8 | 173.4 | -162.9 | -171.1 | -65.6 | 0 | 0 | 112.4 | D35 M40 E41 | D35-Q37 PolarHBondContact O-N 3.45Å; D35-Q37 VanDerWaalsContact O-N 3.07Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 2.92Å; Q37-M40 PolarHBondContact O-N 2.89Å; Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å |
| 38 | V | 94.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 79.6 Ų | 79.6 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 176.1 | -176 | 0 | 0 | 0 | 0 | 110.9 | F29 V34 D35 E36 M40 E41 L42 | F29-V38 HydrophobicContact CE1-CG1 4.33Å; V34-V38 HydrophobicContact CG1-CB 3.73Å; V34-V38 HydrophobicContact CG1-CG1 3.98Å; V34-V38 HydrophobicContact CG1-CG2 3.93Å; D35-V38 HydrophobicContact CB-CG2 4.38Å; D35-V38 VanDerWaalsContact O-CB 3.31Å; D35-V38 WeakPolarHBondContact O-CB 3.25Å; D35-V38 PolarHBondContact O-N 2.69Å; E36-V38 PolarHBondContact O-N 2.84Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-E41 PolarHBondContact O-N 3.31Å; V38-L42 PolarHBondContact O-N 3.34Å |
| 39 | L | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.8 | -178.3 | 63.9 | 0 | 0 | 0 | 111.2 | I22 V25 R26 F29 E36 L42 K43 | I22-L39 HydrophobicContact CD1-CD1 3.66Å; I22-L39 HydrophobicContact CD1-CG 4.34Å; I22-L39 HydrophobicContact CG2-CD1 4.27Å; I22-L39 HydrophobicContact CG2-CD2 4.32Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; V25-L39 HydrophobicContact CG2-CD1 3.59Å; R26-L39 HydrophobicContact CB-CD2 3.98Å; R26-L39 HydrophobicContact CG-CD2 4.25Å; F29-L39 HydrophobicContact CD1-CB 3.92Å; F29-L39 HydrophobicContact CD1-CD1 4.27Å; F29-L39 HydrophobicContact CD2-CD1 4.31Å; F29-L39 HydrophobicContact CE1-CB 4.22Å; F29-L39 HydrophobicContact CE1-CD1 4.23Å; F29-L39 HydrophobicContact CE2-CD1 4.26Å; F29-L39 HydrophobicContact CG-CB 4.47Å; F29-L39 HydrophobicContact CG-CD1 4.31Å; F29-L39 HydrophobicContact CZ-CD1 4.22Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.37Å; E36-L39 VanDerWaalsContact O-N 3.09Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 2.79Å; L39-K43 PolarHBondContact O-N 2.96Å |
| 40 | M | 93.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 80.7 Ų | 80.7 | 32% | 0.315 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69 | -34 | 173.8 | -64.1 | -58.4 | 102.2 | 0 | 0 | 112.4 | I22 E36 Q37 V38 T44 | I22-M40 HydrophobicContact CG2-CE 3.87Å; E36-M40 WeakPolarHBondContact O-CG 3.1Å; E36-M40 PolarHBondContact O-N 3.32Å; Q37-M40 PolarHBondContact O-N 2.89Å; V38-M40 VanDerWaalsContact C-N 3.34Å; M40-T44 VanDerWaalsContact O-CB 3.32Å; M40-T44 WeakPolarHBondContact O-CB 3.17Å; M40-T44 PolarHBondContact O-N 2.74Å; M40-T44 PolarHBondContact O-OG1 2.88Å |
| 41 | E | 94.1 | Very high | 92.7 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 171.5 | -174.7 | 172 | 177.8 | 0 | 0 | 110.9 | Q37 V38 K43 T44 L45 | Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å; V38-E41 PolarHBondContact O-N 3.31Å; E41-K43 PolarHBondContact O-N 3.4Å; E41-T44 PolarHBondContact O-N 2.89Å; E41-L45 HydrophobicContact CG-CD1 3.91Å; E41-L45 HydrophobicContact CG-CG 4.21Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.37Å |
| 42 | L | 95.7 | Very high | 92.1 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 174.2 | 173.6 | 61.3 | 0 | 0 | 0 | 111.3 | I22 F29 V38 L39 T44 L45 W46 | I22-L42 HydrophobicContact CD1-CD2 4.37Å; I22-L42 HydrophobicContact CD1-CG 4.4Å; F29-L42 HydrophobicContact CZ-CD2 3.98Å; V38-L42 PolarHBondContact O-N 3.34Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 2.79Å; L42-T44 VanDerWaalsContact C-N 3.32Å; L42-T44 PolarHBondContact O-N 3.21Å; L42-L45 PolarHBondContact O-N 3.5Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.86Å |
| 43 | K | 94.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 75.3 Ų | 75.3 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.3 | -49.2 | 174.7 | -178.2 | 175.8 | 175.9 | 175.9 | 0 | 111.3 | I18 E19 I22 L39 E41 L45 W46 E47 | I18-K43 HydrophobicContact CG2-CG 4.06Å; E19-K43 VanDerWaalsContact OE1-CE 3.26Å; E19-K43 WeakPolarHBondContact OE1-CE 3.13Å; E19-K43 IonicContact OE1-NZ 3.53Å; E19-K43 PolarHBondContact OE1-NZ 3Å; E19-K43 IonicContact OE2-NZ 2.69Å; E19-K43 PolarHBondContact OE2-NZ 3.43Å; I22-K43 HydrophobicContact CD1-CB 3.82Å; I22-K43 HydrophobicContact CG1-CB 3.99Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.2Å; I22-K43 HydrophobicContact CG2-CD 4.29Å; L39-K43 PolarHBondContact O-N 2.96Å; E41-K43 PolarHBondContact O-N 3.4Å; K43-L45 PolarHBondContact O-N 3.02Å; K43-W46 PolarHBondContact O-N 3.3Å; K43-E47 PolarHBondContact O-N 2.89Å |
| 44 | T | 92.2 | Very high | 91 | Very high | 73 Ų | 73 | 81.5 Ų | 81.5 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | -179.4 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | M40 E41 L42 N48 | M40-T44 VanDerWaalsContact O-CB 3.32Å; M40-T44 WeakPolarHBondContact O-CB 3.17Å; M40-T44 PolarHBondContact O-N 2.74Å; M40-T44 PolarHBondContact O-OG1 2.88Å; E41-T44 PolarHBondContact O-N 2.89Å; L42-T44 VanDerWaalsContact C-N 3.32Å; L42-T44 PolarHBondContact O-N 3.21Å; T44-N48 WeakPolarHBondContact CG2-ND2 3.46Å; T44-N48 WeakPolarHBondContact O-CB 3.11Å; T44-N48 PolarHBondContact O-N 2.84Å; T44-N48 PolarHBondContact O-ND2 3.16Å |
| 45 | L | 93.9 | Very high | 90.2 | Very high | 91 Ų | 91 | 79.6 Ų | 79.6 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 177.9 | -73.1 | 174 | 0 | 0 | 0 | 111.8 | E41 L42 K43 N48 K49 | E41-L45 HydrophobicContact CG-CD1 3.91Å; E41-L45 HydrophobicContact CG-CG 4.21Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.5Å; K43-L45 PolarHBondContact O-N 3.02Å; L45-N48 PolarHBondContact O-N 2.96Å; L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.24Å |
| 46 | W | 94.2 | Very high | 89.4 | Confident | 91 Ų | 91 | 75 Ų | 75 | 35% | 0.345 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.3 | -50.6 | 176.6 | -172.8 | 7.5 | 0 | 0 | 0 | 111.5 | V17 I18 V21 L42 K43 N48 K49 L50 | V17-W46 HydrophobicContact CG1-CH2 4.46Å; I18-W46 HydrophobicContact CB-CE3 4.31Å; I18-W46 HydrophobicContact CB-CH2 4.28Å; I18-W46 HydrophobicContact CB-CZ3 4.08Å; I18-W46 HydrophobicContact CD1-CD2 4.25Å; I18-W46 HydrophobicContact CD1-CZ2 4.48Å; I18-W46 HydrophobicContact CG1-CD2 3.72Å; I18-W46 HydrophobicContact CG1-CE3 3.75Å; I18-W46 HydrophobicContact CG1-CG 4.47Å; I18-W46 HydrophobicContact CG1-CH2 3.61Å; I18-W46 HydrophobicContact CG1-CZ2 3.58Å; I18-W46 HydrophobicContact CG1-CZ3 3.7Å; I18-W46 HydrophobicContact CG2-CE3 4.09Å; I18-W46 HydrophobicContact CG2-CZ3 4.22Å; V21-W46 HydrophobicContact CB-CH2 4.27Å; V21-W46 HydrophobicContact CB-CZ3 4.13Å; V21-W46 HydrophobicContact CG1-CH2 4.4Å; V21-W46 HydrophobicContact CG1-CZ3 4.05Å; V21-W46 HydrophobicContact CG2-CH2 4.4Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.86Å; K43-W46 PolarHBondContact O-N 3.3Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 3.02Å; W46-K49 PolarHBondContact O-N 3.25Å; W46-L50 WeakPolarHBondContact O-CB 3.33Å; W46-L50 PolarHBondContact O-N 3.38Å |
| 47 | E | 91.5 | Very high | 88.1 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.5 | -43.7 | 173.7 | -73.6 | -148.9 | 123.8 | 0 | 0 | 111.7 | R15 K43 L50 M51 F59 S61 | R15-E47 IonicContact CZ-OE1 3.84Å; R15-E47 IonicContact NH1-OE1 3.96Å; R15-E47 PolarHBondContact NH1-OE1 2.99Å; R15-E47 IonicContact NH2-OE1 2.9Å; R15-E47 PolarHBondContact NH2-OE1 2.95Å; K43-E47 PolarHBondContact O-N 2.89Å; E47-L50 PolarHBondContact O-N 3.13Å; E47-M51 WeakPolarHBondContact O-CG 3.32Å; E47-M51 PolarHBondContact O-N 3.38Å; E47-F59 HydrophobicContact CB-CE1 3.95Å; E47-F59 HydrophobicContact CG-CE1 3.81Å; E47-F59 HydrophobicContact CG-CZ 4.2Å; E47-F59 WeakPolarHBondContact OE1-CE1 3.29Å; E47-S61 WeakPolarHBondContact OE2-CB 3.29Å; E47-S61 PolarHBondContact OE2-OG 2.63Å |
| 48 | N | 89.3 | Confident | 86.6 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 179 | -83.6 | -68.3 | 0 | 0 | 0 | 113 | T44 L45 W46 L50 M51 Q52 | T44-N48 WeakPolarHBondContact CG2-ND2 3.46Å; T44-N48 WeakPolarHBondContact O-CB 3.11Å; T44-N48 PolarHBondContact O-N 2.84Å; T44-N48 PolarHBondContact O-ND2 3.16Å; L45-N48 PolarHBondContact O-N 2.96Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 3.02Å; N48-L50 VanDerWaalsContact C-N 3.34Å; N48-M51 PolarHBondContact O-N 2.81Å; N48-M51 WeakPolarHBondContact OD1-CE 3.37Å; N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 2.85Å; N48-Q52 PolarHBondContact O-NE2 2.8Å |
| 49 | K | 90.2 | Very high | 85 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 174.4 | -79 | -178.6 | 175.7 | -171.7 | 0 | 111.6 | L45 W46 Q52 S53 | L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.24Å; W46-K49 PolarHBondContact O-N 3.25Å; K49-Q52 PolarHBondContact O-N 3.19Å; K49-S53 PolarHBondContact O-N 3.28Å |
| 50 | L | 89.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.12 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176 | -167.7 | 77.8 | 0 | 0 | 0 | 112 | Y14 I18 W46 E47 N48 S53 F59 | Y14-L50 HydrophobicContact CD2-CD1 3.69Å; Y14-L50 HydrophobicContact CD2-CD2 3.8Å; Y14-L50 HydrophobicContact CD2-CG 4.25Å; Y14-L50 HydrophobicContact CE2-CD1 3.93Å; Y14-L50 HydrophobicContact CG-CD2 4.41Å; I18-L50 HydrophobicContact CD1-CD2 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.33Å; W46-L50 PolarHBondContact O-N 3.38Å; E47-L50 PolarHBondContact O-N 3.13Å; N48-L50 VanDerWaalsContact C-N 3.34Å; L50-S53 PolarHBondContact O-OG 2.9Å; L50-F59 HydrophobicContact CD2-CD1 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.45Å; L50-F59 VanDerWaalsContact CD2-CD2 3.45Å; L50-F59 HydrophobicContact CD2-CE1 3.69Å; L50-F59 HydrophobicContact CD2-CE2 3.36Å; L50-F59 HydrophobicContact CD2-CG 3.66Å; L50-F59 HydrophobicContact CD2-CZ 3.51Å |
| 51 | M | 82.9 | Confident | 81.9 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 170.9 | -72.1 | -173.8 | -73.2 | 0 | 0 | 112.4 | E47 N48 R54 F59 | E47-M51 WeakPolarHBondContact O-CG 3.32Å; E47-M51 PolarHBondContact O-N 3.38Å; N48-M51 PolarHBondContact O-N 2.81Å; N48-M51 WeakPolarHBondContact OD1-CE 3.37Å; M51-R54 PolarHBondContact O-N 2.93Å; M51-F59 HydrophobicContact CG-CD1 4.03Å; M51-F59 WeakPolarHBondContact CG-O 3.34Å |
| 52 | Q | 82.9 | Confident | 80.3 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 66% | 0.659 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70 | -29.8 | -179.1 | -75.7 | 169.9 | 47.9 | 0 | 0 | 113.6 | N48 K49 R54 | N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 2.85Å; N48-Q52 PolarHBondContact O-NE2 2.8Å; K49-Q52 PolarHBondContact O-N 3.19Å; Q52-R54 PolarHBondContact O-N 3.32Å |
| 53 | S | 83.1 | Confident | 78.4 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -24.1 | 175.4 | 76.7 | 0 | 0 | 0 | 0 | 112.5 | K49 L50 A55 | K49-S53 PolarHBondContact O-N 3.28Å; L50-S53 PolarHBondContact O-OG 2.9Å; S53-A55 PolarHBondContact O-N 3.21Å; S53-A55 VanDerWaalsContact O-N 3.12Å; S53-A55 WeakPolarHBondContact OG-CB 3.36Å; S53-A55 PolarHBondContact OG-N 2.95Å |
| 54 | R | 80.4 | Confident | 76.7 | Confident | 198 Ų | 198 | 75.2 Ų | 75.2 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | trans | 58.5 | 9.7 | -171.1 | -50.2 | -170.5 | -174.8 | 110.2 | 2.4 | 114.8 | M51 Q52 V56 | M51-R54 PolarHBondContact O-N 2.93Å; Q52-R54 PolarHBondContact O-N 3.32Å; R54-V56 PolarHBondContact O-N 3.3Å | ||
| 55 | A | 77.7 | Confident | 75.1 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | trans | -67.2 | -28.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | S53 G362 R363 D364 | S53-A55 PolarHBondContact O-N 3.21Å; S53-A55 VanDerWaalsContact O-N 3.12Å; S53-A55 WeakPolarHBondContact OG-CB 3.36Å; S53-A55 PolarHBondContact OG-N 2.95Å; A55-G362 WeakPolarHBondContact CA-O 3.5Å; A55-R363 WeakPolarHBondContact O-CA 3.42Å; A55-D364 HydrophobicContact CB-CB 4.41Å; A55-D364 WeakPolarHBondContact CB-OD2 3.32Å; A55-D364 PolarHBondContact O-N 3.4Å | ||
| 56 | V | 75.4 | Confident | 73.4 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -116.1 | 102.1 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | V10 P11 Y14 R54 G58 F59 D364 | V10-V56 HydrophobicContact CG1-CG1 4.43Å; V10-V56 HydrophobicContact CG1-CG2 3.88Å; P11-V56 HydrophobicContact CB-CG1 3.86Å; P11-V56 HydrophobicContact CG-CG1 3.55Å; Y14-V56 HydrophobicContact CD2-CG2 3.6Å; Y14-V56 HydrophobicContact CE2-CG2 3.37Å; R54-V56 PolarHBondContact O-N 3.3Å; V56-G58 PolarHBondContact O-N 2.77Å; V56-F59 HydrophobicContact CB-CB 4.26Å; V56-F59 HydrophobicContact CG1-CB 3.93Å; V56-D364 HydrophobicContact CG2-CB 4.2Å |
| 57 | D | 67.1 | Low | 71.8 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 116.5 | 169.7 | -79.6 | -43.5 | 0 | 0 | 0 | 110.2 | R363 | D57-R363 WeakPolarHBondContact OD2-CD 3.18Å; D57-R363 IonicContact OD2-CZ 2.63Å; D57-R363 IonicContact OD2-NE 2.66Å; D57-R363 IonicContact OD2-NH1 2.78Å; D57-R363 PolarHBondContact OD2-NH1 3.48Å |
| 58 | G | 61.8 | Low | 70.3 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 13.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117 | V56 H60 | V56-G58 PolarHBondContact O-N 2.77Å; G58-H60 PolarHBondContact O-N 3.48Å; G58-H60 PolarHBondContact O-ND1 3.02Å |
| 59 | F | 60.8 | Low | 68.9 | Low | 5 Ų | 5 | 84.5 Ų | 84.5 | 2% | 0.022 | 42% | 0.419 | C | S | . | . | trans | -69.3 | 79.3 | 169.7 | -165.3 | -88.7 | 0 | 0 | 0 | 111.3 | P11 R15 I18 E47 L50 M51 V56 | P11-F59 HydrophobicContact CB-CD2 4.12Å; R15-F59 HydrophobicContact CG-CD2 4.38Å; R15-F59 HydrophobicContact CG-CE2 3.52Å; R15-F59 HydrophobicContact CG-CZ 3.83Å; R15-F59 VanDerWaalsContact NH2-CD1 3.34Å; I18-F59 HydrophobicContact CD1-CE2 4.34Å; I18-F59 HydrophobicContact CD1-CZ 3.71Å; E47-F59 HydrophobicContact CB-CE1 3.95Å; E47-F59 HydrophobicContact CG-CE1 3.81Å; E47-F59 HydrophobicContact CG-CZ 4.2Å; E47-F59 WeakPolarHBondContact OE1-CE1 3.29Å; L50-F59 HydrophobicContact CD2-CD1 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.45Å; L50-F59 VanDerWaalsContact CD2-CD2 3.45Å; L50-F59 HydrophobicContact CD2-CE1 3.69Å; L50-F59 HydrophobicContact CD2-CE2 3.36Å; L50-F59 HydrophobicContact CD2-CG 3.66Å; L50-F59 HydrophobicContact CD2-CZ 3.51Å; M51-F59 HydrophobicContact CG-CD1 4.03Å; M51-F59 WeakPolarHBondContact CG-O 3.34Å; V56-F59 HydrophobicContact CB-CB 4.26Å; V56-F59 HydrophobicContact CG1-CB 3.93Å | ||
| 60 | H | 60.9 | Low | 67.3 | Low | 66 Ų | 66 | 81.2 Ų | 81.2 | 31% | 0.306 | 41% | 0.412 | S | S | . | . | trans | -100.9 | 130.8 | 172.1 | -56.8 | 102.7 | 0 | 0 | 0 | 108.8 | R15 G58 Q64 | R15-H60 VanDerWaalsContact CZ-O 3.32Å; R15-H60 PolarHBondContact NE-O 3.06Å; R15-H60 VanDerWaalsContact NH2-C 3.26Å; R15-H60 PolarHBondContact NH2-O 3.09Å; R15-H60 VanDerWaalsContact NH2-O 3.14Å; G58-H60 PolarHBondContact O-N 3.48Å; G58-H60 PolarHBondContact O-ND1 3.02Å; H60-Q64 HydrophobicContact CB-CB 3.99Å | ||
| 61 | S | 62.2 | Low | 65.7 | Low | 24 Ų | 24 | 87.7 Ų | 87.7 | 17% | 0.168 | 44% | 0.441 | C | S | . | . | trans | -50.6 | 145.9 | 170.1 | -45.8 | 0 | 0 | 0 | 0 | 109.7 | R15 E47 E63 Q64 Q65 | R15-S61 VanDerWaalsContact NH2-CA 3.34Å; E47-S61 WeakPolarHBondContact OE2-CB 3.29Å; E47-S61 PolarHBondContact OE2-OG 2.63Å; S61-E63 PolarHBondContact O-N 3.49Å; S61-Q64 WeakPolarHBondContact O-CA 3.41Å; S61-Q64 WeakPolarHBondContact O-CB 3.22Å; S61-Q64 PolarHBondContact O-N 2.67Å; S61-Q65 PolarHBondContact O-N 2.94Å | ||
| 62 | E | 60.2 | Low | 64.5 | Low | 151 Ų | 151 | 93.2 Ų | 93.2 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.3 | -36.1 | -170.2 | -166.3 | 166.2 | 111.9 | 0 | 0 | 112.7 | Q65 L66 | E62-Q65 PolarHBondContact O-N 3.5Å; E62-L66 PolarHBondContact O-N 3.12Å |
| 63 | E | 55.5 | Low | 63.1 | Low | 146 Ų | 146 | 94.5 Ų | 94.5 | 68% | 0.682 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.3 | -48.7 | 170.5 | -170.6 | 178.3 | 104.8 | 0 | 0 | 113.5 | S61 Q65 L66 L67 | S61-E63 PolarHBondContact O-N 3.49Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.33Å; E63-L66 PolarHBondContact O-N 3.14Å; E63-L67 HydrophobicContact CG-CD1 4.15Å; E63-L67 WeakPolarHBondContact O-CB 3.36Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 PolarHBondContact O-N 3.26Å |
| 64 | Q | 58.1 | Low | 61.5 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 176.3 | -72.5 | -175.2 | 53 | 0 | 0 | 112 | H60 S61 L67 L68 | H60-Q64 HydrophobicContact CB-CB 3.99Å; S61-Q64 WeakPolarHBondContact O-CA 3.41Å; S61-Q64 WeakPolarHBondContact O-CB 3.22Å; S61-Q64 PolarHBondContact O-N 2.67Å; Q64-L67 PolarHBondContact O-N 2.97Å; Q64-L68 PolarHBondContact O-N 2.98Å |
| 65 | Q | 58.8 | Low | 59.5 | Low | 99 Ų | 99 | 97.2 Ų | 97.2 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.9 | -164.9 | 167.2 | 122.7 | 0 | 0 | 111.5 | S61 E62 E63 Q69 | S61-Q65 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 3.5Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.33Å; Q65-Q69 WeakPolarHBondContact O-CB 3.42Å; Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.13Å |
| 66 | L | 60 | Low | 57.9 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | 170.9 | -123.5 | 83.4 | 0 | 0 | 0 | 111.3 | E62 E63 L68 Q69 V70 | E62-L66 PolarHBondContact O-N 3.12Å; E63-L66 PolarHBondContact O-N 3.14Å; L66-L68 PolarHBondContact O-N 2.79Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-Q69 VanDerWaalsContact O-N 3.12Å; L66-V70 WeakPolarHBondContact O-CG2 3.25Å; L66-V70 PolarHBondContact O-N 3.34Å |
| 67 | L | 59.3 | Low | 56.3 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 179.1 | -89 | 149 | 0 | 0 | 0 | 112.9 | E63 Q64 Q69 Q71 | E63-L67 HydrophobicContact CG-CD1 4.15Å; E63-L67 WeakPolarHBondContact O-CB 3.36Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 PolarHBondContact O-N 3.26Å; Q64-L67 PolarHBondContact O-N 2.97Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.44Å; L67-Q71 WeakPolarHBondContact O-CB 3.27Å; L67-Q71 PolarHBondContact O-N 3.2Å |
| 68 | L | 61.3 | Low | 55.1 | Low | 92 Ų | 92 | 114.1 Ų | 114.1 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -37.1 | 173.6 | -104.5 | 70 | 0 | 0 | 0 | 112.4 | Q64 L66 Q71 Q72 | Q64-L68 PolarHBondContact O-N 2.98Å; L66-L68 PolarHBondContact O-N 2.79Å; L68-Q71 PolarHBondContact O-N 2.96Å; L68-Q72 PolarHBondContact O-N 2.66Å; L68-Q72 VanDerWaalsContact O-N 3.15Å |
| 69 | Q | 58.7 | Low | 54.2 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.4 | -39.2 | -179.1 | -158.5 | 164.4 | 109.9 | 0 | 0 | 112 | Q65 L66 L67 Q71 Q72 Q73 | Q65-Q69 WeakPolarHBondContact O-CB 3.42Å; Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.13Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-Q69 VanDerWaalsContact O-N 3.12Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.44Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å; Q69-Q72 PolarHBondContact O-N 2.96Å; Q69-Q73 PolarHBondContact O-N 3.37Å |
| 70 | V | 57.7 | Low | 53.1 | Low | 81 Ų | 81 | 129.3 Ų | 129.3 | 49% | 0.491 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.3 | -39.1 | 170.9 | 171.7 | 0 | 0 | 0 | 0 | 111 | L66 Q73 H74 | L66-V70 WeakPolarHBondContact O-CG2 3.25Å; L66-V70 PolarHBondContact O-N 3.34Å; V70-Q73 PolarHBondContact O-N 3.35Å; V70-H74 PolarHBondContact O-ND1 2.93Å |
| 71 | Q | 55.5 | Low | 51.8 | Low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -35 | 178.7 | -164.6 | 171.4 | 107.6 | 0 | 0 | 112.7 | L67 L68 Q69 | L67-Q71 WeakPolarHBondContact O-CB 3.27Å; L67-Q71 PolarHBondContact O-N 3.2Å; L68-Q71 PolarHBondContact O-N 2.96Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å |
| 72 | Q | 56.7 | Low | 50.5 | Low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.5 | -26.4 | 176.9 | -80.8 | -164.1 | 88 | 0 | 0 | 114.6 | L68 Q69 H74 | L68-Q72 PolarHBondContact O-N 2.66Å; L68-Q72 VanDerWaalsContact O-N 3.15Å; Q69-Q72 PolarHBondContact O-N 2.96Å; Q72-H74 VanDerWaalsContact C-N 3.33Å; Q72-H74 PolarHBondContact O-N 2.78Å |
| 73 | Q | 53.8 | Low | 49.3 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76.6 | -14.9 | 178.3 | -73.5 | -149.6 | 4.3 | 0 | 0 | 114.7 | Q69 V70 Q75 | Q69-Q73 PolarHBondContact O-N 3.37Å; V70-Q73 PolarHBondContact O-N 3.35Å; Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q73-Q75 PolarHBondContact O-N 2.9Å |
| 74 | H | 49.1 | Very low | 48.3 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 18.5 | -173.5 | -78.5 | 94.7 | 0 | 0 | 0 | 115.5 | V70 Q72 P76 | V70-H74 PolarHBondContact O-ND1 2.93Å; Q72-H74 VanDerWaalsContact C-N 3.33Å; Q72-H74 PolarHBondContact O-N 2.78Å; H74-P76 WeakPolarHBondContact O-CD 3.27Å |
| 75 | Q | 38.5 | Very low | 47.2 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | trans | -85.9 | 103.3 | 176.3 | -164.3 | 171.3 | 106.8 | 0 | 0 | 110.8 | Q73 | Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q73-Q75 PolarHBondContact O-N 2.9Å | ||
| 76 | P | 45.3 | Very low | 46.2 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | trans | -84 | 138.8 | -172.7 | -4.1 | 25.2 | 0 | 0 | 0 | 110.3 | H74 Q78 | H74-P76 WeakPolarHBondContact O-CD 3.27Å; P76-Q78 PolarHBondContact O-N 3.26Å | ||
| 77 | Q | 41.3 | Very low | 45.2 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | trans | -60.8 | 103.3 | 171.9 | -65.5 | 176.2 | 20.2 | 0 | 0 | 110.7 | ||||
| 78 | Q | 42.7 | Very low | 44.2 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -125.7 | 76.4 | 166.9 | -80.9 | -158.2 | 67.3 | 0 | 0 | 110.8 | P76 | P76-Q78 PolarHBondContact O-N 3.26Š| ||
| 79 | Q | 42.5 | Very low | 43.4 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | trans | -161 | 72.6 | 157.3 | -117.2 | 162.4 | 91.2 | 0 | 0 | 110.9 | ||||
| 80 | Q | 36.1 | Very low | 42.7 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | -138.4 | 149.6 | 159.3 | -135.4 | -175.1 | 96.1 | 0 | 0 | 109.6 | ||||
| 81 | H | 34 | Very low | 42 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | trans | 68.9 | 105 | -172.8 | -52.3 | -83.2 | 0 | 0 | 0 | 116.1 | ||||
| 82 | H | 35.8 | Very low | 41.4 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | -169 | 131.2 | 120.3 | -99.6 | 101.1 | 0 | 0 | 0 | 111.4 | |||||
| 83 | H | 35.8 | Very low | 40.4 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | trans | 65 | 145.6 | 162.3 | -66.7 | 93.9 | 0 | 0 | 0 | 119.1 | ||||
| 84 | H | 34.3 | Very low | 39.8 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | cis | -168.2 | 144.7 | -25.2 | -147 | 82.5 | 0 | 0 | 0 | 107.9 | ||||
| 85 | H | 33.8 | Very low | 39 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 49 | 125.8 | 156.5 | -97.9 | 62.5 | 0 | 0 | 0 | 119.5 | ||||
| 86 | H | 38.2 | Very low | 39 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 65% | 0.648 | 76% | 0.763 | S | S | * | * | 170 | 146.6 | 58.3 | -165.6 | 67.1 | 0 | 0 | 0 | 111.2 | |||||
| 87 | H | 38.6 | Very low | 38.5 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | 57.8 | 150.6 | 163.5 | -89.6 | 60.7 | 0 | 0 | 0 | 119.8 | ||||
| 88 | Q | 39.7 | Very low | 38.1 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -169.2 | 151.5 | -19.6 | 166.7 | 169 | 91.1 | 0 | 0 | 110.7 | ||||
| 89 | Q | 43.3 | Very low | 37.8 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | 73.3 | 114.5 | 159.8 | -87.6 | 169.2 | -6.4 | 0 | 0 | 123.1 | ||||
| 90 | A | 43.8 | Very low | 37.3 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 60.2 | 144.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 91 | Q | 43.4 | Very low | 37.2 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | cis | -158.9 | 174.2 | -16.1 | -114.9 | -149.5 | -1.5 | 0 | 0 | 108.3 | ||||
| 92 | P | 42.5 | Very low | 36.9 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 62% | 0.617 | 75% | 0.748 | S | S | * | * | trans | -107.7 | 158.7 | -150.6 | 40.3 | -36.9 | 0 | 0 | 0 | 116.7 | ||||
| 93 | Q | 36.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | 173.3 | 119.1 | 137.4 | -102.7 | 163.5 | 79.4 | 0 | 0 | 112.8 | ||||
| 94 | Q | 40.1 | Very low | 36.3 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | 178.9 | 154.8 | 101.6 | -108 | 174.7 | 39.7 | 0 | 0 | 112.2 | |||||
| 95 | T | 33.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -112.6 | 129.5 | -169.1 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 96 | V | 37.1 | Very low | 35.8 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -147 | 115.2 | 152.8 | -172 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | P | 35.7 | Very low | 35.6 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -98.7 | 159.7 | 158.1 | 36.5 | -29.9 | 0 | 0 | 0 | 110.7 | ||||
| 98 | Q | 33.6 | Very low | 35.2 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 156.2 | 119.6 | 134.7 | -176.7 | 154.2 | 96.1 | 0 | 0 | 114.6 | ||||
| 99 | Q | 35.3 | Very low | 34.5 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 156.2 | 148.3 | -71.2 | 163 | -3.1 | 0 | 0 | 119.9 | ||||
| 100 | A | 32.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | -144.1 | 153.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 101 | Q | 32.5 | Very low | 33.4 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 11.3 | 127.6 | 137.9 | -56.4 | 168.3 | -17.6 | 0 | 0 | 116.8 | ||||
| 102 | T | 29.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | -164.9 | 169.1 | 57.8 | 45.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 103 | Q | 31.3 | Very low | 31.9 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -154.6 | 177.9 | -6.4 | -125.9 | 176.3 | 115.9 | 0 | 0 | 109.4 | ||||
| 104 | Q | 27 | Very low | 31.4 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -146.9 | 132.2 | 159.1 | -86.4 | -168.5 | 49.6 | 0 | 0 | 109.5 | ||||
| 105 | V | 31.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -97.8 | 111.5 | 169 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | I107 | V105-I107 HydrophobicContact CG1-CG1 4.22Š| ||
| 106 | L | 27.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -81.7 | 126.5 | 174.3 | 175.5 | 71.4 | 0 | 0 | 0 | 109.5 | ||||
| 107 | I | 32.8 | Very low | 29.9 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -126.2 | 126.6 | 165.4 | -55.7 | -178.5 | 0 | 0 | 0 | 108.2 | V105 | V105-I107 HydrophobicContact CG1-CG1 4.22Š| ||
| 108 | P | 30.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -85.4 | 146.2 | -171.3 | 33.4 | -35.2 | 0 | 0 | 0 | 113 | ||||
| 109 | A | 25.7 | Very low | 29 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 123.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 110 | S | 30.8 | Very low | 28.8 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -160.7 | 144.9 | 157.9 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 111 | Q | 31.6 | Very low | 28.6 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 64.7 | 109.7 | 162.4 | -60.4 | 161.4 | 100.7 | 0 | 0 | 115.2 | ||||
| 112 | Q | 28.8 | Very low | 28.5 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | cis | 59.8 | 69.6 | 42.1 | -151.3 | 179.9 | 28.3 | 0 | 0 | 112.9 | ||||
| 113 | A | 27.6 | Very low | 28.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -138.9 | 129.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 114 | T | 26.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -79.7 | 136.1 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | A | 27.1 | Very low | 28.6 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -121.4 | 147.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 116 | P | 27 | Very low | 28.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -92.4 | 146.5 | -153.1 | 34.5 | -36 | 0 | 0 | 0 | 115.2 | ||||
| 117 | Q | 24.4 | Very low | 28.8 | Very low | 177 Ų | 177 | 133 Ų | 133 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -64.6 | 126.1 | 159.2 | -69.4 | -77.7 | 4.2 | 0 | 0 | 109.6 | ||||
| 118 | V | 24.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -108 | 94.2 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | V120 | V118-V120 HydrophobicContact CG1-CG2 3.74Š| ||
| 119 | I | 26.2 | Very low | 28.6 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | -72.8 | 130.8 | 161.1 | -104.4 | 67.2 | 0 | 0 | 0 | 107.6 | ||||
| 120 | V | 30 | Very low | 29 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -126.5 | 110.7 | 165.7 | -165.6 | 0 | 0 | 0 | 0 | 109.3 | V118 | V118-V120 HydrophobicContact CG1-CG2 3.74Š| ||
| 121 | P | 29.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | trans | -95.5 | 131.3 | 162.5 | 34 | -25.1 | 0 | 0 | 0 | 109.8 | ||||
| 122 | D | 29.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | -170.5 | 158.3 | 117.5 | -166.5 | -145.9 | 0 | 0 | 0 | 110.8 | K124 | D122-K124 WeakPolarHBondContact OD1-CE 3.42Š| |||
| 123 | S | 27.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -99.1 | 128.2 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 124 | K | 34.6 | Very low | 29.5 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -149.5 | 120 | 149 | -91.1 | 111.5 | -158.5 | -62.4 | 0 | 111.8 | D122 | D122-K124 WeakPolarHBondContact OD1-CE 3.42Š| ||
| 125 | L | 28.5 | Very low | 29.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | 37.9 | 117.9 | 129 | -140.1 | 70.3 | 0 | 0 | 0 | 116 | |||||
| 126 | I | 32.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | -161.8 | 156 | 84.2 | -90.9 | 152.6 | 0 | 0 | 0 | 110.8 | |||||
| 127 | Q | 27.9 | Very low | 29.9 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -63.3 | 162.5 | 174.6 | -69.8 | 137.6 | -37.9 | 0 | 0 | 111.1 | ||||
| 128 | H | 32.8 | Very low | 30 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | -173.4 | 167.8 | 85.6 | -86.9 | -78.6 | 0 | 0 | 0 | 111.7 | |||||
| 129 | M | 27.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -56.3 | 156.5 | -175.8 | -65.4 | 154.7 | 70.7 | 0 | 0 | 112.8 | ||||
| 130 | N | 33.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | -157.1 | 159.4 | 54.5 | -171.5 | 24.6 | 0 | 0 | 0 | 113.8 | |||||
| 131 | A | 29.5 | Very low | 30 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -129.5 | 111.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 132 | S | 35.8 | Very low | 30 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | trans | -167.3 | 88.5 | 171.8 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 133 | N | 33.2 | Very low | 30 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | 162.4 | 124.6 | 117.7 | -83.7 | 1.7 | 0 | 0 | 0 | 112.2 | |||||
| 134 | M | 31.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 154.1 | 161.2 | -59.7 | 179.8 | 180 | 0 | 0 | 109 | ||||
| 135 | S | 29.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | 171.6 | 134.1 | 101.1 | -167.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 136 | A | 29.9 | Very low | 29.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 151.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 137 | A | 28.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | cis | -147.9 | 154.5 | 13.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 138 | A | 27.5 | Very low | 29.9 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 55.6 | 138.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 139 | T | 26.4 | Very low | 30.1 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | cis | -162.3 | 154.5 | 5.7 | -5.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 140 | A | 27 | Very low | 30.9 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -162.5 | 172.6 | 26.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 141 | A | 28.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 59.2 | 77.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 142 | T | 27.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 115.9 Ų | 115.9 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -92.4 | 132.4 | 155.8 | -175 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 143 | L | 30.3 | Very low | 33.4 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -116.1 | 125.4 | 159.4 | -122.7 | 81.3 | 0 | 0 | 0 | 107.5 | ||||
| 144 | A | 25.1 | Very low | 34.3 | Very low | 92 Ų | 92 | 116 Ų | 116 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -71.2 | 137.1 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 145 | L | 30 | Very low | 35.2 | Very low | 169 Ų | 169 | 111 Ų | 111 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | trans | -137.6 | 148.8 | 158.6 | -74.4 | 178.1 | 0 | 0 | 0 | 110.1 | ||||
| 146 | P | 29.4 | Very low | 36.2 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | -81.8 | 169 | -164.5 | 32.9 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 147 | A | 29.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 93% | 0.926 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -42.9 | 133.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 148 | G | 35.9 | Very low | 38.2 | Very low | 76 Ų | 76 | 111 Ų | 111 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 146.1 | -24.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 149 | V | 36.6 | Very low | 39.1 | Very low | 143 Ų | 143 | 110.7 Ų | 110.7 | 87% | 0.867 | 70% | 0.695 | S | S | * | * | trans | -139 | 127.8 | -174.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 150 | T | 44.6 | Very low | 40.3 | Very low | 64 Ų | 64 | 105 Ų | 105 | 39% | 0.393 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 157.1 | 176.4 | 17.2 | 0 | 0 | 0 | 0 | 111.4 | V152 R167 | T150-V152 PolarHBondContact O-N 2.88Å; T150-R167 PolarHBondContact OG1-O 2.84Å |
| 151 | P | 43.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 104.4 Ų | 104.4 | 74% | 0.74 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 130.9 | -177.2 | 24.3 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 152 | V | 51.7 | Low | 42.5 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -83.2 | 119.4 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | T150 Q164 V166 | T150-V152 PolarHBondContact O-N 2.88Å; V152-Q164 HydrophobicContact CG1-CG 3.2Å; V152-V166 HydrophobicContact CG1-CG2 4.25Å; V152-V166 HydrophobicContact CG2-CG2 4.26Å |
| 153 | Q | 54.5 | Low | 43.6 | Very low | 136 Ų | 136 | 96.9 Ų | 96.9 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 122 | -177.3 | -165.3 | 151.1 | 39 | 0 | 0 | 110.1 | V165 | Q153-V165 HydrophobicContact CB-CB 4.49Å; Q153-V165 PolarHBondContact N-O 2.91Å; Q153-V165 PolarHBondContact O-N 2.8Å |
| 154 | Q | 52.4 | Low | 44.8 | Very low | 119 Ų | 119 | 92.2 Ų | 92.2 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 120 | 180 | -153 | 169.6 | 38.5 | 0 | 0 | 109.2 | L162 L163 | Q154-L162 HydrophobicContact CG-CD2 4.19Å; Q154-L163 CarbonylContact C-O 3.59Å; Q154-L163 WeakPolarHBondContact CA-O 3.44Å |
| 155 | I | 49.9 | Very low | 46.5 | Very low | 82 Ų | 82 | 88.6 Ų | 88.6 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.5 | -179.4 | -57 | 179.6 | 0 | 0 | 0 | 107.5 | L163 V165 | I155-L163 HydrophobicContact CB-CB 4.33Å; I155-L163 PolarHBondContact N-O 3.47Å; I155-L163 PolarHBondContact O-N 2.79Å; I155-V165 HydrophobicContact CD1-CG2 3.53Å; I155-V165 HydrophobicContact CG1-CG2 4.08Å |
| 156 | L | 50.8 | Low | 47.9 | Very low | 96 Ų | 96 | 82.6 Ų | 82.6 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.9 | 170.4 | -177.7 | 63.5 | 0 | 0 | 0 | 108.5 | L162 | L156-L162 HydrophobicContact CB-CD2 4.41Å; L156-L162 HydrophobicContact CD1-CD2 3.88Å; L156-L162 HydrophobicContact CD1-CG 4.35Å |
| 157 | T | 54.3 | Low | 49.1 | Very low | 36 Ų | 36 | 83.6 Ų | 83.6 | 22% | 0.221 | 49% | 0.486 | C | S | . | . | trans | -73.8 | 160.3 | 174.7 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | S159 G160 Q161 L163 | T157-S159 PolarHBondContact O-N 3.17Å; T157-S159 VanDerWaalsContact O-N 3.11Å; T157-S159 PolarHBondContact OG1-N 2.77Å; T157-S159 PolarHBondContact OG1-OG 2.91Å; T157-G160 PolarHBondContact O-N 3.42Å; T157-G160 PolarHBondContact OG1-N 2.74Å; T157-Q161 HydrophobicContact CG2-CB 4.4Å; T157-Q161 PolarHBondContact N-O 2.99Å; T157-Q161 WeakPolarHBondContact OG1-CB 3.48Å; T157-Q161 PolarHBondContact OG1-N 2.98Å; T157-Q161 PolarHBondContact OG1-O 3.31Å; T157-L163 HydrophobicContact CG2-CD1 3.44Å; T157-L163 VanDerWaalsContact CG2-CD1 3.44Å; T157-L163 HydrophobicContact CG2-CG 3.93Å | ||
| 158 | N | 46.5 | Very low | 50.4 | Low | 166 Ų | 166 | 79.8 Ų | 79.8 | 89% | 0.888 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.8 | 168.5 | -76.5 | -48 | 0 | 0 | 0 | 113.3 | G160 | N158-G160 VanDerWaalsContact C-N 3.29Š|
| 159 | S | 47.7 | Very low | 51 | Low | 88 Ų | 88 | 81.6 Ų | 81.6 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 8.7 | 172.2 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | T157 Q161 | T157-S159 PolarHBondContact O-N 3.17Å; T157-S159 VanDerWaalsContact O-N 3.11Å; T157-S159 PolarHBondContact OG1-N 2.77Å; T157-S159 PolarHBondContact OG1-OG 2.91Å; S159-Q161 PolarHBondContact O-N 3.36Å |
| 160 | G | 49.9 | Very low | 52.3 | Low | 19 Ų | 19 | 80.5 Ų | 80.5 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 74.1 | 7.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T157 N158 | T157-G160 PolarHBondContact O-N 3.42Å; T157-G160 PolarHBondContact OG1-N 2.74Å; N158-G160 VanDerWaalsContact C-N 3.29Å |
| 161 | Q | 51.3 | Low | 52.9 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | trans | -83.3 | 129.6 | 177 | -60.8 | -164.8 | 80.1 | 0 | 0 | 110 | T157 S159 Q177 | T157-Q161 HydrophobicContact CG2-CB 4.4Å; T157-Q161 PolarHBondContact N-O 2.99Å; T157-Q161 WeakPolarHBondContact OG1-CB 3.48Å; T157-Q161 PolarHBondContact OG1-N 2.98Å; T157-Q161 PolarHBondContact OG1-O 3.31Å; S159-Q161 PolarHBondContact O-N 3.36Å; Q161-Q177 VanDerWaalsContact OE1-CD 3.27Å | ||
| 162 | L | 50.8 | Low | 53.2 | Low | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 127 | 166.1 | -64.4 | 168.6 | 0 | 0 | 0 | 108 | Q154 L156 P178 V182 | Q154-L162 HydrophobicContact CG-CD2 4.19Å; L156-L162 HydrophobicContact CB-CD2 4.41Å; L156-L162 HydrophobicContact CD1-CD2 3.88Å; L156-L162 HydrophobicContact CD1-CG 4.35Å; L162-P178 HydrophobicContact CB-CG 4.08Å; L162-P178 WeakPolarHBondContact O-CD 3.4Å; L162-P178 VanDerWaalsContact O-CG 3.25Å; L162-P178 WeakPolarHBondContact O-CG 3.17Å; L162-V182 HydrophobicContact CD1-CG2 3.92Å; L162-V182 HydrophobicContact CG-CG2 4.37Å |
| 163 | L | 50.6 | Low | 53.3 | Low | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 143.1 | 166.5 | -62.8 | 167.4 | 0 | 0 | 0 | 107.7 | Q154 I155 T157 I175 Q177 | Q154-L163 CarbonylContact C-O 3.59Å; Q154-L163 WeakPolarHBondContact CA-O 3.44Å; I155-L163 HydrophobicContact CB-CB 4.33Å; I155-L163 PolarHBondContact N-O 3.47Å; I155-L163 PolarHBondContact O-N 2.79Å; T157-L163 HydrophobicContact CG2-CD1 3.44Å; T157-L163 VanDerWaalsContact CG2-CD1 3.44Å; T157-L163 HydrophobicContact CG2-CG 3.93Å; L163-I175 HydrophobicContact CB-CG2 4.16Å; L163-I175 HydrophobicContact CD1-CG2 4.38Å; L163-I175 HydrophobicContact CD2-CG2 3.84Å; L163-I175 HydrophobicContact CG-CG2 4.36Å; L163-Q177 HydrophobicContact CD2-CB 4.07Å; L163-Q177 HydrophobicContact CD2-CG 4.2Å |
| 164 | Q | 57 | Low | 53.2 | Low | 77 Ų | 77 | 76 Ų | 76 | 36% | 0.36 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 108.3 | 178.9 | -168.7 | 163 | 47.4 | 0 | 0 | 108.8 | V152 F176 | V152-Q164 HydrophobicContact CG1-CG 3.2Å; Q164-F176 HydrophobicContact CB-CB 4.36Å; Q164-F176 PolarHBondContact N-O 2.82Å; Q164-F176 PolarHBondContact O-N 3.33Å |
| 165 | V | 59.1 | Low | 53.3 | Low | 15 Ų | 15 | 76 Ų | 76 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.9 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | Q153 I155 Q173 Y174 I175 | Q153-V165 HydrophobicContact CB-CB 4.49Å; Q153-V165 PolarHBondContact N-O 2.91Å; Q153-V165 PolarHBondContact O-N 2.8Å; I155-V165 HydrophobicContact CD1-CG2 3.53Å; I155-V165 HydrophobicContact CG1-CG2 4.08Å; V165-Q173 HydrophobicContact CG1-CB 4.48Å; V165-Y174 WeakPolarHBondContact CA-O 3.17Å; V165-I175 HydrophobicContact CG2-CG1 4.36Å |
| 166 | V | 60.4 | Low | 53.3 | Low | 43 Ų | 43 | 77.2 Ų | 77.2 | 26% | 0.261 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.5 | 176 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | V152 Y174 F176 | V152-V166 HydrophobicContact CG1-CG2 4.25Å; V152-V166 HydrophobicContact CG2-CG2 4.26Å; V166-Y174 PolarHBondContact N-O 2.88Å; V166-Y174 PolarHBondContact O-N 2.87Å; V166-F176 HydrophobicContact CB-CD2 4.42Å; V166-F176 HydrophobicContact CB-CE2 3.94Å; V166-F176 HydrophobicContact CG2-CD2 3.81Å; V166-F176 HydrophobicContact CG2-CE2 3.7Å |
| 167 | R | 54.8 | Low | 53.2 | Low | 140 Ų | 140 | 78.1 Ų | 78.1 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.8 | 167.6 | -154.7 | 174.8 | -153.8 | -176.2 | 8.6 | 109.1 | T150 A172 | T150-R167 PolarHBondContact OG1-O 2.84Å; R167-A172 CarbonylContact C-O 3.52Å; R167-A172 WeakPolarHBondContact CA-O 3.41Å |
| 168 | A | 56.1 | Low | 53.1 | Low | 31 Ų | 31 | 78.9 Ų | 78.9 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | trans | -97.8 | 163.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N170 G171 A172 Y174 | A168-N170 VanDerWaalsContact CB-OD1 3.24Å; A168-N170 WeakPolarHBondContact CB-OD1 3.44Å; A168-N170 PolarHBondContact O-N 2.8Å; A168-N170 VanDerWaalsContact O-N 3.1Å; A168-G171 PolarHBondContact O-N 2.82Å; A168-A172 PolarHBondContact N-O 3.14Å; A168-Y174 HydrophobicContact CB-CD2 4.19Å; A168-Y174 HydrophobicContact CB-CE2 3.67Å | ||
| 169 | A | 48.9 | Very low | 53.1 | Low | 115 Ų | 115 | 80.2 Ų | 80.2 | 95% | 0.95 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 170 | N | 64.1 | Low | 53.1 | Low | 119 Ų | 119 | 82.4 Ų | 82.4 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 5.7 | 172.6 | 66.2 | -12.8 | 0 | 0 | 0 | 113.4 | A168 A172 | A168-N170 VanDerWaalsContact CB-OD1 3.24Å; A168-N170 WeakPolarHBondContact CB-OD1 3.44Å; A168-N170 PolarHBondContact O-N 2.8Å; A168-N170 VanDerWaalsContact O-N 3.1Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.82Å; N170-A172 VanDerWaalsContact OD1-CB 3.31Å; N170-A172 WeakPolarHBondContact OD1-CB 3.43Å; N170-A172 PolarHBondContact OD1-N 2.69Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å |
| 171 | G | 56.1 | Low | 52.4 | Low | 41 Ų | 41 | 86.2 Ų | 86.2 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 86.9 | -13.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A168 | A168-G171 PolarHBondContact O-N 2.82Š|
| 172 | A | 49.3 | Very low | 51.8 | Low | 33 Ų | 33 | 84.2 Ų | 84.2 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | trans | -63.5 | 140 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R167 A168 N170 Y174 | R167-A172 CarbonylContact C-O 3.52Å; R167-A172 WeakPolarHBondContact CA-O 3.41Å; A168-A172 PolarHBondContact N-O 3.14Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.82Å; N170-A172 VanDerWaalsContact OD1-CB 3.31Å; N170-A172 WeakPolarHBondContact OD1-CB 3.43Å; N170-A172 PolarHBondContact OD1-N 2.69Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å; A172-Y174 HydrophobicContact CB-CE2 3.88Å | ||
| 173 | Q | 54.5 | Low | 51.2 | Low | 109 Ų | 109 | 85.3 Ų | 85.3 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.3 | 173.8 | -66.5 | -81.8 | 42.7 | 0 | 0 | 109 | V165 | V165-Q173 HydrophobicContact CG1-CB 4.48Å |
| 174 | Y | 52.8 | Low | 50.7 | Low | 113 Ų | 113 | 87.8 Ų | 87.8 | 44% | 0.443 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.6 | 174.1 | -64 | -86 | 0 | 0 | 0 | 109.6 | V165 V166 A168 A172 F176 | V165-Y174 WeakPolarHBondContact CA-O 3.17Å; V166-Y174 PolarHBondContact N-O 2.88Å; V166-Y174 PolarHBondContact O-N 2.87Å; A168-Y174 HydrophobicContact CB-CD2 4.19Å; A168-Y174 HydrophobicContact CB-CE2 3.67Å; A172-Y174 HydrophobicContact CB-CE2 3.88Å; Y174-F176 VanDerWaalsContact CB-CE2 3.46Å; Y174-F176 HydrophobicContact CG-CE2 4.48Å; Y174-F176 HydrophobicContact CG-CZ 4.43Å |
| 175 | I | 53.8 | Low | 49.7 | Very low | 118 Ų | 118 | 89.5 Ų | 89.5 | 61% | 0.605 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.2 | 176.8 | -56.5 | 179.4 | 0 | 0 | 0 | 108.2 | L163 V165 | L163-I175 HydrophobicContact CB-CG2 4.16Å; L163-I175 HydrophobicContact CD1-CG2 4.38Å; L163-I175 HydrophobicContact CD2-CG2 3.84Å; L163-I175 HydrophobicContact CG-CG2 4.36Å; V165-I175 HydrophobicContact CG2-CG1 4.36Å |
| 176 | F | 50.2 | Low | 48.6 | Very low | 108 Ų | 108 | 95.3 Ų | 95.3 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.5 | 174.4 | -59.5 | -84.9 | 0 | 0 | 0 | 109.9 | Q164 V166 Y174 P178 | Q164-F176 HydrophobicContact CB-CB 4.36Å; Q164-F176 PolarHBondContact N-O 2.82Å; Q164-F176 PolarHBondContact O-N 3.33Å; V166-F176 HydrophobicContact CB-CD2 4.42Å; V166-F176 HydrophobicContact CB-CE2 3.94Å; V166-F176 HydrophobicContact CG2-CD2 3.81Å; V166-F176 HydrophobicContact CG2-CE2 3.7Å; Y174-F176 VanDerWaalsContact CB-CE2 3.46Å; Y174-F176 HydrophobicContact CG-CE2 4.48Å; Y174-F176 HydrophobicContact CG-CZ 4.43Å; F176-P178 WeakPolarHBondContact O-CD 3.43Å |
| 177 | Q | 49.4 | Very low | 47.7 | Very low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | trans | -97 | 99 | 173.2 | -172.4 | 173.3 | 84.5 | 0 | 0 | 109.1 | Q161 L163 Q179 | Q161-Q177 VanDerWaalsContact OE1-CD 3.27Å; L163-Q177 HydrophobicContact CD2-CB 4.07Å; L163-Q177 HydrophobicContact CD2-CG 4.2Å; Q177-Q179 PolarHBondContact O-N 2.87Å | ||
| 178 | P | 52 | Low | 46.8 | Very low | 53 Ų | 53 | 97.7 Ų | 97.7 | 34% | 0.344 | 53% | 0.531 | S | S | . | . | trans | -55.9 | 124.7 | 167.9 | 22.4 | -35.6 | 0 | 0 | 0 | 110.4 | L162 F176 Q180 | L162-P178 HydrophobicContact CB-CG 4.08Å; L162-P178 WeakPolarHBondContact O-CD 3.4Å; L162-P178 VanDerWaalsContact O-CG 3.25Å; L162-P178 WeakPolarHBondContact O-CG 3.17Å; F176-P178 WeakPolarHBondContact O-CD 3.43Å; P178-Q180 PolarHBondContact O-N 2.82Å | ||
| 179 | Q | 46.9 | Very low | 46.1 | Very low | 194 Ų | 194 | 101.8 Ų | 101.8 | 91% | 0.907 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -78.1 | 38.2 | -170.2 | -148.5 | -166.3 | 31 | 0 | 0 | 114.2 | Q177 | Q177-Q179 PolarHBondContact O-N 2.87Š|
| 180 | Q | 46.2 | Very low | 45.5 | Very low | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.621 | 54% | 0.539 | S | S | * | . | trans | -116.8 | 115.6 | 177.4 | -68.7 | -163.4 | 48.7 | 0 | 0 | 111.3 | P178 V182 | P178-Q180 PolarHBondContact O-N 2.82Å; Q180-V182 PolarHBondContact O-N 2.84Å; Q180-V182 VanDerWaalsContact O-N 3.15Å | ||
| 181 | S | 36 | Very low | 44.3 | Very low | 100 Ų | 100 | 102.1 Ų | 102.1 | 70% | 0.699 | 54% | 0.536 | S | S | * | . | trans | -64.9 | 108.2 | 171.2 | -42.2 | 0 | 0 | 0 | 0 | 110 | V183 | S181-V183 PolarHBondContact O-N 3.21Š| ||
| 182 | V | 38.6 | Very low | 43.2 | Very low | 36 Ų | 36 | 109 Ų | 109 | 22% | 0.218 | 56% | 0.56 | C | S | . | * | trans | -84 | 112.3 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | L162 Q180 L184 L206 | L162-V182 HydrophobicContact CD1-CG2 3.92Å; L162-V182 HydrophobicContact CG-CG2 4.37Å; Q180-V182 PolarHBondContact O-N 2.84Å; Q180-V182 VanDerWaalsContact O-N 3.15Å; V182-L184 HydrophobicContact CG1-CG 4.35Å; V182-L184 PolarHBondContact O-N 2.92Å; V182-L206 HydrophobicContact CG1-CD1 3.72Å; V182-L206 HydrophobicContact CG1-CD2 4.22Å; V182-L206 HydrophobicContact CG1-CG 3.87Å; V182-L206 HydrophobicContact CG2-CD2 4.39Å | ||
| 183 | V | 39.1 | Very low | 42.7 | Very low | 67 Ų | 67 | 114.1 Ų | 114.1 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | trans | -87.7 | 105.5 | 170.1 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | S181 Q185 L209 | S181-V183 PolarHBondContact O-N 3.21Å; V183-Q185 HydrophobicContact CG1-CG 4.42Å; V183-Q185 PolarHBondContact O-N 3.31Å; V183-Q185 VanDerWaalsContact O-N 3.08Å; V183-L209 HydrophobicContact CG2-CD1 4.4Å | ||
| 184 | L | 39 | Very low | 41.9 | Very low | 83 Ų | 83 | 115.2 Ų | 115.2 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 88.1 | 171.7 | -80 | 161.9 | 0 | 0 | 0 | 110.5 | V182 Q186 Q204 | V182-L184 HydrophobicContact CG1-CG 4.35Å; V182-L184 PolarHBondContact O-N 2.92Å; L184-Q186 PolarHBondContact O-N 2.86Å; L184-Q204 HydrophobicContact CD2-CG 4.32Å |
| 185 | Q | 35.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 114 Ų | 114 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 111.6 | 164.4 | -91.6 | -175 | 87.4 | 0 | 0 | 110.1 | V183 Q187 | V183-Q185 HydrophobicContact CG1-CG 4.42Å; V183-Q185 PolarHBondContact O-N 3.31Å; V183-Q185 VanDerWaalsContact O-N 3.08Å; Q185-Q187 PolarHBondContact O-N 3.16Å |
| 186 | Q | 36.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 93.9 | 175.3 | -169.1 | 158.1 | 102.5 | 0 | 0 | 110 | L184 I202 | L184-Q186 PolarHBondContact O-N 2.86Å; Q186-I202 HydrophobicContact CG-CG2 4.31Å |
| 187 | Q | 40.2 | Very low | 39.3 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88 | 111.8 | 170.7 | -89.4 | -173.6 | -16.2 | 0 | 0 | 110.6 | Q185 | Q185-Q187 PolarHBondContact O-N 3.16Å |
| 188 | V | 36.7 | Very low | 38.4 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 113 | 162.5 | -81.6 | 0 | 0 | 0 | 0 | 109.1 | P190 | V188-P190 WeakPolarHBondContact O-CD 3.34Å |
| 189 | I | 41.2 | Very low | 37.5 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 61% | 0.605 | 66% | 0.661 | S | S | * | * | trans | -89.7 | 114.6 | 175.6 | -60.3 | 172.9 | 0 | 0 | 0 | 108 | Q191 | I189-Q191 PolarHBondContact O-N 3.36Å; I189-Q191 VanDerWaalsContact O-N 3.14Å | ||
| 190 | P | 36.2 | Very low | 37 | Very low | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -81.4 | 94 | 174 | 12.7 | 2.6 | 0 | 0 | 0 | 109 | V188 M192 | V188-P190 WeakPolarHBondContact O-CD 3.34Å; P190-M192 PolarHBondContact O-N 2.92Å | ||
| 191 | Q | 38.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 110.8 Ų | 110.8 | 57% | 0.57 | 65% | 0.651 | S | S | * | * | trans | -83.8 | 106.9 | 171.9 | -162.1 | -156.5 | 88.3 | 0 | 0 | 109.8 | I189 Q193 | I189-Q191 PolarHBondContact O-N 3.36Å; I189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-Q193 PolarHBondContact O-N 3.24Å | ||
| 192 | M | 33.2 | Very low | 36.3 | Very low | 186 Ų | 186 | 110 Ų | 110 | 92% | 0.916 | 64% | 0.638 | S | S | * | * | trans | -81.9 | 108.1 | 171 | -70.5 | 174.6 | 71.5 | 0 | 0 | 109.9 | P190 | P190-M192 PolarHBondContact O-N 2.92Š| ||
| 193 | Q | 39.1 | Very low | 36.1 | Very low | 140 Ų | 140 | 111.6 Ų | 111.6 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | trans | -139.4 | 124.6 | 169.2 | -152.6 | 171.3 | -14.4 | 0 | 0 | 110.2 | Q191 | Q191-Q193 PolarHBondContact O-N 3.24Š| ||
| 194 | P | 38.1 | Very low | 35.8 | Very low | 132 Ų | 132 | 114.3 Ų | 114.3 | 86% | 0.857 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -81.9 | 121.8 | -177.6 | 31.3 | -32.2 | 0 | 0 | 0 | 110.8 | ||
| 195 | G | 35.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 114 Ų | 114 | 90% | 0.897 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 98.3 | 77.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 196 | G | 36.3 | Very low | 35.6 | Very low | 62 Ų | 62 | 113.5 Ų | 113.5 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | trans | 167.4 | 129.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q198 | G196-Q198 PolarHBondContact O-N 3.13Š| ||
| 197 | V | 30 | Very low | 35.6 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 98% | 0.976 | 64% | 0.642 | S | S | * | * | trans | -72.2 | 107.8 | 170.6 | -78.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 198 | Q | 31.8 | Very low | 35.5 | Very low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -125.9 | 131.8 | 175 | -70.7 | -168.9 | -1.1 | 0 | 0 | 110.8 | G196 | G196-Q198 PolarHBondContact O-N 3.13Š| ||
| 199 | A | 31.4 | Very low | 35.6 | Very low | 74 Ų | 74 | 108.9 Ų | 108.9 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | trans | -77.4 | 153.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V201 | A199-V201 PolarHBondContact O-N 3.07Š| ||
| 200 | P | 36.2 | Very low | 35.3 | Very low | 121 Ų | 121 | 109.8 Ų | 109.8 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | -64.7 | 122.4 | 178.7 | 26.4 | -34.5 | 0 | 0 | 0 | 111.5 | I202 | P200-I202 PolarHBondContact O-N 3.31Š| ||
| 201 | V | 35 | Very low | 35.1 | Very low | 87 Ų | 87 | 107.8 Ų | 107.8 | 53% | 0.527 | 66% | 0.659 | S | S | . | * | trans | -82.8 | 111 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | A199 | A199-V201 PolarHBondContact O-N 3.07Š| ||
| 202 | I | 32.9 | Very low | 34.8 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 43% | 0.431 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 108.6 | 171.2 | -59.8 | 178.4 | 0 | 0 | 0 | 108.1 | Q186 P200 | Q186-I202 HydrophobicContact CG-CG2 4.31Å; P200-I202 PolarHBondContact O-N 3.31Å |
| 203 | Q | 35.2 | Very low | 34.8 | Very low | 69 Ų | 69 | 104.5 Ų | 104.5 | 32% | 0.322 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 101.5 | 176.5 | -153.2 | 103.8 | 108.4 | 0 | 0 | 109.2 | V205 | Q203-V205 HydrophobicContact CG-CG2 4.29Å; Q203-V205 PolarHBondContact O-N 3.41Å |
| 204 | Q | 33.7 | Very low | 34.4 | Very low | 124 Ų | 124 | 103.7 Ų | 103.7 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 111.8 | 167.7 | -70 | -172.8 | 11.5 | 0 | 0 | 109.2 | L184 | L184-Q204 HydrophobicContact CD2-CG 4.32Å |
| 205 | V | 36.4 | Very low | 34.5 | Very low | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.467 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.6 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | Q203 A207 | Q203-V205 HydrophobicContact CG-CG2 4.29Å; Q203-V205 PolarHBondContact O-N 3.41Å; V205-A207 PolarHBondContact O-N 3.05Å |
| 206 | L | 34.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.9 | 166.9 | -105.6 | 64.3 | 0 | 0 | 0 | 109.3 | V182 | V182-L206 HydrophobicContact CG1-CD1 3.72Å; V182-L206 HydrophobicContact CG1-CD2 4.22Å; V182-L206 HydrophobicContact CG1-CG 3.87Å; V182-L206 HydrophobicContact CG2-CD2 4.39Å |
| 207 | A | 36.5 | Very low | 34.1 | Very low | 47 Ų | 47 | 111.4 Ų | 111.4 | 39% | 0.388 | 68% | 0.679 | S | S | . | * | trans | -106.3 | 116.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V205 | V205-A207 PolarHBondContact O-N 3.05Š| ||
| 208 | P | 37.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -72 | 132 | 174.1 | 28.8 | -32.8 | 0 | 0 | 0 | 110.6 | ||||
| 209 | L | 38.2 | Very low | 34 | Very low | 125 Ų | 125 | 106.3 Ų | 106.3 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | trans | -79.4 | 129 | 175.3 | -66.3 | 171.7 | 0 | 0 | 0 | 110.3 | V183 G211 | V183-L209 HydrophobicContact CG2-CD1 4.4Å; L209-G211 PolarHBondContact O-N 2.9Å | ||
| 210 | P | 34.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 110.9 Ų | 110.9 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | trans | -81.9 | 96.7 | 178.7 | 31.6 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 211 | G | 33.4 | Very low | 33.7 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | 177.9 | 115.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L209 | L209-G211 PolarHBondContact O-N 2.9Š| ||
| 212 | G | 32.9 | Very low | 33.3 | Very low | 71 Ų | 71 | 112.9 Ų | 112.9 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 122.7 | 98.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 213 | I | 31.9 | Very low | 33.3 | Very low | 167 Ų | 167 | 114.7 Ų | 114.7 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | 31.5 | 136.6 | 148.3 | 61.9 | 177.3 | 0 | 0 | 0 | 122 | ||||
| 214 | S | 31.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -61.9 | 136.4 | -169.1 | -37.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 215 | P | 40.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -104.1 | 131.4 | 142.2 | 32.5 | -25.8 | 0 | 0 | 0 | 110.8 | ||||
| 216 | Q | 28.8 | Very low | 33 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -70.4 | 162.2 | 160.5 | -72.8 | -158.1 | 4.2 | 0 | 0 | 110.1 | ||
| 217 | T | 33 | Very low | 32.8 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 78.7 | 92.2 | -176.6 | -28.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 218 | G | 26.8 | Very low | 32.6 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | -82.6 | 142.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | V | 32.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -126.7 | 120.3 | 159 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | I221 | V219-I221 PolarHBondContact O-N 3.11Š| ||
| 220 | I | 28.1 | Very low | 31.9 | Very low | 169 Ų | 169 | 120.2 Ų | 120.2 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | -80.5 | 114.4 | 177.5 | -59.5 | 176.6 | 0 | 0 | 0 | 107.8 | ||||
| 221 | I | 33.5 | Very low | 31.9 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 119.4 | 175.7 | -57.5 | -178 | 0 | 0 | 0 | 108.9 | V219 | V219-I221 PolarHBondContact O-N 3.11Š|
| 222 | Q | 26.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 51% | 0.505 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -92.8 | 134 | 178 | -148.5 | -168.1 | 118.6 | 0 | 0 | 109.2 | Q224 T238 | Q222-Q224 PolarHBondContact O-N 3.42Å; Q222-T238 PolarHBondContact OE1-O 3.31Å |
| 223 | P | 33 | Very low | 31.8 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.9 | 179.3 | 27.7 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 224 | Q | 32.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 138 | 171.1 | -70.5 | -178.8 | 48.3 | 0 | 0 | 110.5 | Q222 | Q222-Q224 PolarHBondContact O-N 3.42Š|
| 225 | Q | 31.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 140.1 | 164.6 | -83.8 | -171.9 | 74 | 0 | 0 | 110.1 | ||
| 226 | I | 34.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 46% | 0.462 | 68% | 0.68 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.3 | 172.7 | -55.9 | 172.2 | 0 | 0 | 0 | 107.2 | F228 T233 | I226-F228 HydrophobicContact CB-CE2 4.38Å; I226-F228 HydrophobicContact CG2-CD2 4.32Å; I226-F228 HydrophobicContact CG2-CE1 4.1Å; I226-F228 HydrophobicContact CG2-CE2 3.72Å; I226-F228 HydrophobicContact CG2-CZ 3.6Å; I226-T233 HydrophobicContact CG2-CG2 4.41Å |
| 227 | L | 29.9 | Very low | 31.8 | Very low | 101 Ų | 101 | 119 Ų | 119 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | 177.3 | -171 | 69.6 | 0 | 0 | 0 | 109.3 | T229 | L227-T229 HydrophobicContact CG-CG2 4.47Å |
| 228 | F | 33.2 | Very low | 31.8 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.8 | 178.2 | -65.3 | -80.8 | 0 | 0 | 0 | 110.6 | I226 T233 | I226-F228 HydrophobicContact CB-CE2 4.38Å; I226-F228 HydrophobicContact CG2-CD2 4.32Å; I226-F228 HydrophobicContact CG2-CE1 4.1Å; I226-F228 HydrophobicContact CG2-CE2 3.72Å; I226-F228 HydrophobicContact CG2-CZ 3.6Å; F228-T233 HydrophobicContact CE1-CG2 4.41Å |
| 229 | T | 30.6 | Very low | 32.2 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.9 | 168.3 | 72.6 | 0 | 0 | 0 | 0 | 108.3 | L227 N231 K232 | L227-T229 HydrophobicContact CG-CG2 4.47Å; T229-N231 PolarHBondContact O-N 3.5Å; T229-K232 PolarHBondContact O-N 3.17Å; T229-K232 VanDerWaalsContact O-O 3.14Å |
| 230 | G | 29.6 | Very low | 32.3 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.8 | 127 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K232 | G230-K232 PolarHBondContact O-N 3.27Š|
| 231 | N | 34 | Very low | 32.3 | Very low | 178 Ų | 178 | 116.5 Ų | 116.5 | 95% | 0.952 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.6 | 11.9 | 178.1 | -68.3 | 30.6 | 0 | 0 | 0 | 117.2 | T229 | T229-N231 PolarHBondContact O-N 3.5Š|
| 232 | K | 31.9 | Very low | 32.2 | Very low | 167 Ų | 167 | 114.3 Ų | 114.3 | 73% | 0.726 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -141.8 | 110.9 | 176.6 | -67.5 | -169.7 | 175.8 | -177.5 | 0 | 112.8 | T229 G230 | T229-K232 PolarHBondContact O-N 3.17Å; T229-K232 VanDerWaalsContact O-O 3.14Å; G230-K232 PolarHBondContact O-N 3.27Å |
| 233 | T | 33.9 | Very low | 32.7 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 63% | 0.632 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.5 | 167.4 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | I226 F228 | I226-T233 HydrophobicContact CG2-CG2 4.41Å; F228-T233 HydrophobicContact CE1-CG2 4.41Å |
| 234 | Q | 30 | Very low | 32.7 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.4 | 173.8 | -177 | 176.8 | 79 | 0 | 0 | 109.6 | I236 | Q234-I236 HydrophobicContact CG-CG1 4.12Å |
| 235 | V | 33.8 | Very low | 33.2 | Very low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.6 | 168.1 | -70.4 | 0 | 0 | 0 | 0 | 109.2 | P237 | V235-P237 WeakPolarHBondContact O-CD 3.49Å |
| 236 | I | 31.8 | Very low | 33.4 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 52% | 0.518 | 70% | 0.697 | S | S | . | * | trans | -114.7 | 98.1 | 179.7 | -54.2 | 176.9 | 0 | 0 | 0 | 108.3 | Q234 T238 | Q234-I236 HydrophobicContact CG-CG1 4.12Å; I236-T238 PolarHBondContact O-N 2.89Å | ||
| 237 | P | 35.7 | Very low | 33.3 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 56% | 0.558 | 72% | 0.718 | S | S | * | * | trans | -79.2 | 114.2 | 175.1 | 29.9 | -32.1 | 0 | 0 | 0 | 110.8 | V235 T239 | V235-P237 WeakPolarHBondContact O-CD 3.49Å; P237-T239 PolarHBondContact O-N 3.32Å | ||
| 238 | T | 33.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | trans | -78.9 | 103.6 | 175.3 | -40.3 | 0 | 0 | 0 | 0 | 110.5 | Q222 I236 | Q222-T238 PolarHBondContact OE1-O 3.31Å; I236-T238 PolarHBondContact O-N 2.89Å | ||
| 239 | T | 34.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -94.6 | 122 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | P237 | P237-T239 PolarHBondContact O-N 3.32Š| ||
| 240 | V | 34.2 | Very low | 34 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -118.5 | 132.9 | 165.6 | -70 | 0 | 0 | 0 | 0 | 109 | ||||
| 241 | A | 29.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -110.6 | 139.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 242 | A | 31.5 | Very low | 34.3 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -162.3 | 157.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 243 | P | 35.6 | Very low | 34.3 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | -103.8 | 176.6 | -141.3 | 0.1 | 21.7 | 0 | 0 | 0 | 118.4 | ||||
| 244 | T | 33.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -80.1 | 172.5 | -169.4 | 25.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 245 | P | 42.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -110.1 | -172.4 | -148.9 | 43.9 | -39.4 | 0 | 0 | 0 | 116.3 | ||||
| 246 | A | 35.9 | Very low | 34.8 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -128.9 | 156.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 247 | Q | 33.5 | Very low | 35 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -109.5 | 153 | -163.6 | -58.9 | 166.9 | -23.3 | 0 | 0 | 114.6 | ||||
| 248 | A | 37.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -175.9 | 110.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 249 | Q | 35.5 | Very low | 35.4 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | 79.1 | 125 | 69.1 | -87.7 | -161.8 | -23.3 | 0 | 0 | 117.1 | |||||
| 250 | I | 35.7 | Very low | 35.7 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | trans | 60.4 | 147.4 | 149.7 | 69.6 | -177.2 | 0 | 0 | 0 | 119.3 | ||||
| 251 | T | 33.7 | Very low | 36.1 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | cis | -164.9 | 136.4 | 8.6 | 6.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 252 | A | 35.2 | Very low | 36.5 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | 101 | 138.3 | 61.2 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 253 | T | 32.5 | Very low | 36.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 90.8 | 139 | 157.7 | 70.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 254 | G | 35.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 124 | 64.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 255 | Q | 35.4 | Very low | 36.9 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | 41.9 | 115.6 | 98.4 | -77.8 | -166.5 | -11.1 | 0 | 0 | 119.2 | |||||
| 256 | Q | 37.8 | Very low | 36.8 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | -178.3 | 153.6 | 118 | -98.3 | 171.8 | 14.1 | 0 | 0 | 114.6 | |||||
| 257 | Q | 36.7 | Very low | 37.2 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -144.8 | -170.9 | 177.7 | -134.4 | -162.8 | -12.4 | 0 | 0 | 105.5 | ||||
| 258 | P | 43.1 | Very low | 37.9 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | cis | -142.6 | -154.3 | -2.5 | 30.9 | -2.9 | 0 | 0 | 0 | 114.8 | ||||
| 259 | Q | 34.8 | Very low | 38.5 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 86.9 | 144.1 | 159.3 | -65.6 | 177.1 | -19.2 | 0 | 0 | 119.4 | ||||
| 260 | A | 39.8 | Very low | 39.2 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | cis | -171.3 | 171.8 | -17 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 261 | Q | 42.3 | Very low | 40 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 88 | 154.2 | 148.4 | -89.4 | 175.2 | 19.1 | 0 | 0 | 120.8 | ||||
| 262 | P | 39.5 | Very low | 40.8 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | -132.8 | -170.1 | -110.5 | 43.7 | -26 | 0 | 0 | 0 | 117 | |||||
| 263 | A | 31.5 | Very low | 42 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -73.7 | 162.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 264 | Q | 41.3 | Very low | 42.5 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -127.8 | 139.9 | 155.8 | -77.9 | -171.3 | -20.4 | 0 | 0 | 110.7 | ||||
| 265 | T | 35.2 | Very low | 43.4 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -95.1 | 145.5 | -178.8 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 266 | Q | 41.6 | Very low | 44 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -150.4 | 144.3 | 155.2 | -112.8 | 165.9 | 57.3 | 0 | 0 | 110.4 | ||||
| 267 | A | 43.7 | Very low | 44.7 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 158.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 268 | P | 47.5 | Very low | 45.3 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.6 | 175.2 | 29.8 | -34.7 | 0 | 0 | 0 | 111.6 | V270 | P268-V270 PolarHBondContact O-N 3.24Š|
| 269 | L | 51.2 | Low | 45.6 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116.6 | 175.1 | -73.4 | 154.6 | 0 | 0 | 0 | 110.1 | L271 | L269-L271 PolarHBondContact O-N 3.12Š|
| 270 | V | 48.9 | Very low | 46.5 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 118.1 | 165.2 | -73.9 | 0 | 0 | 0 | 0 | 109.3 | P268 Q272 | P268-V270 PolarHBondContact O-N 3.24Å; V270-Q272 PolarHBondContact O-N 3.15Å |
| 271 | L | 52.9 | Low | 46.9 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -89 | 86.7 | 174.7 | -163.3 | 78 | 0 | 0 | 0 | 109.1 | L269 | L269-L271 PolarHBondContact O-N 3.12Š| ||
| 272 | Q | 51.5 | Low | 47.4 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -82.7 | 122.3 | 168.4 | -62.4 | -175.7 | -82.3 | 0 | 0 | 108.9 | V270 | V270-Q272 PolarHBondContact O-N 3.15Š| ||
| 273 | V | 59.1 | Low | 48.2 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -112.8 | 111.5 | 166.8 | 171.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 274 | D | 43.3 | Very low | 49.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -68 | 152.1 | 171 | 179.8 | 31 | 0 | 0 | 0 | 111.1 | ||||
| 275 | G | 53.8 | Low | 50.2 | Low | 75 Ų | 75 | 137.6 Ų | 137.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 179.8 | 61.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 276 | T | 48.1 | Very low | 51.2 | Low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 139.7 | 172.6 | 59 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 277 | G | 53.1 | Low | 51.8 | Low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 172.1 | 132.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 278 | D | 50.2 | Low | 52.5 | Low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | 49.5 | 124.3 | 168.2 | -63.7 | -18 | 0 | 0 | 0 | 119.4 | ||||
| 279 | T | 49 | Very low | 52.7 | Low | 119 Ų | 119 | 144.6 Ų | 144.6 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | cis | 96.4 | 129.6 | 27.1 | 74.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 280 | S | 52.5 | Low | 52.9 | Low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 63.9 | 129 | 174.6 | -79.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 281 | S | 48.8 | Very low | 53.5 | Low | 94 Ų | 94 | 147.1 Ų | 147.1 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | cis | 91.6 | 117.4 | 29 | 79.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 282 | E | 53.3 | Low | 53.9 | Low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 156 | 110.1 | 156 | -90.3 | 162.3 | -167 | 0 | 0 | 105.1 | ||||
| 283 | E | 55.6 | Low | 54 | Low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | 92.4 | 166.7 | 79.6 | -83.1 | -177.3 | -174.2 | 0 | 0 | 111.7 | |||||
| 284 | D | 58 | Low | 54.2 | Low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 78.1 | 134.5 | -177 | -47 | -22.4 | 0 | 0 | 0 | 117.3 | ||||
| 285 | E | 56.5 | Low | 54.8 | Low | 177 Ų | 177 | 147.3 Ų | 147.3 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | cis | -157.1 | 148.8 | -12 | -120.1 | 170.1 | 175.8 | 0 | 0 | 108.4 | ||||
| 286 | D | 56.9 | Low | 55.1 | Low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -84.7 | 140.5 | -177.9 | -48.4 | -72 | 0 | 0 | 0 | 112.2 | ||||
| 287 | E | 54.6 | Low | 55.6 | Low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -152.7 | 99.4 | 160 | -118.1 | 169.8 | -153.2 | 0 | 0 | 110.4 | ||||
| 288 | E | 56.7 | Low | 55.6 | Low | 197 Ų | 197 | 156.9 Ų | 156.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -101 | 128.4 | 168.4 | -66 | -142.6 | -155.3 | 0 | 0 | 109.5 | ||||
| 289 | E | 52.6 | Low | 56.1 | Low | 147 Ų | 147 | 159.6 Ų | 159.6 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -111.9 | 101.1 | 170.1 | -72.9 | -165.8 | 163.2 | 0 | 0 | 110.3 | Y291 | E289-Y291 HydrophobicContact CB-CD2 4.42Å; E289-Y291 HydrophobicContact CB-CE2 3.94Å; E289-Y291 WeakPolarHBondContact OE2-CE2 3.32Å; E289-Y291 PolarHBondContact OE2-OH 3.45Å | ||
| 290 | D | 54.4 | Low | 56.5 | Low | 164 Ų | 164 | 162.9 Ų | 162.9 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -61.2 | 138.9 | 159.8 | -94.8 | -40.9 | 0 | 0 | 0 | 110 | ||||
| 291 | Y | 63.5 | Low | 56.8 | Low | 187 Ų | 187 | 167 Ų | 167 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -133.9 | 130.7 | 161.7 | -78.8 | -70.8 | 0 | 0 | 0 | 110.9 | E289 | E289-Y291 HydrophobicContact CB-CD2 4.42Å; E289-Y291 HydrophobicContact CB-CE2 3.94Å; E289-Y291 WeakPolarHBondContact OE2-CE2 3.32Å; E289-Y291 PolarHBondContact OE2-OH 3.45Å | ||
| 292 | D | 59.4 | Low | 56.9 | Low | 151 Ų | 151 | 170.5 Ų | 170.5 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | trans | -58.1 | 143.4 | -165.6 | -67.1 | -70.3 | 0 | 0 | 0 | 115.7 | ||||
| 293 | D | 54.7 | Low | 56.6 | Low | 146 Ų | 146 | 165.9 Ų | 165.9 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -99.3 | 90.5 | 166.1 | -171.2 | 28.4 | 0 | 0 | 0 | 108.6 | E295 | D293-E295 PolarHBondContact O-N 2.94Š| ||
| 294 | D | 63 | Low | 56.4 | Low | 145 Ų | 145 | 162.6 Ų | 162.6 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -81.6 | 84.2 | 178.2 | -89.8 | -32.1 | 0 | 0 | 0 | 111 | E296 | D294-E296 PolarHBondContact O-N 2.83Š| ||
| 295 | E | 55.3 | Low | 56.2 | Low | 176 Ų | 176 | 164.8 Ų | 164.8 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -74 | 106.7 | 160 | -73.6 | -167.3 | 146.9 | 0 | 0 | 110.3 | D293 | D293-E295 PolarHBondContact O-N 2.94Š| ||
| 296 | E | 60.6 | Low | 55.9 | Low | 186 Ų | 186 | 164.4 Ų | 164.4 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | -111.1 | 118.9 | 168.2 | -91.7 | -89 | 158.3 | 0 | 0 | 111.1 | D294 | D294-E296 PolarHBondContact O-N 2.83Š| ||
| 297 | E | 58 | Low | 55.5 | Low | 168 Ų | 168 | 159.7 Ų | 159.7 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -68.7 | 159.8 | -174.6 | -75.4 | 178.8 | 131.8 | 0 | 0 | 115 | ||||
| 298 | D | 54.4 | Low | 55.4 | Low | 129 Ų | 129 | 159.7 Ų | 159.7 | 69% | 0.69 | 82% | 0.823 | S | S | * | * | trans | 55.9 | 101.7 | 144.8 | -66.9 | -10.3 | 0 | 0 | 0 | 120.7 | ||||
| 299 | K | 60.9 | Low | 55.6 | Low | 208 Ų | 208 | 155.5 Ų | 155.5 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -133.7 | 92.6 | 135 | -71.7 | -160.8 | 177.8 | 81.6 | 0 | 112.1 | K301 | K299-K301 PolarHBondContact O-N 2.83Š| ||
| 300 | E | 56.2 | Low | 55.9 | Low | 188 Ų | 188 | 157.2 Ų | 157.2 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -51.9 | 133.1 | 162.2 | -60.8 | -178.8 | 145.1 | 0 | 0 | 111 | ||||
| 301 | K | 59.9 | Low | 56.2 | Low | 198 Ų | 198 | 157.2 Ų | 157.2 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -152.8 | 109.1 | 158.2 | -164.2 | -179.2 | 179.1 | -169.9 | 0 | 111.8 | K299 | K299-K301 PolarHBondContact O-N 2.83Š| ||
| 302 | D | 50.1 | Low | 56.2 | Low | 168 Ų | 168 | 155.6 Ų | 155.6 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -56.3 | 136.6 | 172.5 | -63.3 | -63.2 | 0 | 0 | 0 | 112.5 | ||||
| 303 | G | 47.7 | Very low | 56.7 | Low | 78 Ų | 78 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -163.5 | 89.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 304 | A | 51.5 | Low | 57.2 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -75.8 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 305 | E | 53.6 | Low | 57.3 | Low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 97.7 | 83.3 | 158.4 | -149.4 | 161.6 | -151.6 | 0 | 0 | 117.4 | ||||
| 306 | D | 49 | Very low | 57.6 | Low | 168 Ų | 168 | 148 Ų | 148 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | 43.5 | 108.9 | 128 | -142.4 | 44.3 | 0 | 0 | 0 | 119 | |||||
| 307 | G | 50.3 | Low | 57.9 | Low | 64 Ų | 64 | 148.5 Ų | 148.5 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -174.2 | 77.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V309 | G307-V309 VanDerWaalsContact C-N 3.3Å; G307-V309 PolarHBondContact O-N 3.1Å | ||
| 308 | Q | 52.3 | Low | 58.6 | Low | 193 Ų | 193 | 145.5 Ų | 145.5 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 85.6 | 173.3 | -172.2 | 175.4 | 22 | 0 | 0 | 110.3 | ||||
| 309 | V | 59.6 | Low | 59.2 | Low | 109 Ų | 109 | 146.4 Ų | 146.4 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | -94.1 | 123.7 | 160.9 | -72.9 | 0 | 0 | 0 | 0 | 108.2 | G307 E311 | G307-V309 VanDerWaalsContact C-N 3.3Å; G307-V309 PolarHBondContact O-N 3.1Å; V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 HydrophobicContact CG2-CG 4.05Å; V309-E311 PolarHBondContact O-N 3.34Å | ||
| 310 | E | 60.1 | Low | 59.4 | Low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 93.9 | 160.9 | -71 | -170.3 | 141.7 | 0 | 0 | 106.6 | E312 | E310-E312 PolarHBondContact O-N 2.91Š| ||
| 311 | E | 61.3 | Low | 59.5 | Low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 110.7 | 164.7 | -65.8 | -164.6 | 158.1 | 0 | 0 | 107.2 | V309 | V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 HydrophobicContact CG2-CG 4.05Å; V309-E311 PolarHBondContact O-N 3.34Å | ||
| 312 | E | 63.3 | Low | 59.7 | Low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | trans | -52.5 | 138 | 171.8 | -65.2 | -178.4 | 169.7 | 0 | 0 | 108.8 | E310 L314 | E310-E312 PolarHBondContact O-N 2.91Å; E312-L314 PolarHBondContact O-N 3.11Å | ||
| 313 | P | 69.5 | Low | 60.3 | Low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 115.9 | -174.9 | 23.6 | -33.2 | 0 | 0 | 0 | 109.6 | N315 S316 | P313-N315 PolarHBondContact O-N 2.99Å; P313-N315 VanDerWaalsContact O-N 3.14Å; P313-S316 WeakPolarHBondContact O-CB 3.29Å; P313-S316 PolarHBondContact O-N 3.24Å; P313-S316 PolarHBondContact O-OG 2.81Å | ||
| 314 | L | 64 | Low | 60.8 | Low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | 123.8 | 170.1 | -61 | 173.2 | 0 | 0 | 0 | 107.4 | E312 | E312-L314 PolarHBondContact O-N 3.11Š|
| 315 | N | 65.8 | Low | 61 | Low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.2 | 16.1 | -165.5 | -144.9 | 89.3 | 0 | 0 | 0 | 117.1 | P313 | P313-N315 PolarHBondContact O-N 2.99Å; P313-N315 VanDerWaalsContact O-N 3.14Å |
| 316 | S | 61.5 | Low | 61.3 | Low | 69 Ų | 69 | 131.6 Ų | 131.6 | 48% | 0.483 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -78.2 | -19.3 | 170.7 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | P313 | P313-S316 WeakPolarHBondContact O-CB 3.29Å; P313-S316 PolarHBondContact O-N 3.24Å; P313-S316 PolarHBondContact O-OG 2.81Å |
| 317 | E | 66.8 | Low | 61.7 | Low | 195 Ų | 195 | 130.9 Ų | 130.9 | 91% | 0.911 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -102.8 | -5.1 | -179 | -164.3 | 167 | 86 | 0 | 0 | 113.2 | D319 | E317-D319 PolarHBondContact O-N 2.86Š|
| 318 | D | 73 | Confident | 62.1 | Low | 106 Ų | 106 | 134.3 Ų | 134.3 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | trans | -88.7 | 43.1 | 172.1 | -161.7 | 27.9 | 0 | 0 | 0 | 111.3 | V320 | D318-V320 VanDerWaalsContact C-N 3.28Å; D318-V320 PolarHBondContact O-N 2.96Å | ||
| 319 | D | 67.5 | Low | 62.5 | Low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -83.7 | 76.2 | 178 | -154.3 | 20.7 | 0 | 0 | 0 | 108.7 | E317 S321 | E317-D319 PolarHBondContact O-N 2.86Å; D319-S321 PolarHBondContact O-N 2.8Å; D319-S321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | V | 64 | Low | 62.9 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | -56.4 | 113.3 | 173.1 | -76.4 | 0 | 0 | 0 | 0 | 109.5 | D318 D322 | D318-V320 VanDerWaalsContact C-N 3.28Å; D318-V320 PolarHBondContact O-N 2.96Å; V320-D322 PolarHBondContact O-N 3.24Å; V320-D322 VanDerWaalsContact O-N 3.11Å | ||
| 321 | S | 59.2 | Low | 63.6 | Low | 79 Ų | 79 | 130.2 Ų | 130.2 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | trans | -62.5 | 117.3 | -175.8 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | D319 E323 E324 | D319-S321 PolarHBondContact O-N 2.8Å; D319-S321 VanDerWaalsContact O-N 3.1Å; S321-E323 PolarHBondContact O-N 2.85Å; S321-E324 PolarHBondContact O-N 2.76Å | ||
| 322 | D | 63.4 | Low | 64.7 | Low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -10.7 | 179.3 | -166.3 | 41.3 | 0 | 0 | 0 | 114.3 | V320 | V320-D322 PolarHBondContact O-N 3.24Å; V320-D322 VanDerWaalsContact O-N 3.11Å |
| 323 | E | 62.6 | Low | 66 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -34.4 | 174.8 | -161.3 | 163.8 | 159 | 0 | 0 | 113.3 | S321 G325 Q326 | S321-E323 PolarHBondContact O-N 2.85Å; E323-G325 VanDerWaalsContact C-N 3.26Å; E323-G325 PolarHBondContact O-N 3.21Å; E323-Q326 PolarHBondContact O-N 2.88Å |
| 324 | E | 58.3 | Low | 67.1 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.5 | -23.5 | 178.8 | -163.4 | 171.4 | -162.3 | 0 | 0 | 112 | S321 Q326 | S321-E324 PolarHBondContact O-N 2.76Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.92Å |
| 325 | G | 57.2 | Low | 68.5 | Low | 38 Ų | 38 | 117.9 Ų | 117.9 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67 | -22.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E323 F329 | E323-G325 VanDerWaalsContact C-N 3.26Å; E323-G325 PolarHBondContact O-N 3.21Å; G325-F329 VanDerWaalsContact O-CD2 3.27Å; G325-F329 WeakPolarHBondContact O-CD2 3.5Å; G325-F329 VanDerWaalsContact O-CE2 3.31Å; G325-F329 WeakPolarHBondContact O-CE2 3.35Å |
| 326 | Q | 59.3 | Low | 70 | Confident | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.1 | -38 | -177.1 | -62.5 | -171.9 | 11.3 | 0 | 0 | 112.5 | E323 E324 L328 F329 | E323-Q326 PolarHBondContact O-N 2.88Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.92Å; Q326-L328 PolarHBondContact O-N 2.93Å; Q326-F329 PolarHBondContact O-N 3.38Å |
| 327 | E | 57.9 | Low | 71.6 | Confident | 154 Ų | 154 | 115.9 Ų | 115.9 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -25.6 | 179 | -65.7 | -160 | 162.1 | 0 | 0 | 112.7 | F329 D330 | E327-F329 PolarHBondContact O-N 2.96Å; E327-F329 VanDerWaalsContact O-N 3.16Å; E327-D330 PolarHBondContact O-N 2.89Å; E327-D330 VanDerWaalsContact O-N 3.13Å |
| 328 | L | 58.4 | Low | 73.1 | Confident | 136 Ų | 136 | 111.5 Ų | 111.5 | 71% | 0.712 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -58.4 | -30.9 | 178.3 | -144.5 | 81.5 | 0 | 0 | 0 | 112.5 | Q326 T331 | Q326-L328 PolarHBondContact O-N 2.93Å; L328-T331 PolarHBondContact O-OG1 3.19Å |
| 329 | F | 59.5 | Low | 74.3 | Confident | 177 Ų | 177 | 114.4 Ų | 114.4 | 78% | 0.776 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -83.8 | -16.8 | -179 | -63.3 | -77 | 0 | 0 | 0 | 114.3 | G325 Q326 E327 T331 | G325-F329 VanDerWaalsContact O-CD2 3.27Å; G325-F329 WeakPolarHBondContact O-CD2 3.5Å; G325-F329 VanDerWaalsContact O-CE2 3.31Å; G325-F329 WeakPolarHBondContact O-CE2 3.35Å; Q326-F329 PolarHBondContact O-N 3.38Å; E327-F329 PolarHBondContact O-N 2.96Å; E327-F329 VanDerWaalsContact O-N 3.16Å; F329-T331 PolarHBondContact O-N 3.35Å |
| 330 | D | 67.7 | Low | 75.7 | Confident | 150 Ų | 150 | 110.9 Ų | 110.9 | 80% | 0.802 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -87.5 | 13.8 | 178.6 | -84.1 | -24.2 | 0 | 0 | 0 | 113 | E327 E332 | E327-D330 PolarHBondContact O-N 2.89Å; E327-D330 VanDerWaalsContact O-N 3.13Å; D330-E332 PolarHBondContact O-N 2.9Å |
| 331 | T | 76.6 | Confident | 77.3 | Confident | 72 Ų | 72 | 111.8 Ų | 111.8 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | trans | -72.5 | 116.3 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | L328 F329 N333 V334 | L328-T331 PolarHBondContact O-OG1 3.19Å; F329-T331 PolarHBondContact O-N 3.35Å; T331-N333 VanDerWaalsContact C-N 3.32Å; T331-N333 WeakPolarHBondContact CG2-O 3.21Å; T331-N333 PolarHBondContact O-N 3.47Å; T331-V334 HydrophobicContact CG2-CG2 3.85Å; T331-V334 WeakPolarHBondContact O-CG2 3.32Å | ||
| 332 | E | 82.8 | Confident | 79.1 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -62.9 | -33.1 | 178.9 | -175.6 | -168.7 | -165.4 | 0 | 0 | 113.8 | D330 | D330-E332 PolarHBondContact O-N 2.9Š|
| 333 | N | 90.9 | Very high | 80.7 | Confident | 63 Ų | 63 | 109.6 Ų | 109.6 | 34% | 0.337 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -124.6 | 103.6 | -171.4 | -64.4 | -86.8 | 0 | 0 | 0 | 110.2 | T331 N359 L360 N361 | T331-N333 VanDerWaalsContact C-N 3.32Å; T331-N333 WeakPolarHBondContact CG2-O 3.21Å; T331-N333 PolarHBondContact O-N 3.47Å; N333-N359 CarbonylContact C-O 3.54Å; N333-N359 VanDerWaalsContact CA-O 3.32Å; N333-N359 WeakPolarHBondContact CA-O 3.3Å; N333-L360 HydrophobicContact CB-CD2 4.06Å; N333-L360 WeakPolarHBondContact OD1-CA 3.44Å; N333-N361 PolarHBondContact OD1-N 3.23Å |
| 334 | V | 92.7 | Very high | 82.3 | Confident | 62 Ų | 62 | 108.5 Ų | 108.5 | 38% | 0.376 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.9 | -171.6 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | T331 V336 M358 N359 | T331-V334 HydrophobicContact CG2-CG2 3.85Å; T331-V334 WeakPolarHBondContact O-CG2 3.32Å; V334-V336 HydrophobicContact CG1-CG2 4.16Å; V334-M358 CarbonylContact O-C 3.56Å; V334-M358 VanDerWaalsContact O-CA 3.27Å; V334-M358 WeakPolarHBondContact O-CA 3.34Å; V334-N359 PolarHBondContact N-O 3.05Å; V334-N359 PolarHBondContact O-N 2.98Å |
| 335 | V | 94.6 | Very high | 84.1 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.2 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | C337 M358 F367 | V335-C337 HydrophobicContact CG1-CB 4.38Å; V335-M358 HydrophobicContact CB-CG 4.31Å; V335-M358 HydrophobicContact CG1-CG 3.94Å; V335-M358 HydrophobicContact CG2-CB 4.01Å; V335-M358 HydrophobicContact CG2-CG 3.77Å; V335-M358 HydrophobicContact CG2-SD 4.13Å; V335-F367 HydrophobicContact CG1-CE1 3.99Å; V335-F367 HydrophobicContact CG1-CZ 4.24Å |
| 336 | V | 95.4 | Very high | 86 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.7 | 173 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | V334 G356 I357 | V334-V336 HydrophobicContact CG1-CG2 4.16Å; V336-G356 CarbonylContact O-C 3.51Å; V336-G356 WeakPolarHBondContact O-CA 3.46Å; V336-I357 PolarHBondContact N-O 2.81Å; V336-I357 PolarHBondContact O-N 3.47Å |
| 337 | C | 96.7 | Very high | 87.8 | Confident | 46 Ų | 46 | 108 Ų | 108 | 31% | 0.311 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 170.2 | -176 | 66.3 | 0 | 0 | 0 | 0 | 112 | V335 K354 G356 F367 | V335-C337 HydrophobicContact CG1-CB 4.38Å; C337-K354 WeakPolarHBondContact CB-O 3.44Å; C337-G356 VanDerWaalsContact CB-CA 3.48Å; C337-F367 HydrophobicContact CB-CE1 4.44Å; C337-F367 HydrophobicContact CB-CE2 4.05Å; C337-F367 HydrophobicContact CB-CZ 3.53Å |
| 338 | Q | 97.8 | Very high | 89.6 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 158.5 | 166.2 | -62.5 | 171.8 | 56.4 | 0 | 0 | 110.5 | L353 K354 D355 | Q338-L353 CarbonylContact O-C 3.56Å; Q338-L353 WeakPolarHBondContact O-CA 3.36Å; Q338-K354 HydrophobicContact CB-CD 4.46Å; Q338-K354 HydrophobicContact CB-CG 3.76Å; Q338-K354 PolarHBondContact N-O 3.42Å; Q338-K354 PolarHBondContact O-N 2.97Å; Q338-K354 VanDerWaalsContact OE1-CE 3.28Å; Q338-D355 PolarHBondContact NE2-OD2 3.15Å |
| 339 | Y | 97.4 | Very high | 91.5 | Very high | 167 Ų | 167 | 103.5 Ų | 103.5 | 66% | 0.655 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.6 | 169.6 | 66 | -90.3 | 0 | 0 | 0 | 111.7 | I342 | Y339-I342 HydrophobicContact CD2-CG1 4.2Å; Y339-I342 HydrophobicContact CG-CD1 4.39Å; Y339-I342 HydrophobicContact CG-CG1 4.27Å |
| 340 | D | 97.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 99.2 Ų | 99.2 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -42.1 | 167.1 | -92.8 | -22.4 | 0 | 0 | 0 | 110.5 | H352 K354 K369 | D340-H352 HydrophobicContact CB-CB 4.19Å; D340-H352 PolarHBondContact N-O 2.64Å; D340-K354 VanDerWaalsContact OD1-CD 3.29Å; D340-K354 WeakPolarHBondContact OD1-CD 3.2Å; D340-K354 WeakPolarHBondContact OD1-CE 3.32Å; D340-K354 IonicContact OD1-NZ 2.69Å; D340-K354 PolarHBondContact OD1-NZ 3.12Å; D340-K369 IonicContact OD2-NZ 2.89Å; D340-K369 PolarHBondContact OD2-NZ 3.36Å |
| 341 | K | 96.9 | Very high | 94.7 | Very high | 135 Ų | 135 | 95 Ų | 95 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 121.6 | -176.1 | -174.3 | 172.9 | -66.1 | -179.3 | 0 | 112 | H352 | K341-H352 HydrophobicContact CB-CB 4.09Å; K341-H352 PolarHBondContact N-O 3.09Å; K341-H352 WeakPolarHBondContact O-CB 3.41Å; K341-H352 PolarHBondContact O-N 3.2Å |
| 342 | I | 97.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 94.8 Ų | 94.8 | 36% | 0.359 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.9 | 168.6 | -49.8 | -48.9 | 0 | 0 | 0 | 108.4 | Y339 W349 F351 L353 | Y339-I342 HydrophobicContact CD2-CG1 4.2Å; Y339-I342 HydrophobicContact CG-CD1 4.39Å; Y339-I342 HydrophobicContact CG-CG1 4.27Å; I342-W349 HydrophobicContact CG2-CE3 3.91Å; I342-W349 HydrophobicContact CG2-CZ3 3.91Å; I342-F351 HydrophobicContact CD1-CB 4.06Å; I342-F351 HydrophobicContact CD1-CD1 3.91Å; I342-F351 HydrophobicContact CD1-CG 4.45Å; I342-F351 HydrophobicContact CG2-CD1 4.22Å; I342-F351 HydrophobicContact CG2-CE1 4.44Å; I342-L353 HydrophobicContact CD1-CD2 4.22Å |
| 343 | H | 96.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 90.6 Ų | 90.6 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.8 | 179.8 | 176.1 | 76 | 0 | 0 | 0 | 110.8 | W349 K350 | H343-W349 CarbonylContact O-C 3.52Å; H343-W349 WeakPolarHBondContact O-CA 3.48Å; H343-K350 HydrophobicContact CB-CB 4.37Å; H343-K350 PolarHBondContact N-O 3.42Å; H343-K350 PolarHBondContact O-N 2.57Å |
| 344 | R | 96.7 | Very high | 96.7 | Very high | 139 Ų | 139 | 90 Ų | 90 | 53% | 0.525 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.5 | 175.8 | -172.7 | -177.7 | 67.1 | 99.4 | -10.5 | 110.9 | K346 K348 W349 | R344-K346 WeakPolarHBondContact CG-O 3.29Å; R344-K346 PolarHBondContact NH1-O 3.48Å; R344-K348 CarbonylContact C-O 3.55Å; R344-K348 WeakPolarHBondContact CA-O 3.42Å; R344-W349 HydrophobicContact CB-CD2 4.07Å; R344-W349 HydrophobicContact CB-CE3 3.93Å; R344-W349 HydrophobicContact CB-CZ3 4.19Å; R344-W349 VanDerWaalsContact CD-CE2 3.48Å; R344-W349 VanDerWaalsContact CD-CZ2 3.48Å; R344-W349 HydrophobicContact CG-CD2 3.95Å; R344-W349 HydrophobicContact CG-CE3 4.31Å; R344-W349 HydrophobicContact CG-CG 4.33Å; R344-W349 HydrophobicContact CG-CZ2 4.37Å |
| 345 | S | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 91.5 Ų | 91.5 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 112.3 | 169.6 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | N347 K348 | S345-N347 PolarHBondContact O-N 3.46Å; S345-K348 PolarHBondContact N-O 3.08Å; S345-K348 PolarHBondContact O-N 3.48Å |
| 346 | K | 96 | Very high | 96.9 | Very high | 177 Ų | 177 | 88.1 Ų | 88.1 | 77% | 0.77 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -118.1 | -166.1 | -57.7 | 179.5 | 179.8 | 179.7 | 0 | 110.8 | R344 | R344-K346 WeakPolarHBondContact CG-O 3.29Å; R344-K346 PolarHBondContact NH1-O 3.48Å |
| 347 | N | 96.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 86.4 Ų | 86.4 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.3 | 177.3 | 64.5 | -41.3 | 0 | 0 | 0 | 113.9 | S345 E375 W376 | S345-N347 PolarHBondContact O-N 3.46Å; N347-E375 WeakPolarHBondContact O-CA 3.25Å; N347-W376 WeakPolarHBondContact CB-O 3.43Å; N347-W376 PolarHBondContact O-N 3.41Å |
| 348 | K | 96.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 86.2 Ų | 86.2 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127 | -179.6 | -63.1 | 178.8 | -179 | -71.9 | 0 | 110.6 | R344 S345 E375 | R344-K348 CarbonylContact C-O 3.55Å; R344-K348 WeakPolarHBondContact CA-O 3.42Å; S345-K348 PolarHBondContact N-O 3.08Å; S345-K348 PolarHBondContact O-N 3.48Å; K348-E375 HydrophobicContact CG-CG 4.38Å; K348-E375 IonicContact NZ-OE1 2.57Å; K348-E375 PolarHBondContact NZ-OE1 3.43Å |
| 349 | W | 98.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 31% | 0.307 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 145.4 | 173.7 | -68.5 | 88 | 0 | 0 | 0 | 110.9 | I342 H343 R344 F351 D373 A374 | I342-W349 HydrophobicContact CG2-CE3 3.91Å; I342-W349 HydrophobicContact CG2-CZ3 3.91Å; H343-W349 CarbonylContact O-C 3.52Å; H343-W349 WeakPolarHBondContact O-CA 3.48Å; R344-W349 HydrophobicContact CB-CD2 4.07Å; R344-W349 HydrophobicContact CB-CE3 3.93Å; R344-W349 HydrophobicContact CB-CZ3 4.19Å; R344-W349 VanDerWaalsContact CD-CE2 3.48Å; R344-W349 VanDerWaalsContact CD-CZ2 3.48Å; R344-W349 HydrophobicContact CG-CD2 3.95Å; R344-W349 HydrophobicContact CG-CE3 4.31Å; R344-W349 HydrophobicContact CG-CG 4.33Å; R344-W349 HydrophobicContact CG-CZ2 4.37Å; W349-F351 HydrophobicContact CB-CE1 4.34Å; W349-F351 HydrophobicContact CB-CE2 3.7Å; W349-F351 HydrophobicContact CB-CZ 3.51Å; W349-F351 HydrophobicContact CD2-CZ 4.49Å; W349-F351 HydrophobicContact CE3-CE1 4.39Å; W349-F351 HydrophobicContact CG-CZ 4.14Å; W349-D373 WeakPolarHBondContact O-CA 3.47Å; W349-A374 HydrophobicContact CB-CB 4.44Å; W349-A374 PolarHBondContact N-O 3.18Å; W349-A374 PolarHBondContact O-N 2.89Å |
| 350 | K | 97.5 | Very high | 96 | Very high | 87 Ų | 87 | 78 Ų | 78 | 38% | 0.378 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.4 | 171.9 | -76 | -176 | 174.1 | -69.9 | 0 | 109.2 | H343 G372 D373 | H343-K350 HydrophobicContact CB-CB 4.37Å; H343-K350 PolarHBondContact N-O 3.42Å; H343-K350 PolarHBondContact O-N 2.57Å; K350-G372 WeakPolarHBondContact CA-O 3.13Å; K350-D373 WeakPolarHBondContact CE-OD1 3.36Å; K350-D373 VanDerWaalsContact CG-OD1 3.25Å; K350-D373 WeakPolarHBondContact CG-OD1 3.33Å; K350-D373 VanDerWaalsContact NZ-CG 3.33Å; K350-D373 IonicContact NZ-OD1 2.64Å; K350-D373 PolarHBondContact NZ-OD1 3.14Å; K350-D373 IonicContact NZ-OD2 3.2Å; K350-D373 PolarHBondContact NZ-OD2 2.95Å |
| 351 | F | 97.7 | Very high | 95.5 | Very high | 61 Ų | 61 | 80.3 Ų | 80.3 | 27% | 0.268 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.6 | -178.7 | -44.6 | -95.1 | 0 | 0 | 0 | 108.3 | I342 W349 L353 I371 G372 A374 | I342-F351 HydrophobicContact CD1-CB 4.06Å; I342-F351 HydrophobicContact CD1-CD1 3.91Å; I342-F351 HydrophobicContact CD1-CG 4.45Å; I342-F351 HydrophobicContact CG2-CD1 4.22Å; I342-F351 HydrophobicContact CG2-CE1 4.44Å; W349-F351 HydrophobicContact CB-CE1 4.34Å; W349-F351 HydrophobicContact CB-CE2 3.7Å; W349-F351 HydrophobicContact CB-CZ 3.51Å; W349-F351 HydrophobicContact CD2-CZ 4.49Å; W349-F351 HydrophobicContact CE3-CE1 4.39Å; W349-F351 HydrophobicContact CG-CZ 4.14Å; F351-L353 HydrophobicContact CB-CD1 4.42Å; F351-L353 HydrophobicContact CB-CD2 4.21Å; F351-L353 HydrophobicContact CB-CG 4.14Å; F351-I371 CarbonylContact O-C 3.6Å; F351-I371 VanDerWaalsContact O-CA 3.3Å; F351-I371 WeakPolarHBondContact O-CA 3.34Å; F351-G372 PolarHBondContact N-O 3.22Å; F351-G372 PolarHBondContact O-N 3.28Å; F351-A374 HydrophobicContact CE2-CB 3.7Å; F351-A374 HydrophobicContact CZ-CB 4.22Å |
| 352 | H | 97.6 | Very high | 95 | Very high | 69 Ų | 69 | 75.7 Ų | 75.7 | 32% | 0.319 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.8 | 164.4 | -64.8 | -103.1 | 0 | 0 | 0 | 107.2 | D340 K341 | D340-H352 HydrophobicContact CB-CB 4.19Å; D340-H352 PolarHBondContact N-O 2.64Å; K341-H352 HydrophobicContact CB-CB 4.09Å; K341-H352 PolarHBondContact N-O 3.09Å; K341-H352 WeakPolarHBondContact O-CB 3.41Å; K341-H352 PolarHBondContact O-N 3.2Å |
| 353 | L | 98.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 77.8 Ų | 77.8 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.8 | -174.3 | -52.6 | 174.9 | 0 | 0 | 0 | 109.7 | Q338 I342 F351 F367 K369 A370 | Q338-L353 CarbonylContact O-C 3.56Å; Q338-L353 WeakPolarHBondContact O-CA 3.36Å; I342-L353 HydrophobicContact CD1-CD2 4.22Å; F351-L353 HydrophobicContact CB-CD1 4.42Å; F351-L353 HydrophobicContact CB-CD2 4.21Å; F351-L353 HydrophobicContact CB-CG 4.14Å; L353-F367 HydrophobicContact CB-CE2 3.9Å; L353-F367 HydrophobicContact CB-CZ 4.1Å; L353-K369 CarbonylContact O-C 3.55Å; L353-K369 VanDerWaalsContact O-CA 3.3Å; L353-K369 WeakPolarHBondContact O-CA 3.42Å; L353-A370 HydrophobicContact CB-CB 4.31Å; L353-A370 PolarHBondContact N-O 3.13Å; L353-A370 PolarHBondContact O-N 3.49Å |
| 354 | K | 96.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 74.1 Ų | 74.1 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.4 | 177.2 | 68.5 | 178.6 | 167.5 | -153.4 | 0 | 111.6 | C337 Q338 D340 G356 S368 | C337-K354 WeakPolarHBondContact CB-O 3.44Å; Q338-K354 HydrophobicContact CB-CD 4.46Å; Q338-K354 HydrophobicContact CB-CG 3.76Å; Q338-K354 PolarHBondContact N-O 3.42Å; Q338-K354 PolarHBondContact O-N 2.97Å; Q338-K354 VanDerWaalsContact OE1-CE 3.28Å; D340-K354 VanDerWaalsContact OD1-CD 3.29Å; D340-K354 WeakPolarHBondContact OD1-CD 3.2Å; D340-K354 WeakPolarHBondContact OD1-CE 3.32Å; D340-K354 IonicContact OD1-NZ 2.69Å; D340-K354 PolarHBondContact OD1-NZ 3.12Å; K354-G356 PolarHBondContact O-N 3.45Å; K354-S368 WeakPolarHBondContact CA-O 3.45Å; K354-S368 WeakPolarHBondContact CB-O 3.36Å |
| 355 | D | 95.2 | Very high | 93.9 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.8 | 57.1 | 168.3 | -50.3 | -36 | 0 | 0 | 0 | 112.7 | Q338 S368 | Q338-D355 PolarHBondContact NE2-OD2 3.15Å; D355-S368 PolarHBondContact N-O 3.27Å; D355-S368 VanDerWaalsContact N-O 3.11Å |
| 356 | G | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | V336 C337 K354 I366 F367 | V336-G356 CarbonylContact O-C 3.51Å; V336-G356 WeakPolarHBondContact O-CA 3.46Å; C337-G356 VanDerWaalsContact CB-CA 3.48Å; K354-G356 PolarHBondContact O-N 3.45Å; G356-I366 CarbonylContact O-C 3.49Å; G356-I366 VanDerWaalsContact O-CA 3.32Å; G356-I366 WeakPolarHBondContact O-CA 3.47Å; G356-F367 PolarHBondContact N-O 3.36Å; G356-F367 PolarHBondContact O-N 3.48Å |
| 357 | I | 93.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 63 Ų | 63 | 35% | 0.354 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.7 | 171.6 | -52.1 | -179.1 | 0 | 0 | 0 | 107.7 | V336 Y365 I366 | V336-I357 PolarHBondContact N-O 2.81Å; V336-I357 PolarHBondContact O-N 3.47Å; I357-Y365 CarbonylContact C-O 3.58Å; I357-Y365 WeakPolarHBondContact CA-O 3.25Å; I357-I366 HydrophobicContact CG1-CG1 4.41Å |
| 358 | M | 93.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.3 | 179.7 | -45 | -176.9 | -69.2 | 0 | 0 | 109.3 | V334 V335 L360 D364 Y365 F367 | V334-M358 CarbonylContact O-C 3.56Å; V334-M358 VanDerWaalsContact O-CA 3.27Å; V334-M358 WeakPolarHBondContact O-CA 3.34Å; V335-M358 HydrophobicContact CB-CG 4.31Å; V335-M358 HydrophobicContact CG1-CG 3.94Å; V335-M358 HydrophobicContact CG2-CB 4.01Å; V335-M358 HydrophobicContact CG2-CG 3.77Å; V335-M358 HydrophobicContact CG2-SD 4.13Å; M358-L360 HydrophobicContact CB-CD1 4.07Å; M358-L360 HydrophobicContact CB-CD2 4.44Å; M358-L360 HydrophobicContact CB-CG 3.92Å; M358-L360 HydrophobicContact CE-CD1 4.11Å; M358-L360 HydrophobicContact SD-CD1 4.24Å; M358-D364 CarbonylContact O-C 3.57Å; M358-D364 WeakPolarHBondContact O-CA 3.37Å; M358-Y365 HydrophobicContact CE-CG 4.43Å; M358-Y365 PolarHBondContact N-O 2.95Å; M358-Y365 PolarHBondContact O-N 2.84Å; M358-F367 HydrophobicContact CE-CD1 3.98Å; M358-F367 HydrophobicContact CG-CD1 3.8Å; M358-F367 HydrophobicContact CG-CE1 3.6Å; M358-F367 HydrophobicContact SD-CD1 3.65Å; M358-F367 HydrophobicContact SD-CE1 3.62Å |
| 359 | N | 90.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.7 | 161.7 | -167.8 | -79.1 | 0 | 0 | 0 | 107.6 | N333 V334 G362 R363 D364 | N333-N359 CarbonylContact C-O 3.54Å; N333-N359 VanDerWaalsContact CA-O 3.32Å; N333-N359 WeakPolarHBondContact CA-O 3.3Å; V334-N359 PolarHBondContact N-O 3.05Å; V334-N359 PolarHBondContact O-N 2.98Å; N359-G362 WeakPolarHBondContact OD1-CA 3.33Å; N359-R363 CarbonylContact C-O 3.57Å; N359-R363 WeakPolarHBondContact CA-O 3.3Å; N359-D364 PolarHBondContact ND2-OD1 3.45Å |
| 360 | L | 91.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 63 Ų | 63 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.4 | -177.4 | -58.1 | 174.5 | 0 | 0 | 0 | 109.4 | N333 M358 G362 R363 Y365 | N333-L360 HydrophobicContact CB-CD2 4.06Å; N333-L360 WeakPolarHBondContact OD1-CA 3.44Å; M358-L360 HydrophobicContact CB-CD1 4.07Å; M358-L360 HydrophobicContact CB-CD2 4.44Å; M358-L360 HydrophobicContact CB-CG 3.92Å; M358-L360 HydrophobicContact CE-CD1 4.11Å; M358-L360 HydrophobicContact SD-CD1 4.24Å; L360-G362 PolarHBondContact O-N 3.47Å; L360-R363 PolarHBondContact N-O 3.47Å; L360-R363 PolarHBondContact O-N 3.22Å; L360-R363 VanDerWaalsContact O-N 3.1Å; L360-Y365 HydrophobicContact CB-CD2 4.11Å; L360-Y365 HydrophobicContact CB-CE2 3.98Å; L360-Y365 HydrophobicContact CD1-CD2 4.13Å; L360-Y365 HydrophobicContact CG-CD2 4.28Å |
| 361 | N | 88 | Confident | 93.4 | Very high | 123 Ų | 123 | 64.7 Ų | 64.7 | 66% | 0.658 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.5 | -177 | -48.9 | -105.8 | 0 | 0 | 0 | 111.9 | N333 R363 | N333-N361 PolarHBondContact OD1-N 3.23Å; N361-R363 PolarHBondContact O-N 3.43Å |
| 362 | G | 85.1 | Confident | 93.3 | Very high | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 20.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A55 N359 L360 | A55-G362 WeakPolarHBondContact CA-O 3.5Å; N359-G362 WeakPolarHBondContact OD1-CA 3.33Å; L360-G362 PolarHBondContact O-N 3.47Å |
| 363 | R | 87.6 | Confident | 93.3 | Very high | 113 Ų | 113 | 64.8 Ų | 64.8 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.1 | 173.2 | -75.7 | -164.7 | -69.5 | -162.4 | -8.7 | 113.3 | A55 D57 N359 L360 N361 Y365 | A55-R363 WeakPolarHBondContact O-CA 3.42Å; D57-R363 WeakPolarHBondContact OD2-CD 3.18Å; D57-R363 IonicContact OD2-CZ 2.63Å; D57-R363 IonicContact OD2-NE 2.66Å; D57-R363 IonicContact OD2-NH1 2.78Å; D57-R363 PolarHBondContact OD2-NH1 3.48Å; N359-R363 CarbonylContact C-O 3.57Å; N359-R363 WeakPolarHBondContact CA-O 3.3Å; L360-R363 PolarHBondContact N-O 3.47Å; L360-R363 PolarHBondContact O-N 3.22Å; L360-R363 VanDerWaalsContact O-N 3.1Å; N361-R363 PolarHBondContact O-N 3.43Å; R363-Y365 HydrophobicContact CB-CE2 3.91Å; R363-Y365 VanDerWaalsContact O-CD2 3.25Å; R363-Y365 WeakPolarHBondContact O-CD2 3.25Å; R363-Y365 VanDerWaalsContact O-CE2 3.29Å; R363-Y365 WeakPolarHBondContact O-CE2 3.28Å |
| 364 | D | 90.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 138.2 | -179.2 | -70.5 | -14.3 | 0 | 0 | 0 | 112 | V10 Y14 A55 V56 M358 N359 | V10-D364 HydrophobicContact CG1-CB 3.87Å; Y14-D364 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D364 WeakPolarHBondContact CE2-OD2 3.2Å; Y14-D364 VanDerWaalsContact OH-CG 3.31Å; Y14-D364 PolarHBondContact OH-OD2 2.8Å; A55-D364 HydrophobicContact CB-CB 4.41Å; A55-D364 WeakPolarHBondContact CB-OD2 3.32Å; A55-D364 PolarHBondContact O-N 3.4Å; V56-D364 HydrophobicContact CG2-CB 4.2Å; M358-D364 CarbonylContact O-C 3.57Å; M358-D364 WeakPolarHBondContact O-CA 3.37Å; N359-D364 PolarHBondContact ND2-OD1 3.45Å |
| 365 | Y | 91.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.7 | 174.9 | -59.3 | -88.7 | 0 | 0 | 0 | 108.8 | I357 M358 L360 R363 | I357-Y365 CarbonylContact C-O 3.58Å; I357-Y365 WeakPolarHBondContact CA-O 3.25Å; M358-Y365 HydrophobicContact CE-CG 4.43Å; M358-Y365 PolarHBondContact N-O 2.95Å; M358-Y365 PolarHBondContact O-N 2.84Å; L360-Y365 HydrophobicContact CB-CD2 4.11Å; L360-Y365 HydrophobicContact CB-CE2 3.98Å; L360-Y365 HydrophobicContact CD1-CD2 4.13Å; L360-Y365 HydrophobicContact CG-CD2 4.28Å; R363-Y365 HydrophobicContact CB-CE2 3.91Å; R363-Y365 VanDerWaalsContact O-CD2 3.25Å; R363-Y365 WeakPolarHBondContact O-CD2 3.25Å; R363-Y365 VanDerWaalsContact O-CE2 3.29Å; R363-Y365 WeakPolarHBondContact O-CE2 3.28Å |
| 366 | I | 92.6 | Very high | 93 | Very high | 45 Ų | 45 | 76.3 Ų | 76.3 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.1 | 175.4 | -56.3 | 158 | 0 | 0 | 0 | 108.6 | V10 L13 G356 I357 | V10-I366 HydrophobicContact CB-CD1 4Å; V10-I366 HydrophobicContact CG1-CD1 3.91Å; V10-I366 HydrophobicContact CG1-CG1 4.32Å; V10-I366 HydrophobicContact CG2-CD1 3.89Å; V10-I366 HydrophobicContact CG2-CG1 4.06Å; L13-I366 HydrophobicContact CB-CD1 3.92Å; L13-I366 HydrophobicContact CD2-CD1 3.52Å; L13-I366 HydrophobicContact CD2-CG1 4.42Å; L13-I366 HydrophobicContact CG-CD1 4.34Å; G356-I366 CarbonylContact O-C 3.49Å; G356-I366 VanDerWaalsContact O-CA 3.32Å; G356-I366 WeakPolarHBondContact O-CA 3.47Å; I357-I366 HydrophobicContact CG1-CG1 4.41Å |
| 367 | F | 93.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 80.2 Ų | 80.2 | 10% | 0.101 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.5 | 170.6 | 64.4 | -99 | 0 | 0 | 0 | 111.4 | V335 C337 L353 G356 M358 K369 A370 | V335-F367 HydrophobicContact CG1-CE1 3.99Å; V335-F367 HydrophobicContact CG1-CZ 4.24Å; C337-F367 HydrophobicContact CB-CE1 4.44Å; C337-F367 HydrophobicContact CB-CE2 4.05Å; C337-F367 HydrophobicContact CB-CZ 3.53Å; L353-F367 HydrophobicContact CB-CE2 3.9Å; L353-F367 HydrophobicContact CB-CZ 4.1Å; G356-F367 PolarHBondContact N-O 3.36Å; G356-F367 PolarHBondContact O-N 3.48Å; M358-F367 HydrophobicContact CE-CD1 3.98Å; M358-F367 HydrophobicContact CG-CD1 3.8Å; M358-F367 HydrophobicContact CG-CE1 3.6Å; M358-F367 HydrophobicContact SD-CD1 3.65Å; M358-F367 HydrophobicContact SD-CE1 3.62Å; F367-K369 VanDerWaalsContact CD2-C 3.5Å; F367-A370 HydrophobicContact CD1-CB 4.15Å; F367-A370 HydrophobicContact CD2-CB 3.59Å; F367-A370 HydrophobicContact CE1-CB 4.1Å; F367-A370 HydrophobicContact CE2-CB 3.55Å; F367-A370 HydrophobicContact CG-CB 3.88Å; F367-A370 HydrophobicContact CZ-CB 3.79Å |
| 368 | S | 95.2 | Very high | 92.9 | Very high | 93 Ų | 93 | 80.7 Ų | 80.7 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -33.8 | 166.4 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | K354 D355 | K354-S368 WeakPolarHBondContact CA-O 3.45Å; K354-S368 WeakPolarHBondContact CB-O 3.36Å; D355-S368 PolarHBondContact N-O 3.27Å; D355-S368 VanDerWaalsContact N-O 3.11Å |
| 369 | K | 95.9 | Very high | 92.9 | Very high | 142 Ų | 142 | 82.9 Ų | 82.9 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.9 | 171.1 | -66.4 | -174.7 | 178.3 | -84.3 | 0 | 111.1 | D340 L353 F367 | D340-K369 IonicContact OD2-NZ 2.89Å; D340-K369 PolarHBondContact OD2-NZ 3.36Å; L353-K369 CarbonylContact O-C 3.55Å; L353-K369 VanDerWaalsContact O-CA 3.3Å; L353-K369 WeakPolarHBondContact O-CA 3.42Å; F367-K369 VanDerWaalsContact CD2-C 3.5Å |
| 370 | A | 96.3 | Very high | 93 | Very high | 28 Ų | 28 | 84.9 Ų | 84.9 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L353 F367 | L353-A370 HydrophobicContact CB-CB 4.31Å; L353-A370 PolarHBondContact N-O 3.13Å; L353-A370 PolarHBondContact O-N 3.49Å; F367-A370 HydrophobicContact CD1-CB 4.15Å; F367-A370 HydrophobicContact CD2-CB 3.59Å; F367-A370 HydrophobicContact CE1-CB 4.1Å; F367-A370 HydrophobicContact CE2-CB 3.55Å; F367-A370 HydrophobicContact CG-CB 3.88Å; F367-A370 HydrophobicContact CZ-CB 3.79Å |
| 371 | I | 96.8 | Very high | 93.2 | Very high | 122 Ų | 122 | 87.1 Ų | 87.1 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.3 | 175.1 | -58.4 | 177.4 | 0 | 0 | 0 | 107.7 | F351 | F351-I371 CarbonylContact O-C 3.6Å; F351-I371 VanDerWaalsContact O-CA 3.3Å; F351-I371 WeakPolarHBondContact O-CA 3.34Å |
| 372 | G | 96.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 84.7 Ų | 84.7 | 27% | 0.268 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K350 F351 | K350-G372 WeakPolarHBondContact CA-O 3.13Å; F351-G372 PolarHBondContact N-O 3.22Å; F351-G372 PolarHBondContact O-N 3.28Å |
| 373 | D | 97.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 88.1 Ų | 88.1 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.9 | 168 | -83.8 | -89.4 | 0 | 0 | 0 | 107.4 | W349 K350 | W349-D373 WeakPolarHBondContact O-CA 3.47Å; K350-D373 WeakPolarHBondContact CE-OD1 3.36Å; K350-D373 VanDerWaalsContact CG-OD1 3.25Å; K350-D373 WeakPolarHBondContact CG-OD1 3.33Å; K350-D373 VanDerWaalsContact NZ-CG 3.33Å; K350-D373 IonicContact NZ-OD1 2.64Å; K350-D373 PolarHBondContact NZ-OD1 3.14Å; K350-D373 IonicContact NZ-OD2 3.2Å; K350-D373 PolarHBondContact NZ-OD2 2.95Å |
| 374 | A | 97.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 86.2 Ų | 86.2 | 35% | 0.347 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W349 F351 | W349-A374 HydrophobicContact CB-CB 4.44Å; W349-A374 PolarHBondContact N-O 3.18Å; W349-A374 PolarHBondContact O-N 2.89Å; F351-A374 HydrophobicContact CE2-CB 3.7Å; F351-A374 HydrophobicContact CZ-CB 4.22Å |
| 375 | E | 96.4 | Very high | 95 | Very high | 128 Ų | 128 | 91.3 Ų | 91.3 | 60% | 0.598 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.2 | 170.2 | -56.8 | -163.5 | 150.1 | 0 | 0 | 109.5 | N347 K348 | N347-E375 WeakPolarHBondContact O-CA 3.25Å; K348-E375 HydrophobicContact CG-CG 4.38Å; K348-E375 IonicContact NZ-OE1 2.57Å; K348-E375 PolarHBondContact NZ-OE1 3.43Å |
| 376 | W | 91 | Very high | 95.3 | Very high | 255 Ų | 255 | 91.8 Ų | 91.8 | 97% | 0.966 | 47% | 0.473 | S | S | * | . | trans | -116.5 | 0 | 178.1 | -178 | 71.4 | 0 | 0 | 0 | 111.2 | N347 | N347-W376 WeakPolarHBondContact CB-O 3.43Å; N347-W376 PolarHBondContact O-N 3.41Å |
Retrieved 376 of 376 residues in 1078.3 ms
(Link to these results)