| 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 | 37 | Very low | 45.7 | Very low | 190 Ų | 190 | 105.8 Ų | 105.8 | 94% | 0.936 | 55% | 0.546 | S | S | * | . | 0 | -54 | 0 | -158.7 | 178.3 | -71.6 | 0 | 0 | 109.9 | E3 K4 F5 | M1-E3 PolarHBondContact O-N 3.2Å; M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.39Å; M1-F5 PolarHBondContact O-N 2.92Å | |||
| 2 | A | 36.8 | Very low | 46.9 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -46.8 | -42.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K4 F5 E6 | A2-K4 PolarHBondContact O-N 3Å; A2-K4 VanDerWaalsContact O-N 3.16Å; A2-F5 CarbonylContact O-C 3.52Å; A2-F5 WeakPolarHBondContact O-CA 3.35Å; A2-F5 WeakPolarHBondContact O-CB 3.41Å; A2-F5 PolarHBondContact O-N 3.46Å; A2-E6 PolarHBondContact O-N 2.84Å |
| 3 | E | 36.6 | Very low | 48.6 | Very low | 151 Ų | 151 | 98.8 Ų | 98.8 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -30.5 | 176.6 | -58.7 | 152 | 131.9 | 0 | 0 | 113.8 | M1 S7 | M1-E3 PolarHBondContact O-N 3.2Å; E3-S7 VanDerWaalsContact O-CB 3.27Å; E3-S7 WeakPolarHBondContact O-CB 3.25Å; E3-S7 PolarHBondContact O-N 3.39Å |
| 4 | K | 41.3 | Very low | 50.3 | Low | 167 Ų | 167 | 92.6 Ų | 92.6 | 73% | 0.726 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -77.6 | -25.8 | 172.5 | -93.5 | -162.3 | 170.6 | -163.7 | 0 | 112.6 | M1 A2 L8 | M1-K4 WeakPolarHBondContact O-CB 3.39Å; M1-K4 PolarHBondContact O-N 3.39Å; A2-K4 PolarHBondContact O-N 3Å; A2-K4 VanDerWaalsContact O-N 3.16Å; K4-L8 PolarHBondContact O-N 3.03Å; K4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | F | 44.9 | Very low | 52.3 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 18% | 0.18 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -73.9 | -50.7 | 175.9 | -166.7 | -100.9 | 0 | 0 | 0 | 110.2 | M1 A2 S7 L8 M9 M21 L23 | M1-F5 PolarHBondContact O-N 2.92Å; A2-F5 CarbonylContact O-C 3.52Å; A2-F5 WeakPolarHBondContact O-CA 3.35Å; A2-F5 WeakPolarHBondContact O-CB 3.41Å; A2-F5 PolarHBondContact O-N 3.46Å; F5-S7 VanDerWaalsContact C-N 3.25Å; F5-S7 PolarHBondContact O-N 3.13Å; F5-L8 PolarHBondContact O-N 2.8Å; F5-L8 VanDerWaalsContact O-N 3.1Å; F5-M9 HydrophobicContact CD1-CE 3.99Å; F5-M9 HydrophobicContact CD1-CG 4.47Å; F5-M9 HydrophobicContact CD1-SD 4.28Å; F5-M9 HydrophobicContact CE1-CE 3.9Å; F5-M9 HydrophobicContact CE1-CG 4.32Å; F5-M9 HydrophobicContact CE1-SD 3.76Å; F5-M9 HydrophobicContact CZ-SD 4.41Å; F5-M9 PolarHBondContact O-N 2.72Å; F5-M21 HydrophobicContact CE1-CE 4.24Å; F5-M21 HydrophobicContact CE1-SD 3.96Å; F5-M21 HydrophobicContact CZ-SD 4.31Å; F5-L23 HydrophobicContact CE1-CD1 4.38Å; F5-L23 HydrophobicContact CE2-CB 3.81Å; F5-L23 HydrophobicContact CE2-CD1 4.47Å; F5-L23 HydrophobicContact CE2-CG 4.33Å; F5-L23 HydrophobicContact CZ-CB 3.92Å; F5-L23 HydrophobicContact CZ-CD1 3.82Å; F5-L23 HydrophobicContact CZ-CG 3.92Å |
| 6 | E | 49.3 | Very low | 54 | Low | 114 Ų | 114 | 85.2 Ų | 85.2 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.6 | -40.8 | 168.9 | -70 | -179.9 | 166.1 | 0 | 0 | 111.4 | A2 L8 M9 N10 | A2-E6 PolarHBondContact O-N 2.84Å; E6-L8 PolarHBondContact O-N 3.23Å; E6-M9 PolarHBondContact O-N 2.92Å; E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 PolarHBondContact O-N 3.43Å; E6-N10 PolarHBondContact O-ND2 3.23Å |
| 7 | S | 46.6 | Very low | 55.5 | Low | 58 Ų | 58 | 82.4 Ų | 82.4 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | E3 F5 I11 | E3-S7 VanDerWaalsContact O-CB 3.27Å; E3-S7 WeakPolarHBondContact O-CB 3.25Å; E3-S7 PolarHBondContact O-N 3.39Å; F5-S7 VanDerWaalsContact C-N 3.25Å; F5-S7 PolarHBondContact O-N 3.13Å; S7-I11 WeakPolarHBondContact O-CB 3.42Å; S7-I11 VanDerWaalsContact O-CD1 3.27Å; S7-I11 WeakPolarHBondContact O-CD1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å; S7-I11 PolarHBondContact O-N 3.14Å |
| 8 | L | 49.4 | Very low | 57.1 | Low | 92 Ų | 92 | 83.3 Ų | 83.3 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.1 | -40.5 | 179.5 | -76.5 | 168.9 | 0 | 0 | 0 | 112.2 | K4 F5 E6 N10 I11 H12 | K4-L8 PolarHBondContact O-N 3.03Å; K4-L8 VanDerWaalsContact O-N 3.14Å; F5-L8 PolarHBondContact O-N 2.8Å; F5-L8 VanDerWaalsContact O-N 3.1Å; E6-L8 PolarHBondContact O-N 3.23Å; L8-N10 VanDerWaalsContact C-N 3.35Å; L8-N10 PolarHBondContact O-N 3.5Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-H12 PolarHBondContact O-CD2 2.92Å; L8-H12 PolarHBondContact O-N 2.66Å |
| 9 | M | 54.9 | Low | 58.7 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 19% | 0.192 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173.8 | -69.8 | -154.7 | -56.5 | 0 | 0 | 111.5 | F5 E6 H12 G13 F14 L23 | F5-M9 HydrophobicContact CD1-CE 3.99Å; F5-M9 HydrophobicContact CD1-CG 4.47Å; F5-M9 HydrophobicContact CD1-SD 4.28Å; F5-M9 HydrophobicContact CE1-CE 3.9Å; F5-M9 HydrophobicContact CE1-CG 4.32Å; F5-M9 HydrophobicContact CE1-SD 3.76Å; F5-M9 HydrophobicContact CZ-SD 4.41Å; F5-M9 PolarHBondContact O-N 2.72Å; E6-M9 PolarHBondContact O-N 2.92Å; M9-H12 PolarHBondContact O-N 3Å; M9-G13 CarbonylContact O-C 3.49Å; M9-G13 VanDerWaalsContact O-CA 3.25Å; M9-G13 WeakPolarHBondContact O-CA 3.16Å; M9-G13 PolarHBondContact O-N 3.24Å; M9-F14 PolarHBondContact O-N 3.3Å; M9-L23 HydrophobicContact CG-CD1 3.73Å; M9-L23 HydrophobicContact SD-CD1 3.54Å; M9-L23 VanDerWaalsContact SD-CD1 3.54Å |
| 10 | N | 53.6 | Low | 60.2 | Low | 130 Ų | 130 | 78.6 Ų | 78.6 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.8 | -34.3 | 176.3 | -77.6 | -67.1 | 0 | 0 | 0 | 113.4 | E6 L8 H12 G13 | E6-N10 VanDerWaalsContact O-CB 3.29Å; E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 PolarHBondContact O-N 3.43Å; E6-N10 PolarHBondContact O-ND2 3.23Å; L8-N10 VanDerWaalsContact C-N 3.35Å; L8-N10 PolarHBondContact O-N 3.5Å; N10-H12 VanDerWaalsContact C-N 3.33Å; N10-H12 PolarHBondContact O-N 2.66Å; N10-G13 PolarHBondContact O-N 3.34Å |
| 11 | I | 52.8 | Low | 61.5 | Low | 111 Ų | 111 | 78.4 Ų | 78.4 | 57% | 0.569 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.3 | -33.4 | 178.3 | -76.1 | 164 | 0 | 0 | 0 | 112.1 | S7 L8 | S7-I11 WeakPolarHBondContact O-CB 3.42Å; S7-I11 VanDerWaalsContact O-CD1 3.27Å; S7-I11 WeakPolarHBondContact O-CD1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.41Å; S7-I11 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 2.95Å |
| 12 | H | 60 | Low | 63.8 | Low | 82 Ų | 82 | 72.4 Ų | 72.4 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -106.4 | 2.1 | 178.3 | -58.6 | -67.9 | 0 | 0 | 0 | 113.8 | L8 M9 N10 F14 L33 K50 | L8-H12 PolarHBondContact O-CD2 2.92Å; L8-H12 PolarHBondContact O-N 2.66Å; M9-H12 PolarHBondContact O-N 3Å; N10-H12 VanDerWaalsContact C-N 3.33Å; N10-H12 PolarHBondContact O-N 2.66Å; H12-F14 VanDerWaalsContact C-N 3.31Å; H12-F14 HydrophobicContact CB-CD2 3.89Å; H12-F14 HydrophobicContact CB-CE2 4.3Å; H12-F14 PolarHBondContact O-N 3.4Å; H12-L33 HydrophobicContact CB-CD2 4.15Å; H12-K50 PolarHBondContact O-NZ 3.05Å |
| 13 | G | 68.1 | Low | 66.1 | Low | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 34.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | M9 N10 K50 Y105 | M9-G13 CarbonylContact O-C 3.49Å; M9-G13 VanDerWaalsContact O-CA 3.25Å; M9-G13 WeakPolarHBondContact O-CA 3.16Å; M9-G13 PolarHBondContact O-N 3.24Å; N10-G13 PolarHBondContact O-N 3.34Å; G13-K50 PolarHBondContact O-NZ 3.17Å; G13-Y105 PolarHBondContact O-OH 2.92Å |
| 14 | F | 73.6 | Confident | 68.5 | Low | 11 Ų | 11 | 67.3 Ų | 67.3 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | trans | -81.9 | 128.4 | 175.3 | -89.5 | -113.8 | 0 | 0 | 0 | 109.9 | M9 H12 L16 L33 F35 K50 Y105 | M9-F14 PolarHBondContact O-N 3.3Å; H12-F14 VanDerWaalsContact C-N 3.31Å; H12-F14 HydrophobicContact CB-CD2 3.89Å; H12-F14 HydrophobicContact CB-CE2 4.3Å; H12-F14 PolarHBondContact O-N 3.4Å; F14-L16 HydrophobicContact CD1-CD1 4.07Å; F14-L33 WeakPolarHBondContact CZ-O 3.28Å; F14-F35 HydrophobicContact CD1-CD2 4.09Å; F14-F35 HydrophobicContact CD1-CE2 4.29Å; F14-F35 HydrophobicContact CD2-CD2 4.46Å; F14-F35 AromaticContact CD2-CE2 3.88Å; F14-F35 HydrophobicContact CD2-CE2 3.88Å; F14-F35 AromaticContact CE1-CD2 3.53Å; F14-F35 HydrophobicContact CE1-CD2 3.53Å; F14-F35 AromaticContact CE1-CE2 3.93Å; F14-F35 HydrophobicContact CE1-CE2 3.93Å; F14-F35 HydrophobicContact CE1-CG 4.49Å; F14-F35 AromaticContact CE2-CD2 3.96Å; F14-F35 HydrophobicContact CE2-CD2 3.96Å; F14-F35 AromaticContact CE2-CE2 3.48Å; F14-F35 HydrophobicContact CE2-CE2 3.48Å; F14-F35 VanDerWaalsContact CE2-CE2 3.48Å; F14-F35 HydrophobicContact CG-CE2 4.27Å; F14-F35 AromaticContact CZ-CD2 3.45Å; F14-F35 HydrophobicContact CZ-CD2 3.45Å; F14-F35 VanDerWaalsContact CZ-CD2 3.45Å; F14-F35 AromaticContact CZ-CE2 3.5Å; F14-F35 HydrophobicContact CZ-CE2 3.5Å; F14-F35 VanDerWaalsContact CZ-CE2 3.5Å; F14-K50 HydrophobicContact CD2-CD 3.86Å; F14-K50 HydrophobicContact CE1-CB 3.73Å; F14-K50 HydrophobicContact CE1-CD 4.47Å; F14-K50 HydrophobicContact CE2-CB 3.84Å; F14-K50 HydrophobicContact CE2-CD 3.53Å; F14-K50 HydrophobicContact CE2-CG 4.34Å; F14-K50 HydrophobicContact CG-CD 4.45Å; F14-K50 HydrophobicContact CZ-CB 3.27Å; F14-K50 HydrophobicContact CZ-CD 3.89Å; F14-K50 HydrophobicContact CZ-CG 4.21Å; F14-Y105 HydrophobicContact CD1-CD1 4.07Å; F14-Y105 AromaticContact CD1-CE1 3.65Å; F14-Y105 HydrophobicContact CD1-CE1 3.65Å; F14-Y105 HydrophobicContact CE1-CD1 4.05Å; F14-Y105 AromaticContact CE1-CE1 3.96Å; F14-Y105 HydrophobicContact CE1-CE1 3.96Å; F14-Y105 HydrophobicContact CG-CE1 4.06Å | ||
| 15 | D | 79.7 | Confident | 70.6 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | trans | -137 | 85.8 | -177.1 | -175.2 | 24.4 | 0 | 0 | 0 | 109.9 | S87 G88 Y105 | D15-S87 VanDerWaalsContact CG-CA 3.4Å; D15-S87 WeakPolarHBondContact O-CA 3.47Å; D15-S87 PolarHBondContact O-N 3.42Å; D15-S87 WeakPolarHBondContact OD1-CA 3.42Å; D15-S87 WeakPolarHBondContact OD2-CA 3.27Å; D15-S87 WeakPolarHBondContact OD2-CB 3.18Å; D15-S87 PolarHBondContact OD2-N 2.79Å; D15-S87 PolarHBondContact OD2-OG 3.42Å; D15-G88 PolarHBondContact O-N 3.45Å; D15-Y105 PolarHBondContact N-OH 3.29Å | ||
| 16 | L | 78.9 | Confident | 72.4 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | trans | -109.3 | 15 | -172.9 | -68.3 | 170.5 | 0 | 0 | 0 | 112.8 | F14 Y20 L23 V48 L84 Y105 | F14-L16 HydrophobicContact CD1-CD1 4.07Å; L16-Y20 HydrophobicContact CB-CD2 4.24Å; L16-L23 HydrophobicContact CD1-CD1 4.43Å; L16-L23 HydrophobicContact CD1-CD2 4Å; L16-V48 HydrophobicContact CD1-CG1 3.94Å; L16-V48 HydrophobicContact CD2-CG1 4.03Å; L16-L84 HydrophobicContact CD2-CD1 4.38Å; L16-Y105 HydrophobicContact CD2-CD1 3.61Å; L16-Y105 HydrophobicContact CD2-CD2 3.86Å; L16-Y105 HydrophobicContact CD2-CE1 4.12Å; L16-Y105 HydrophobicContact CD2-CE2 4.36Å; L16-Y105 HydrophobicContact CD2-CG 3.47Å; L16-Y105 VanDerWaalsContact CD2-CG 3.47Å; L16-Y105 HydrophobicContact CG-CD1 4.25Å; L16-Y105 HydrophobicContact CG-CE1 4.36Å | ||
| 17 | G | 80.1 | Confident | 73.4 | Confident | 37 Ų | 37 | 62 Ų | 62 | 38% | 0.381 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -143.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 18 | S | 83.9 | Confident | 74.1 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 70% | 0.699 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 1.9 | -177.5 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | N40 | S18-N40 PolarHBondContact O-ND2 3.28Š|
| 19 | R | 87.6 | Confident | 74.7 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 25% | 0.253 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -40.7 | 177.9 | 179 | 173.6 | 166.3 | -151.2 | -9.6 | 111.9 | D39 N40 D41 E82 | R19-D39 WeakPolarHBondContact CG-OD1 3.48Å; R19-D39 IonicContact CZ-OD1 3.91Å; R19-D39 IonicContact CZ-OD2 3.95Å; R19-D39 IonicContact NE-OD1 2.81Å; R19-D39 PolarHBondContact NE-OD1 3.31Å; R19-D39 IonicContact NE-OD2 2.88Å; R19-D39 PolarHBondContact NE-OD2 3.24Å; R19-D39 IonicContact NH2-OD1 2.7Å; R19-D39 IonicContact NH2-OD2 3.17Å; R19-D39 PolarHBondContact NH2-OD2 3.42Å; R19-N40 WeakPolarHBondContact O-CB 3.45Å; R19-N40 VanDerWaalsContact O-CG 3.29Å; R19-N40 PolarHBondContact O-N 2.95Å; R19-N40 PolarHBondContact O-ND2 2.98Å; R19-N40 VanDerWaalsContact O-ND2 3.15Å; R19-D41 VanDerWaalsContact CD-OD2 3.31Å; R19-D41 WeakPolarHBondContact CD-OD2 3.5Å; R19-D41 HydrophobicContact CG-CB 4.49Å; R19-D41 IonicContact NE-OD2 2.77Å; R19-D41 PolarHBondContact NE-OD2 2.84Å; R19-E82 IonicContact CZ-OE1 3.97Å; R19-E82 VanDerWaalsContact CZ-OE1 3.23Å; R19-E82 IonicContact CZ-OE2 3.23Å; R19-E82 IonicContact NH1-OE1 2.81Å; R19-E82 PolarHBondContact NH1-OE1 2.8Å; R19-E82 IonicContact NH1-OE2 2.88Å; R19-E82 PolarHBondContact NH1-OE2 2.63Å; R19-E82 IonicContact NH2-OE1 2.84Å; R19-E82 PolarHBondContact NH2-OE1 2.87Å; R19-E82 IonicContact NH2-OE2 2.71Å |
| 20 | Y | 89.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110 | -176.3 | -61.3 | -77.9 | 0 | 0 | 0 | 111.6 | L16 A37 V38 D39 V46 E82 L84 V107 | L16-Y20 HydrophobicContact CB-CD2 4.24Å; Y20-A37 HydrophobicContact CD1-CB 4.22Å; Y20-V38 WeakPolarHBondContact CA-O 3.43Å; Y20-D39 HydrophobicContact CD1-CB 4.19Å; Y20-D39 HydrophobicContact CE1-CB 3.89Å; Y20-V46 HydrophobicContact CD1-CG2 3.9Å; Y20-V46 HydrophobicContact CE1-CG2 3.92Å; Y20-E82 PolarHBondContact OH-OE1 2.91Å; Y20-E82 PolarHBondContact OH-OE2 2.91Å; Y20-E82 VanDerWaalsContact OH-OE2 3.14Å; Y20-L84 HydrophobicContact CD2-CD1 4.17Å; Y20-L84 HydrophobicContact CE2-CD1 3.43Å; Y20-L84 VanDerWaalsContact CE2-CD1 3.43Å; Y20-V107 HydrophobicContact CE1-CG1 3.87Å; Y20-V107 HydrophobicContact CE1-CG2 4.37Å |
| 21 | M | 86.5 | Confident | 74.7 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 176.9 | -175.6 | -66.7 | -63.5 | -74 | 0 | 0 | 111.7 | F5 L23 A37 V38 N40 | F5-M21 HydrophobicContact CE1-CE 4.24Å; F5-M21 HydrophobicContact CE1-SD 3.96Å; F5-M21 HydrophobicContact CZ-SD 4.31Å; M21-L23 PolarHBondContact O-N 3.02Å; M21-L23 VanDerWaalsContact O-N 3.11Å; M21-A37 CarbonylContact O-C 3.58Å; M21-A37 WeakPolarHBondContact O-CA 3.49Å; M21-V38 PolarHBondContact N-O 3.43Å; M21-V38 PolarHBondContact O-N 3.28Å; M21-N40 WeakPolarHBondContact CG-ND2 3.44Å |
| 22 | D | 85.6 | Confident | 75.4 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 32.4 | 177.6 | -172.9 | 56.1 | 0 | 0 | 0 | 114.4 | K24 V38 R45 | D22-K24 PolarHBondContact O-N 3.14Å; D22-K24 VanDerWaalsContact O-N 3.13Å; D22-K24 WeakPolarHBondContact OD1-CE 3.43Å; D22-K24 IonicContact OD1-NZ 2.78Å; D22-K24 PolarHBondContact OD1-NZ 2.19Å; D22-K24 WeakPolarHBondContact OD2-CE 3.3Å; D22-K24 IonicContact OD2-NZ 2.73Å; D22-K24 PolarHBondContact OD2-NZ 3.08Å; D22-V38 HydrophobicContact CB-CG2 4.09Å; D22-R45 IonicContact OD2-CZ 3.32Å; D22-R45 IonicContact OD2-NH1 2.64Å; D22-R45 PolarHBondContact OD2-NH1 2.4Å; D22-R45 IonicContact OD2-NH2 2.77Å; D22-R45 PolarHBondContact OD2-NH2 3.15Å |
| 23 | L | 86.2 | Confident | 76.1 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.2 | 113.6 | 172.3 | -74 | 168.1 | 0 | 0 | 0 | 112.1 | F5 M9 L16 M21 F35 S36 A37 | F5-L23 HydrophobicContact CE1-CD1 4.38Å; F5-L23 HydrophobicContact CE2-CB 3.81Å; F5-L23 HydrophobicContact CE2-CD1 4.47Å; F5-L23 HydrophobicContact CE2-CG 4.33Å; F5-L23 HydrophobicContact CZ-CB 3.92Å; F5-L23 HydrophobicContact CZ-CD1 3.82Å; F5-L23 HydrophobicContact CZ-CG 3.92Å; M9-L23 HydrophobicContact CG-CD1 3.73Å; M9-L23 HydrophobicContact SD-CD1 3.54Å; M9-L23 VanDerWaalsContact SD-CD1 3.54Å; L16-L23 HydrophobicContact CD1-CD1 4.43Å; L16-L23 HydrophobicContact CD1-CD2 4Å; M21-L23 PolarHBondContact O-N 3.02Å; M21-L23 VanDerWaalsContact O-N 3.11Å; L23-F35 HydrophobicContact CB-CD1 3.99Å; L23-F35 HydrophobicContact CD2-CB 3.69Å; L23-F35 HydrophobicContact CD2-CD1 4.28Å; L23-F35 HydrophobicContact CD2-CG 4.08Å; L23-S36 CarbonylContact C-O 3.56Å; L23-S36 VanDerWaalsContact CA-O 3.25Å; L23-S36 WeakPolarHBondContact CA-O 3.26Å; L23-A37 HydrophobicContact CD2-CB 3.9Å |
| 24 | K | 87 | Confident | 77 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.8 | 174.2 | -72.5 | 155.7 | 179.5 | 157 | 0 | 109.2 | D22 L26 F35 S36 | D22-K24 PolarHBondContact O-N 3.14Å; D22-K24 VanDerWaalsContact O-N 3.13Å; D22-K24 WeakPolarHBondContact OD1-CE 3.43Å; D22-K24 IonicContact OD1-NZ 2.78Å; D22-K24 PolarHBondContact OD1-NZ 2.19Å; D22-K24 WeakPolarHBondContact OD2-CE 3.3Å; D22-K24 IonicContact OD2-NZ 2.73Å; D22-K24 PolarHBondContact OD2-NZ 3.08Å; K24-L26 PolarHBondContact O-N 3.48Å; K24-F35 VanDerWaalsContact C-CD1 3.47Å; K24-F35 CarbonylContact O-C 3.59Å; K24-F35 VanDerWaalsContact O-CA 3.25Å; K24-F35 WeakPolarHBondContact O-CA 3.36Å; K24-S36 PolarHBondContact N-O 3.14Å; K24-S36 PolarHBondContact O-N 3.44Å |
| 25 | P | 84.8 | Confident | 77.7 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 136.7 | 177.6 | 27.6 | -34.2 | 0 | 0 | 0 | 109.9 | F35 | P25-F35 HydrophobicContact CB-CD1 4.33Å; P25-F35 HydrophobicContact CB-CE1 4.14Å |
| 26 | L | 82.3 | Confident | 78.3 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 44% | 0.44 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -41.8 | 172.3 | -64.4 | 177 | 0 | 0 | 0 | 110.8 | K24 V34 A47 Y110 | K24-L26 PolarHBondContact O-N 3.48Å; L26-V34 HydrophobicContact CD1-CG1 4.39Å; L26-V34 PolarHBondContact N-O 3.38Å; L26-A47 HydrophobicContact CD1-CB 4.23Å; L26-Y110 HydrophobicContact CD1-CD2 4.07Å; L26-Y110 HydrophobicContact CD1-CE2 3.9Å; L26-Y110 HydrophobicContact CD2-CE2 3.87Å |
| 27 | G | 70.6 | Confident | 79 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 164.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V34 | G27-V34 PolarHBondContact O-N 3.39Å |
| 28 | C | 62.2 | Low | 79.6 | Confident | 112 Ų | 112 | 52 Ų | 52 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | L33 | C28-L33 HydrophobicContact CB-CD1 3.89Å |
| 29 | G | 60.9 | Low | 80.1 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N31 G32 | G29-N31 PolarHBondContact O-N 3.01Å; G29-G32 PolarHBondContact N-O 3.13Å; G29-G32 PolarHBondContact O-N 3.27Å |
| 30 | G | 53.6 | Low | 80.2 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 94% | 0.938 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G32 | G30-G32 VanDerWaalsContact C-N 3.35Š|
| 31 | N | 55.3 | Low | 80.2 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 6.5 | 177.1 | -63.6 | -29.8 | 0 | 0 | 0 | 113.8 | G29 D171 | G29-N31 PolarHBondContact O-N 3.01Å; N31-D171 VanDerWaalsContact ND2-CG 3.31Å; N31-D171 PolarHBondContact ND2-OD1 2.97Å; N31-D171 PolarHBondContact ND2-OD2 2.91Å |
| 32 | G | 67.3 | Low | 80.4 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | -171.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G29 G30 | G29-G32 PolarHBondContact N-O 3.13Å; G29-G32 PolarHBondContact O-N 3.27Å; G30-G32 VanDerWaalsContact C-N 3.35Å |
| 33 | L | 75.4 | Confident | 80.6 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.5 | 178.2 | -170.8 | 64.2 | 0 | 0 | 0 | 109.7 | H12 F14 C28 F35 | H12-L33 HydrophobicContact CB-CD2 4.15Å; F14-L33 WeakPolarHBondContact CZ-O 3.28Å; C28-L33 HydrophobicContact CB-CD1 3.89Å; L33-F35 HydrophobicContact CB-CE2 4.39Å; L33-F35 HydrophobicContact CD2-CE2 3.44Å; L33-F35 VanDerWaalsContact CD2-CE2 3.44Å; L33-F35 HydrophobicContact CD2-CZ 3.6Å; L33-F35 HydrophobicContact CG-CD2 4.29Å; L33-F35 HydrophobicContact CG-CE2 3.59Å; L33-F35 HydrophobicContact CG-CZ 4.13Å |
| 34 | V | 86.7 | Confident | 80.9 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 20% | 0.2 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.3 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | L26 G27 K49 | L26-V34 HydrophobicContact CD1-CG1 4.39Å; L26-V34 PolarHBondContact N-O 3.38Å; G27-V34 PolarHBondContact O-N 3.39Å; V34-K49 HydrophobicContact CG2-CB 4.21Å; V34-K49 HydrophobicContact CG2-CG 4.32Å |
| 35 | F | 89.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.6 | 175.6 | -70.9 | -102.4 | 0 | 0 | 0 | 110.8 | F14 L23 K24 P25 L33 A47 V48 | F14-F35 HydrophobicContact CD1-CD2 4.09Å; F14-F35 HydrophobicContact CD1-CE2 4.29Å; F14-F35 HydrophobicContact CD2-CD2 4.46Å; F14-F35 AromaticContact CD2-CE2 3.88Å; F14-F35 HydrophobicContact CD2-CE2 3.88Å; F14-F35 AromaticContact CE1-CD2 3.53Å; F14-F35 HydrophobicContact CE1-CD2 3.53Å; F14-F35 AromaticContact CE1-CE2 3.93Å; F14-F35 HydrophobicContact CE1-CE2 3.93Å; F14-F35 HydrophobicContact CE1-CG 4.49Å; F14-F35 AromaticContact CE2-CD2 3.96Å; F14-F35 HydrophobicContact CE2-CD2 3.96Å; F14-F35 AromaticContact CE2-CE2 3.48Å; F14-F35 HydrophobicContact CE2-CE2 3.48Å; F14-F35 VanDerWaalsContact CE2-CE2 3.48Å; F14-F35 HydrophobicContact CG-CE2 4.27Å; F14-F35 AromaticContact CZ-CD2 3.45Å; F14-F35 HydrophobicContact CZ-CD2 3.45Å; F14-F35 VanDerWaalsContact CZ-CD2 3.45Å; F14-F35 AromaticContact CZ-CE2 3.5Å; F14-F35 HydrophobicContact CZ-CE2 3.5Å; F14-F35 VanDerWaalsContact CZ-CE2 3.5Å; L23-F35 HydrophobicContact CB-CD1 3.99Å; L23-F35 HydrophobicContact CD2-CB 3.69Å; L23-F35 HydrophobicContact CD2-CD1 4.28Å; L23-F35 HydrophobicContact CD2-CG 4.08Å; K24-F35 VanDerWaalsContact C-CD1 3.47Å; K24-F35 CarbonylContact O-C 3.59Å; K24-F35 VanDerWaalsContact O-CA 3.25Å; K24-F35 WeakPolarHBondContact O-CA 3.36Å; P25-F35 HydrophobicContact CB-CD1 4.33Å; P25-F35 HydrophobicContact CB-CE1 4.14Å; L33-F35 HydrophobicContact CB-CE2 4.39Å; L33-F35 HydrophobicContact CD2-CE2 3.44Å; L33-F35 VanDerWaalsContact CD2-CE2 3.44Å; L33-F35 HydrophobicContact CD2-CZ 3.6Å; L33-F35 HydrophobicContact CG-CD2 4.29Å; L33-F35 HydrophobicContact CG-CE2 3.59Å; L33-F35 HydrophobicContact CG-CZ 4.13Å; F35-A47 CarbonylContact O-C 3.59Å; F35-A47 WeakPolarHBondContact O-CA 3.39Å; F35-V48 PolarHBondContact N-O 3.08Å; F35-V48 PolarHBondContact O-N 2.79Å |
| 36 | S | 91.8 | Very high | 81.7 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 142.5 | 152.7 | 67.3 | 0 | 0 | 0 | 0 | 109.2 | L23 K24 R45 V46 | L23-S36 CarbonylContact C-O 3.56Å; L23-S36 VanDerWaalsContact CA-O 3.25Å; L23-S36 WeakPolarHBondContact CA-O 3.26Å; K24-S36 PolarHBondContact N-O 3.14Å; K24-S36 PolarHBondContact O-N 3.44Å; S36-R45 PolarHBondContact OG-NH1 3.37Å; S36-V46 CarbonylContact C-O 3.56Å; S36-V46 WeakPolarHBondContact CA-O 3.45Å |
| 37 | A | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 161 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y20 M21 L23 R45 V46 V48 | Y20-A37 HydrophobicContact CD1-CB 4.22Å; M21-A37 CarbonylContact O-C 3.58Å; M21-A37 WeakPolarHBondContact O-CA 3.49Å; L23-A37 HydrophobicContact CD2-CB 3.9Å; A37-R45 CarbonylContact O-C 3.57Å; A37-R45 VanDerWaalsContact O-CA 3.29Å; A37-R45 WeakPolarHBondContact O-CA 3.23Å; A37-R45 WeakPolarHBondContact O-CG 3.22Å; A37-V46 HydrophobicContact CB-CG2 4.09Å; A37-V46 PolarHBondContact N-O 2.87Å; A37-V46 PolarHBondContact O-N 3.5Å; A37-V48 HydrophobicContact CB-CG2 4.16Å |
| 38 | V | 93.1 | Very high | 83.2 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.9 | 159.7 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | Y20 M21 D22 K44 R45 | Y20-V38 WeakPolarHBondContact CA-O 3.43Å; M21-V38 PolarHBondContact N-O 3.43Å; M21-V38 PolarHBondContact O-N 3.28Å; D22-V38 HydrophobicContact CB-CG2 4.09Å; V38-K44 WeakPolarHBondContact CA-O 3.48Å; V38-R45 VanDerWaalsContact CG2-NH2 3.32Å |
| 39 | D | 93.3 | Very high | 84.5 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.3 | 169.2 | 177.2 | 7.2 | 0 | 0 | 0 | 109.4 | R19 Y20 D41 C42 D43 K44 V46 | R19-D39 WeakPolarHBondContact CG-OD1 3.48Å; R19-D39 IonicContact CZ-OD1 3.91Å; R19-D39 IonicContact CZ-OD2 3.95Å; R19-D39 IonicContact NE-OD1 2.81Å; R19-D39 PolarHBondContact NE-OD1 3.31Å; R19-D39 IonicContact NE-OD2 2.88Å; R19-D39 PolarHBondContact NE-OD2 3.24Å; R19-D39 IonicContact NH2-OD1 2.7Å; R19-D39 IonicContact NH2-OD2 3.17Å; R19-D39 PolarHBondContact NH2-OD2 3.42Å; Y20-D39 HydrophobicContact CD1-CB 4.19Å; Y20-D39 HydrophobicContact CE1-CB 3.89Å; D39-D41 PolarHBondContact O-N 3.38Å; D39-D41 PolarHBondContact OD1-N 3.05Å; D39-C42 PolarHBondContact O-N 3.11Å; D39-C42 PolarHBondContact OD2-SG 2.88Å; D39-D43 WeakPolarHBondContact O-CA 3.47Å; D39-D43 PolarHBondContact O-N 3.22Å; D39-K44 PolarHBondContact N-O 2.63Å; D39-V46 HydrophobicContact CB-CG1 4.41Å |
| 40 | N | 90.8 | Very high | 85.8 | Confident | 88 Ų | 88 | 45.3 Ų | 45.3 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.5 | 179.8 | -70.7 | -36 | 0 | 0 | 0 | 113.8 | S18 R19 M21 | S18-N40 PolarHBondContact O-ND2 3.28Å; R19-N40 WeakPolarHBondContact O-CB 3.45Å; R19-N40 VanDerWaalsContact O-CG 3.29Å; R19-N40 PolarHBondContact O-N 2.95Å; R19-N40 PolarHBondContact O-ND2 2.98Å; R19-N40 VanDerWaalsContact O-ND2 3.15Å; M21-N40 WeakPolarHBondContact CG-ND2 3.44Å |
| 41 | D | 90 | Very high | 87.3 | Confident | 124 Ų | 124 | 41.8 Ų | 41.8 | 66% | 0.663 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -21.4 | -175.1 | -70.7 | 4.9 | 0 | 0 | 0 | 112.2 | R19 D39 | R19-D41 VanDerWaalsContact CD-OD2 3.31Å; R19-D41 WeakPolarHBondContact CD-OD2 3.5Å; R19-D41 HydrophobicContact CG-CB 4.49Å; R19-D41 IonicContact NE-OD2 2.77Å; R19-D41 PolarHBondContact NE-OD2 2.84Å; D39-D41 PolarHBondContact O-N 3.38Å; D39-D41 PolarHBondContact OD1-N 3.05Å |
| 42 | C | 89.1 | Confident | 88.6 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -0.5 | 177.5 | 70.4 | 0 | 0 | 0 | 0 | 115.6 | D39 K44 | D39-C42 PolarHBondContact O-N 3.11Å; D39-C42 PolarHBondContact OD2-SG 2.88Å; C42-K44 PolarHBondContact O-N 3.28Å |
| 43 | D | 90.1 | Very high | 89.4 | Confident | 138 Ų | 138 | 42.1 Ų | 42.1 | 74% | 0.738 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 34.1 | -176.8 | -156.7 | 26.1 | 0 | 0 | 0 | 114.2 | D39 | D39-D43 WeakPolarHBondContact O-CA 3.47Å; D39-D43 PolarHBondContact O-N 3.22Å |
| 44 | K | 92.2 | Very high | 89.8 | Confident | 132 Ų | 132 | 45.3 Ų | 45.3 | 57% | 0.574 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.6 | 176.9 | -65.1 | -173.3 | 177.2 | -173.4 | 0 | 111.9 | V38 D39 C42 | V38-K44 WeakPolarHBondContact CA-O 3.48Å; D39-K44 PolarHBondContact N-O 2.63Å; C42-K44 PolarHBondContact O-N 3.28Å |
| 45 | R | 93.6 | Very high | 89.4 | Confident | 79 Ų | 79 | 47 Ų | 47 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.2 | 166 | -169.5 | 164.3 | -65.5 | -77.7 | -14.6 | 109.5 | D22 S36 A37 V38 Y110 | D22-R45 IonicContact OD2-CZ 3.32Å; D22-R45 IonicContact OD2-NH1 2.64Å; D22-R45 PolarHBondContact OD2-NH1 2.4Å; D22-R45 IonicContact OD2-NH2 2.77Å; D22-R45 PolarHBondContact OD2-NH2 3.15Å; S36-R45 PolarHBondContact OG-NH1 3.37Å; A37-R45 CarbonylContact O-C 3.57Å; A37-R45 VanDerWaalsContact O-CA 3.29Å; A37-R45 WeakPolarHBondContact O-CA 3.23Å; A37-R45 WeakPolarHBondContact O-CG 3.22Å; V38-R45 VanDerWaalsContact CG2-NH2 3.32Å; R45-Y110 HydrophobicContact CB-CD1 4.07Å; R45-Y110 HydrophobicContact CB-CG 4.23Å; R45-Y110 HydrophobicContact CG-CD1 3.77Å; R45-Y110 HydrophobicContact CG-CD2 4.09Å; R45-Y110 HydrophobicContact CG-CE1 4.29Å; R45-Y110 HydrophobicContact CG-CG 3.66Å; R45-Y110 VanDerWaalsContact O-CB 3.32Å; R45-Y110 WeakPolarHBondContact O-CB 3.43Å |
| 46 | V | 94.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.5 | 177.1 | -62 | 0 | 0 | 0 | 0 | 109.4 | Y20 S36 A37 D39 V48 F81 V107 | Y20-V46 HydrophobicContact CD1-CG2 3.9Å; Y20-V46 HydrophobicContact CE1-CG2 3.92Å; S36-V46 CarbonylContact C-O 3.56Å; S36-V46 WeakPolarHBondContact CA-O 3.45Å; A37-V46 HydrophobicContact CB-CG2 4.09Å; A37-V46 PolarHBondContact N-O 2.87Å; A37-V46 PolarHBondContact O-N 3.5Å; D39-V46 HydrophobicContact CB-CG1 4.41Å; V46-V48 HydrophobicContact CG2-CG2 4.08Å; V46-F81 HydrophobicContact CG1-CD2 4.04Å; V46-F81 HydrophobicContact CG1-CE2 3.97Å; V46-V107 HydrophobicContact CB-CG1 3.96Å; V46-V107 HydrophobicContact CG1-CG1 4.27Å; V46-V107 HydrophobicContact CG2-CG1 3.91Å |
| 47 | A | 94.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 143.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L26 F35 Q108 | L26-A47 HydrophobicContact CD1-CB 4.23Å; F35-A47 CarbonylContact O-C 3.59Å; F35-A47 WeakPolarHBondContact O-CA 3.39Å; A47-Q108 HydrophobicContact CB-CG 3.8Å; A47-Q108 PolarHBondContact N-O 3.45Å; A47-Q108 PolarHBondContact O-N 3.41Å |
| 48 | V | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 110 | -179 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | L16 F35 A37 V46 Y105 I106 V107 | L16-V48 HydrophobicContact CD1-CG1 3.94Å; L16-V48 HydrophobicContact CD2-CG1 4.03Å; F35-V48 PolarHBondContact N-O 3.08Å; F35-V48 PolarHBondContact O-N 2.79Å; A37-V48 HydrophobicContact CB-CG2 4.16Å; V46-V48 HydrophobicContact CG2-CG2 4.08Å; V48-Y105 HydrophobicContact CG1-CD1 4.3Å; V48-I106 WeakPolarHBondContact CA-O 3.45Å; V48-V107 HydrophobicContact CG1-CG2 4.36Å; V48-V107 HydrophobicContact CG2-CG2 4.37Å |
| 49 | K | 89.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.6 | 176.5 | 172.9 | -177.9 | 169 | -172.8 | 0 | 109 | V34 I51 E65 Y105 I106 D171 | V34-K49 HydrophobicContact CG2-CB 4.21Å; V34-K49 HydrophobicContact CG2-CG 4.32Å; K49-I51 HydrophobicContact CG-CG1 4.42Å; K49-E65 IonicContact NZ-OE1 2.96Å; K49-E65 PolarHBondContact NZ-OE1 3.4Å; K49-E65 IonicContact NZ-OE2 3.14Å; K49-E65 PolarHBondContact NZ-OE2 2.89Å; K49-Y105 WeakPolarHBondContact O-CA 3.49Å; K49-I106 HydrophobicContact CB-CB 4.43Å; K49-I106 HydrophobicContact CD-CD1 4.47Å; K49-I106 PolarHBondContact N-O 2.96Å; K49-I106 PolarHBondContact O-N 2.73Å; K49-D171 IonicContact NZ-OD1 3.74Å; K49-D171 PolarHBondContact NZ-OD1 3.35Å |
| 50 | K | 87.4 | Confident | 86.2 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.5 | 173.4 | 179.1 | -175 | 178.6 | 177.2 | 0 | 110.2 | H12 G13 F14 C103 V104 Y105 | H12-K50 PolarHBondContact O-NZ 3.05Å; G13-K50 PolarHBondContact O-NZ 3.17Å; F14-K50 HydrophobicContact CD2-CD 3.86Å; F14-K50 HydrophobicContact CE1-CB 3.73Å; F14-K50 HydrophobicContact CE1-CD 4.47Å; F14-K50 HydrophobicContact CE2-CB 3.84Å; F14-K50 HydrophobicContact CE2-CD 3.53Å; F14-K50 HydrophobicContact CE2-CG 4.34Å; F14-K50 HydrophobicContact CG-CD 4.45Å; F14-K50 HydrophobicContact CZ-CB 3.27Å; F14-K50 HydrophobicContact CZ-CD 3.89Å; F14-K50 HydrophobicContact CZ-CG 4.21Å; K50-C103 HydrophobicContact CG-CB 4.36Å; K50-V104 WeakPolarHBondContact CA-O 3.41Å; K50-Y105 HydrophobicContact CB-CD1 3.72Å; K50-Y105 HydrophobicContact CB-CE1 3.81Å; K50-Y105 HydrophobicContact CD-CD1 4.43Å; K50-Y105 HydrophobicContact CD-CE1 3.67Å; K50-Y105 HydrophobicContact CG-CD1 3.89Å; K50-Y105 HydrophobicContact CG-CE1 3.59Å |
| 51 | I | 84.8 | Confident | 85.7 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.1 | 169.2 | -56.9 | 179.9 | 0 | 0 | 0 | 108.2 | K49 L53 A62 E65 C103 V104 I106 | K49-I51 HydrophobicContact CG-CG1 4.42Å; I51-L53 HydrophobicContact CG2-CD2 4.14Å; I51-A62 HydrophobicContact CD1-CB 4.46Å; I51-A62 HydrophobicContact CG2-CB 3.94Å; I51-E65 WeakPolarHBondContact CD1-OE2 3.24Å; I51-C103 CarbonylContact O-C 3.59Å; I51-C103 WeakPolarHBondContact O-CA 3.48Å; I51-C103 VanDerWaalsContact O-CB 3.25Å; I51-C103 WeakPolarHBondContact O-CB 3.29Å; I51-V104 HydrophobicContact CB-CG2 4.02Å; I51-V104 PolarHBondContact N-O 3.46Å; I51-V104 PolarHBondContact O-N 3.24Å; I51-I106 HydrophobicContact CD1-CD1 3.57Å; I51-I106 HydrophobicContact CD1-CG1 4.37Å; I51-I106 HydrophobicContact CG1-CD1 4.38Å |
| 52 | V | 83.6 | Confident | 85.3 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 47% | 0.473 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 136.2 | 175.5 | -170 | 0 | 0 | 0 | 0 | 108.9 | T54 | V52-T54 HydrophobicContact CG1-CG2 3.99Å |
| 53 | L | 84 | Confident | 84.9 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | trans | -108.3 | 88.9 | -176.6 | -57.8 | -176.9 | 0 | 0 | 0 | 108.2 | I51 V59 A62 L101 N102 V104 | I51-L53 HydrophobicContact CG2-CD2 4.14Å; L53-V59 HydrophobicContact CB-CG2 3.95Å; L53-V59 HydrophobicContact CD1-CG2 4.45Å; L53-V59 HydrophobicContact CD2-CG2 4.17Å; L53-V59 HydrophobicContact CG-CG2 4.4Å; L53-A62 HydrophobicContact CD2-CB 3.6Å; L53-L101 WeakPolarHBondContact CB-O 3.42Å; L53-L101 HydrophobicContact CD1-CB 4.3Å; L53-L101 WeakPolarHBondContact CD1-O 3.47Å; L53-N102 PolarHBondContact N-O 3Å; L53-V104 HydrophobicContact CD1-CG1 4.13Å | ||
| 54 | T | 82.4 | Confident | 84.7 | Confident | 108 Ų | 108 | 41.2 Ų | 41.2 | 66% | 0.663 | 22% | 0.215 | S | C | * | . | trans | -92.5 | -27.3 | -174 | 39.7 | 0 | 0 | 0 | 0 | 114 | V52 S58 | V52-T54 HydrophobicContact CG1-CG2 3.99Å; T54-S58 PolarHBondContact N-OG 3.41Å | ||
| 55 | D | 79.9 | Confident | 84.4 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 37% | 0.369 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -162.7 | 163.2 | -165.8 | 63.7 | 84.6 | 0 | 0 | 0 | 111.5 | Q57 S58 V59 | D55-Q57 PolarHBondContact O-N 2.8Å; D55-Q57 VanDerWaalsContact O-N 3.16Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.32Å; D55-Q57 VanDerWaalsContact OD1-CB 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.38Å; D55-Q57 PolarHBondContact OD1-N 3.43Å; D55-S58 PolarHBondContact N-OG 2.63Å; D55-S58 PolarHBondContact O-N 3.36Å; D55-S58 VanDerWaalsContact O-N 3.12Å; D55-S58 PolarHBondContact O-OG 3.3Å; D55-S58 PolarHBondContact OD1-N 2.92Å; D55-S58 WeakPolarHBondContact OD2-CB 3.47Å; D55-S58 PolarHBondContact OD2-OG 3.42Å; D55-V59 PolarHBondContact O-N 2.93Å |
| 56 | P | 76.9 | Confident | 84.1 | Confident | 91 Ų | 91 | 32.3 Ų | 32.3 | 59% | 0.591 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -57 | -31 | -178.2 | -28 | 36.8 | 0 | 0 | 0 | 115 | K60 M344 | P56-K60 WeakPolarHBondContact O-CB 3.46Å; P56-K60 PolarHBondContact O-N 2.97Å; P56-M344 HydrophobicContact CB-SD 3.85Å; P56-M344 WeakPolarHBondContact O-CE 3.42Å |
| 57 | Q | 77.6 | Confident | 83.7 | Confident | 101 Ų | 101 | 34.2 Ų | 34.2 | 47% | 0.472 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -74.6 | -39.9 | 178.7 | -167.7 | 66.6 | 33.8 | 0 | 0 | 111 | D55 K60 H61 | D55-Q57 PolarHBondContact O-N 2.8Å; D55-Q57 VanDerWaalsContact O-N 3.16Å; D55-Q57 WeakPolarHBondContact OD1-CA 3.32Å; D55-Q57 VanDerWaalsContact OD1-CB 3.31Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.38Å; D55-Q57 PolarHBondContact OD1-N 3.43Å; Q57-K60 PolarHBondContact O-N 3.3Å; Q57-H61 PolarHBondContact NE2-NE2 2.78Å; Q57-H61 PolarHBondContact O-N 3.4Å |
| 58 | S | 79 | Confident | 83.4 | Confident | 21 Ų | 21 | 34 Ų | 34 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 172.3 | 72.7 | 0 | 0 | 0 | 0 | 112 | T54 D55 H61 A62 | T54-S58 PolarHBondContact N-OG 3.41Å; D55-S58 PolarHBondContact N-OG 2.63Å; D55-S58 PolarHBondContact O-N 3.36Å; D55-S58 VanDerWaalsContact O-N 3.12Å; D55-S58 PolarHBondContact O-OG 3.3Å; D55-S58 PolarHBondContact OD1-N 2.92Å; D55-S58 WeakPolarHBondContact OD2-CB 3.47Å; D55-S58 PolarHBondContact OD2-OG 3.42Å; S58-H61 PolarHBondContact O-N 3.13Å; S58-A62 WeakPolarHBondContact O-CB 3.32Å; S58-A62 PolarHBondContact O-N 3.18Å |
| 59 | V | 80.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 9% | 0.085 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | L53 D55 H61 A62 L63 M344 | L53-V59 HydrophobicContact CB-CG2 3.95Å; L53-V59 HydrophobicContact CD1-CG2 4.45Å; L53-V59 HydrophobicContact CD2-CG2 4.17Å; L53-V59 HydrophobicContact CG-CG2 4.4Å; D55-V59 PolarHBondContact O-N 2.93Å; V59-H61 PolarHBondContact O-N 3.41Å; V59-A62 PolarHBondContact O-N 3.32Å; V59-L63 HydrophobicContact CG1-CD1 3.96Å; V59-L63 HydrophobicContact CG1-CG 4.08Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 VanDerWaalsContact O-CG 3.29Å; V59-L63 WeakPolarHBondContact O-CG 3.13Å; V59-L63 PolarHBondContact O-N 3.06Å; V59-M344 HydrophobicContact CB-CE 3.7Å; V59-M344 HydrophobicContact CG1-CE 3.49Å; V59-M344 VanDerWaalsContact CG1-CE 3.49Å |
| 60 | K | 78.5 | Confident | 83.2 | Confident | 28 Ų | 28 | 41 Ų | 41 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -29.7 | 176.7 | 177.5 | 154.3 | -171.8 | 154.4 | 0 | 113 | P56 Q57 R64 E337 D340 M344 | P56-K60 WeakPolarHBondContact O-CB 3.46Å; P56-K60 PolarHBondContact O-N 2.97Å; Q57-K60 PolarHBondContact O-N 3.3Å; K60-R64 PolarHBondContact O-NH1 3.28Å; K60-E337 PolarHBondContact NZ-O 2.91Å; K60-D340 HydrophobicContact CD-CB 3.75Å; K60-D340 VanDerWaalsContact CE-CB 3.45Å; K60-D340 WeakPolarHBondContact CE-OD2 3.47Å; K60-D340 HydrophobicContact CG-CB 3.92Å; K60-M344 HydrophobicContact CB-CE 4.12Å |
| 61 | H | 80.2 | Confident | 83.2 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.9 | -48.6 | 172.4 | -72.1 | -177.8 | 0 | 0 | 0 | 111.6 | Q57 S58 V59 L63 R64 E65 R176 | Q57-H61 PolarHBondContact NE2-NE2 2.78Å; Q57-H61 PolarHBondContact O-N 3.4Å; S58-H61 PolarHBondContact O-N 3.13Å; V59-H61 PolarHBondContact O-N 3.41Å; H61-L63 PolarHBondContact O-N 2.94Å; H61-R64 PolarHBondContact O-N 2.9Å; H61-E65 PolarHBondContact O-N 2.92Å; H61-R176 PolarHBondContact NE2-NH2 3.03Å |
| 62 | A | 82.2 | Confident | 83.6 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I51 L53 S58 V59 R64 E65 I66 | I51-A62 HydrophobicContact CD1-CB 4.46Å; I51-A62 HydrophobicContact CG2-CB 3.94Å; L53-A62 HydrophobicContact CD2-CB 3.6Å; S58-A62 WeakPolarHBondContact O-CB 3.32Å; S58-A62 PolarHBondContact O-N 3.18Å; V59-A62 PolarHBondContact O-N 3.32Å; A62-R64 PolarHBondContact O-N 3.24Å; A62-E65 PolarHBondContact O-N 3.06Å; A62-I66 WeakPolarHBondContact O-CB 3.35Å; A62-I66 WeakPolarHBondContact O-CD1 3.4Å; A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.41Å; A62-I66 PolarHBondContact O-N 3.29Å |
| 63 | L | 80.7 | Confident | 84.1 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 177.9 | -72.7 | -178.6 | 0 | 0 | 0 | 112.3 | V59 H61 I66 K67 V95 L98 M344 | V59-L63 HydrophobicContact CG1-CD1 3.96Å; V59-L63 HydrophobicContact CG1-CG 4.08Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 VanDerWaalsContact O-CG 3.29Å; V59-L63 WeakPolarHBondContact O-CG 3.13Å; V59-L63 PolarHBondContact O-N 3.06Å; H61-L63 PolarHBondContact O-N 2.94Å; L63-I66 PolarHBondContact O-N 3.27Å; L63-K67 WeakPolarHBondContact O-CB 3.36Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-V95 HydrophobicContact CD1-CG1 3.92Å; L63-V95 HydrophobicContact CD2-CG1 3.7Å; L63-V95 HydrophobicContact CG-CG1 4.46Å; L63-L98 HydrophobicContact CD2-CB 4.08Å; L63-L98 HydrophobicContact CD2-CD1 3.34Å; L63-L98 HydrophobicContact CD2-CG 4.32Å; L63-M344 HydrophobicContact CD1-CE 4.37Å |
| 64 | R | 84.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 177.2 | -175.6 | -168.2 | -64.2 | 68.4 | 28.2 | 112.1 | K60 H61 A62 I66 K67 I68 A175 E337 D340 | K60-R64 PolarHBondContact O-NH1 3.28Å; H61-R64 PolarHBondContact O-N 2.9Å; A62-R64 PolarHBondContact O-N 3.24Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.41Å; R64-K67 PolarHBondContact O-N 2.66Å; R64-I68 HydrophobicContact CG-CD1 3.75Å; R64-I68 HydrophobicContact CG-CG1 4.39Å; R64-I68 WeakPolarHBondContact O-CB 3.28Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.48Å; R64-I68 PolarHBondContact O-N 2.74Å; R64-A175 WeakPolarHBondContact CD-O 3.43Å; R64-E337 IonicContact CZ-OE1 2.74Å; R64-E337 VanDerWaalsContact NE-CD 3.31Å; R64-E337 IonicContact NE-OE1 3.89Å; R64-E337 PolarHBondContact NE-OE1 2.9Å; R64-E337 IonicContact NE-OE2 3.44Å; R64-E337 PolarHBondContact NE-OE2 3.03Å; R64-E337 IonicContact NH2-OE1 2.93Å; R64-E337 PolarHBondContact NH2-OE1 3.4Å; R64-D340 IonicContact CZ-OD2 2.81Å; R64-D340 IonicContact NH2-OD2 3.46Å; R64-D340 PolarHBondContact NH2-OD2 2.94Å |
| 65 | E | 87.4 | Confident | 85.4 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 175.1 | -167.5 | -175.6 | 156.2 | 0 | 0 | 109.7 | K49 I51 H61 A62 I68 I69 I106 F172 G173 | K49-E65 IonicContact NZ-OE1 2.96Å; K49-E65 PolarHBondContact NZ-OE1 3.4Å; K49-E65 IonicContact NZ-OE2 3.14Å; K49-E65 PolarHBondContact NZ-OE2 2.89Å; I51-E65 WeakPolarHBondContact CD1-OE2 3.24Å; H61-E65 PolarHBondContact O-N 2.92Å; A62-E65 PolarHBondContact O-N 3.06Å; E65-I68 PolarHBondContact O-N 2.85Å; E65-I69 HydrophobicContact CG-CD1 4.33Å; E65-I69 HydrophobicContact CG-CG2 4.35Å; E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 WeakPolarHBondContact O-CG2 3.21Å; E65-I69 PolarHBondContact O-N 3.26Å; E65-I106 WeakPolarHBondContact OE1-CD1 3.27Å; E65-F172 HydrophobicContact CG-CB 4.19Å; E65-G173 WeakPolarHBondContact OE2-CA 3.38Å |
| 66 | I | 86 | Confident | 86.3 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.1 | -68.8 | 162.6 | 0 | 0 | 0 | 112.2 | A62 L63 R64 I68 R70 I83 V104 | A62-I66 WeakPolarHBondContact O-CB 3.35Å; A62-I66 WeakPolarHBondContact O-CD1 3.4Å; A62-I66 VanDerWaalsContact O-CG1 3.25Å; A62-I66 WeakPolarHBondContact O-CG1 3.41Å; A62-I66 PolarHBondContact O-N 3.29Å; L63-I66 PolarHBondContact O-N 3.27Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.41Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.1Å; I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 VanDerWaalsContact O-CB 3.3Å; I66-R70 WeakPolarHBondContact O-CB 3.37Å; I66-R70 VanDerWaalsContact O-CG 3.23Å; I66-R70 WeakPolarHBondContact O-CG 3.42Å; I66-R70 PolarHBondContact O-N 2.83Å; I66-I83 HydrophobicContact CD1-CG2 3.99Å; I66-I83 HydrophobicContact CG1-CD1 4.3Å; I66-I83 HydrophobicContact CG1-CG2 4.28Å; I66-I83 HydrophobicContact CG2-CD1 4.38Å; I66-I83 HydrophobicContact CG2-CG1 4.05Å; I66-V104 HydrophobicContact CD1-CG2 4.16Å |
| 67 | K | 86.3 | Confident | 87.3 | Confident | 43 Ų | 43 | 36.4 Ų | 36.4 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.3 | -79.7 | 172.8 | 170.9 | 178.7 | 0 | 112.1 | L63 R64 F332 D336 D340 | L63-K67 WeakPolarHBondContact O-CB 3.36Å; L63-K67 VanDerWaalsContact O-CG 3.3Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.44Å; R64-K67 PolarHBondContact O-N 2.66Å; K67-F332 WeakPolarHBondContact O-CZ 3.38Å; K67-D336 WeakPolarHBondContact CD-O 3.41Å; K67-D336 PolarHBondContact NZ-O 3.23Å; K67-D340 IonicContact NZ-OD1 2.67Å; K67-D340 PolarHBondContact NZ-OD1 3.45Å |
| 68 | I | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -59 | 179.9 | -71.5 | 173.6 | 0 | 0 | 0 | 110.6 | R64 E65 I66 R70 R71 L72 V148 F172 A175 I177 F332 | R64-I68 HydrophobicContact CG-CD1 3.75Å; R64-I68 HydrophobicContact CG-CG1 4.39Å; R64-I68 WeakPolarHBondContact O-CB 3.28Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.48Å; R64-I68 PolarHBondContact O-N 2.74Å; E65-I68 PolarHBondContact O-N 2.85Å; I66-I68 VanDerWaalsContact C-N 3.33Å; I66-I68 PolarHBondContact O-N 3.1Å; I68-R70 PolarHBondContact O-N 3.05Å; I68-R70 VanDerWaalsContact O-N 3.14Å; I68-R71 PolarHBondContact O-N 2.83Å; I68-R71 VanDerWaalsContact O-N 3.09Å; I68-L72 HydrophobicContact CG2-CD1 3.59Å; I68-L72 HydrophobicContact CG2-CG 4.24Å; I68-L72 WeakPolarHBondContact O-CG 3.5Å; I68-L72 PolarHBondContact O-N 3Å; I68-V148 HydrophobicContact CD1-CG1 4.13Å; I68-V148 HydrophobicContact CG1-CG2 4.44Å; I68-V148 HydrophobicContact CG2-CG1 4.05Å; I68-V148 HydrophobicContact CG2-CG2 4.41Å; I68-F172 HydrophobicContact CG2-CB 4.42Å; I68-F172 HydrophobicContact CG2-CD1 3.8Å; I68-F172 HydrophobicContact CG2-CE1 4.41Å; I68-F172 HydrophobicContact CG2-CG 4.29Å; I68-A175 HydrophobicContact CD1-CB 3.73Å; I68-I177 HydrophobicContact CD1-CG1 4.48Å; I68-F332 HydrophobicContact CB-CZ 4.46Å; I68-F332 HydrophobicContact CG1-CE1 4.34Å; I68-F332 HydrophobicContact CG1-CZ 4.21Å |
| 69 | I | 88.8 | Confident | 88.9 | Confident | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -19.1 | -173.2 | 70.7 | -161.9 | 0 | 0 | 0 | 113.9 | E65 V80 I83 I106 F172 | E65-I69 HydrophobicContact CG-CD1 4.33Å; E65-I69 HydrophobicContact CG-CG2 4.35Å; E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.39Å; E65-I69 WeakPolarHBondContact O-CG2 3.21Å; E65-I69 PolarHBondContact O-N 3.26Å; I69-V80 HydrophobicContact CB-CG2 3.84Å; I69-V80 HydrophobicContact CD1-CG1 4.43Å; I69-V80 HydrophobicContact CD1-CG2 3.94Å; I69-V80 HydrophobicContact CG1-CB 4.37Å; I69-V80 HydrophobicContact CG1-CG1 4.39Å; I69-V80 HydrophobicContact CG1-CG2 3.86Å; I69-I83 HydrophobicContact CD1-CD1 4.32Å; I69-I106 HydrophobicContact CD1-CD1 3.72Å; I69-I106 HydrophobicContact CD1-CG1 4.36Å; I69-I106 HydrophobicContact CD1-CG2 3.93Å; I69-F172 HydrophobicContact CG2-CB 3.8Å; I69-F172 HydrophobicContact CG2-CD2 3.77Å; I69-F172 HydrophobicContact CG2-CG 3.94Å |
| 70 | R | 86.9 | Confident | 89.5 | Confident | 140 Ų | 140 | 35.6 Ų | 35.6 | 53% | 0.528 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.5 | 175.4 | -75.3 | -175.8 | 66.6 | -175.2 | -1 | 114.7 | I66 I68 I83 D93 | I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 VanDerWaalsContact O-CB 3.3Å; I66-R70 WeakPolarHBondContact O-CB 3.37Å; I66-R70 VanDerWaalsContact O-CG 3.23Å; I66-R70 WeakPolarHBondContact O-CG 3.42Å; I66-R70 PolarHBondContact O-N 2.83Å; I68-R70 PolarHBondContact O-N 3.05Å; I68-R70 VanDerWaalsContact O-N 3.14Å; R70-I83 HydrophobicContact CG-CG1 4.45Å; R70-D93 IonicContact CZ-OD1 2.69Å; R70-D93 IonicContact NH1-OD1 3.61Å; R70-D93 PolarHBondContact NH1-OD1 3.4Å; R70-D93 IonicContact NH2-OD1 2.69Å; R70-D93 PolarHBondContact NH2-OD1 3.4Å |
| 71 | R | 88.7 | Confident | 90.1 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -16.7 | 177.1 | -72.9 | 169.8 | 53.2 | 176.6 | -5.6 | 113.4 | I68 H330 P331 F332 D336 | I68-R71 PolarHBondContact O-N 2.83Å; I68-R71 VanDerWaalsContact O-N 3.09Å; R71-H330 PolarHBondContact NH2-O 2.99Å; R71-P331 VanDerWaalsContact NH2-C 3.32Å; R71-P331 PolarHBondContact NH2-O 3.25Å; R71-F332 HydrophobicContact CB-CE2 4.07Å; R71-F332 HydrophobicContact CB-CZ 3.68Å; R71-F332 HydrophobicContact CG-CZ 4.11Å; R71-D336 IonicContact CZ-OD2 2.62Å; R71-D336 IonicContact NH1-OD1 3.35Å; R71-D336 PolarHBondContact NH1-OD1 2.79Å; R71-D336 IonicContact NH1-OD2 3.71Å; R71-D336 PolarHBondContact NH1-OD2 3.45Å |
| 72 | L | 92.7 | Very high | 90.5 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | trans | -83.6 | 116.6 | 175.1 | -63 | 177.6 | 0 | 0 | 0 | 110.3 | I68 I77 Y142 I143 A146 F172 | I68-L72 HydrophobicContact CG2-CD1 3.59Å; I68-L72 HydrophobicContact CG2-CG 4.24Å; I68-L72 WeakPolarHBondContact O-CG 3.5Å; I68-L72 PolarHBondContact O-N 3Å; L72-I77 HydrophobicContact CB-CD1 4.18Å; L72-I77 HydrophobicContact CD1-CD1 4.38Å; L72-Y142 HydrophobicContact CB-CE1 4.29Å; L72-Y142 HydrophobicContact CD2-CD1 4.09Å; L72-Y142 HydrophobicContact CD2-CE1 3.71Å; L72-I143 HydrophobicContact CD1-CG1 4.4Å; L72-A146 HydrophobicContact CD2-CB 3.89Å; L72-F172 HydrophobicContact CD1-CD1 4.09Å; L72-F172 HydrophobicContact CD1-CE1 3.46Å; L72-F172 VanDerWaalsContact CD1-CE1 3.46Å; L72-F172 HydrophobicContact CD1-CZ 3.74Å | ||
| 73 | D | 94.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 39.1 Ų | 39.1 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | trans | -133.6 | 108.9 | 172.4 | -161.6 | 9.6 | 0 | 0 | 0 | 110.8 | K79 Y142 | D73-K79 IonicContact OD1-NZ 2.76Å; D73-K79 PolarHBondContact OD1-NZ 2.98Å; D73-K79 IonicContact OD2-NZ 2.79Å; D73-K79 PolarHBondContact OD2-NZ 2.68Å; D73-Y142 PolarHBondContact N-OH 3.02Å; D73-Y142 VanDerWaalsContact O-CZ 3.3Å; D73-Y142 PolarHBondContact O-OH 2.76Å; D73-Y142 VanDerWaalsContact O-OH 3.07Å | ||
| 74 | H | 96.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.06 | 18% | 0.178 | C | C | . | . | trans | -162.6 | 144.6 | -171.6 | -179.1 | -103.4 | 0 | 0 | 0 | 110.2 | N76 I77 R138 Y142 | H74-N76 VanDerWaalsContact C-N 3.27Å; H74-N76 PolarHBondContact CE1-OD1 3.2Å; H74-N76 PolarHBondContact ND1-N 3.06Å; H74-N76 PolarHBondContact O-N 3.46Å; H74-I77 HydrophobicContact CB-CB 4.41Å; H74-I77 HydrophobicContact CB-CD1 3.83Å; H74-I77 HydrophobicContact CB-CG1 4.01Å; H74-I77 PolarHBondContact O-N 2.87Å; H74-R138 PolarHBondContact NE2-NH1 3.17Å; H74-Y142 HydrophobicContact CB-CD1 3.88Å; H74-Y142 HydrophobicContact CB-CD2 4.06Å; H74-Y142 HydrophobicContact CB-CE1 4.09Å; H74-Y142 HydrophobicContact CB-CE2 4.25Å; H74-Y142 HydrophobicContact CB-CG 3.85Å; H74-Y142 AromaticContact CD2-CD2 3.79Å; H74-Y142 AromaticContact CD2-CG 3.96Å; H74-Y142 AromaticContact CG-CG 3.88Å | ||
| 75 | D | 96.9 | Very high | 91.2 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.7 | -171 | -42.6 | -67.8 | 0 | 0 | 0 | 113 | I77 R138 K168 | D75-I77 VanDerWaalsContact C-N 3.27Å; D75-I77 PolarHBondContact O-N 3.24Å; D75-R138 IonicContact OD2-CZ 2.63Å; D75-R138 VanDerWaalsContact OD2-CZ 3.31Å; D75-R138 IonicContact OD2-NH1 3.22Å; D75-R138 PolarHBondContact OD2-NH1 3.11Å; D75-R138 IonicContact OD2-NH2 2.63Å; D75-R138 PolarHBondContact OD2-NH2 3.44Å; D75-K168 WeakPolarHBondContact O-CD 3.47Å; D75-K168 WeakPolarHBondContact O-CE 3.48Å; D75-K168 WeakPolarHBondContact O-CG 3.49Å; D75-K168 PolarHBondContact O-NZ 3.16Å; D75-K168 VanDerWaalsContact O-NZ 3.11Å |
| 76 | N | 98.1 | Very high | 91 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 22.4 | 179.8 | -52.7 | 107.3 | 0 | 0 | 0 | 113.6 | H74 Q135 R138 L167 K168 I169 | H74-N76 VanDerWaalsContact C-N 3.27Å; H74-N76 PolarHBondContact CE1-OD1 3.2Å; H74-N76 PolarHBondContact ND1-N 3.06Å; H74-N76 PolarHBondContact O-N 3.46Å; N76-Q135 WeakPolarHBondContact CB-O 3.31Å; N76-Q135 WeakPolarHBondContact ND2-CB 3.43Å; N76-Q135 WeakPolarHBondContact ND2-CG 3.31Å; N76-Q135 PolarHBondContact ND2-OE1 3.07Å; N76-R138 WeakPolarHBondContact OD1-CD 3.46Å; N76-R138 PolarHBondContact OD1-NH1 3.12Å; N76-L167 WeakPolarHBondContact CA-O 3.43Å; N76-L167 PolarHBondContact ND2-O 3.44Å; N76-K168 WeakPolarHBondContact O-CA 3.32Å; N76-I169 PolarHBondContact O-N 2.71Å |
| 77 | I | 97.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 137.5 | 171.1 | -57.7 | 179.5 | 0 | 0 | 0 | 107.6 | L72 H74 D75 K79 Y142 I143 F172 | L72-I77 HydrophobicContact CB-CD1 4.18Å; L72-I77 HydrophobicContact CD1-CD1 4.38Å; H74-I77 HydrophobicContact CB-CB 4.41Å; H74-I77 HydrophobicContact CB-CD1 3.83Å; H74-I77 HydrophobicContact CB-CG1 4.01Å; H74-I77 PolarHBondContact O-N 2.87Å; D75-I77 VanDerWaalsContact C-N 3.27Å; D75-I77 PolarHBondContact O-N 3.24Å; I77-K79 PolarHBondContact O-N 2.68Å; I77-K79 VanDerWaalsContact O-N 3.16Å; I77-Y142 HydrophobicContact CD1-CD1 3.72Å; I77-Y142 HydrophobicContact CD1-CE1 4.26Å; I77-I143 HydrophobicContact CD1-CD1 3.99Å; I77-I143 HydrophobicContact CD1-CG1 3.61Å; I77-I143 HydrophobicContact CG1-CD1 4.3Å; I77-I143 HydrophobicContact CG1-CG1 4.43Å; I77-F172 HydrophobicContact CG2-CE2 3.82Å; I77-F172 HydrophobicContact CG2-CZ 3.86Å |
| 78 | V | 96.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 117 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 109.2 | V80 Q108 E109 F159 K168 I169 | V78-V80 PolarHBondContact O-N 3.19Å; V78-Q108 HydrophobicContact CG1-CB 4.13Å; V78-Q108 HydrophobicContact CG1-CG 4.06Å; V78-E109 HydrophobicContact CG1-CB 4.17Å; V78-F159 HydrophobicContact CG2-CB 4.36Å; V78-F159 HydrophobicContact CG2-CD2 3.62Å; V78-F159 HydrophobicContact CG2-CE2 4.35Å; V78-F159 HydrophobicContact CG2-CG 4.25Å; V78-K168 HydrophobicContact CG2-CB 3.79Å; V78-I169 PolarHBondContact N-O 2.84Å |
| 79 | K | 94.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 128.4 | -175.4 | -162.4 | -179.8 | -171.2 | 90.4 | 0 | 110.8 | D73 I77 F81 Q108 E109 | D73-K79 IonicContact OD1-NZ 2.76Å; D73-K79 PolarHBondContact OD1-NZ 2.98Å; D73-K79 IonicContact OD2-NZ 2.79Å; D73-K79 PolarHBondContact OD2-NZ 2.68Å; I77-K79 PolarHBondContact O-N 2.68Å; I77-K79 VanDerWaalsContact O-N 3.16Å; K79-F81 HydrophobicContact CB-CE1 4.47Å; K79-F81 HydrophobicContact CD-CE1 4.16Å; K79-F81 HydrophobicContact CG-CE1 4.42Å; K79-Q108 CarbonylContact O-C 3.56Å; K79-Q108 WeakPolarHBondContact O-CA 3.36Å; K79-E109 HydrophobicContact CB-CB 4.34Å; K79-E109 PolarHBondContact N-OE2 3.41Å; K79-E109 WeakPolarHBondContact O-CB 3.44Å; K79-E109 PolarHBondContact O-N 2.9Å |
| 80 | V | 92.4 | Very high | 89.3 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131 | 171.4 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | I69 V78 I83 I106 Q108 | I69-V80 HydrophobicContact CB-CG2 3.84Å; I69-V80 HydrophobicContact CD1-CG1 4.43Å; I69-V80 HydrophobicContact CD1-CG2 3.94Å; I69-V80 HydrophobicContact CG1-CB 4.37Å; I69-V80 HydrophobicContact CG1-CG1 4.39Å; I69-V80 HydrophobicContact CG1-CG2 3.86Å; V78-V80 PolarHBondContact O-N 3.19Å; V80-I83 HydrophobicContact CG1-CD1 3.8Å; V80-I106 HydrophobicContact CG1-CG2 3.85Å; V80-I106 HydrophobicContact CG2-CG2 4.05Å; V80-Q108 HydrophobicContact CG2-CB 4.15Å |
| 81 | F | 91.1 | Very high | 88.5 | Confident | 102 Ų | 102 | 46.1 Ų | 46.1 | 45% | 0.447 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -46.4 | -178.6 | -57.8 | -51.3 | 0 | 0 | 0 | 111.7 | V46 K79 V107 Q108 E109 | V46-F81 HydrophobicContact CG1-CD2 4.04Å; V46-F81 HydrophobicContact CG1-CE2 3.97Å; K79-F81 HydrophobicContact CB-CE1 4.47Å; K79-F81 HydrophobicContact CD-CE1 4.16Å; K79-F81 HydrophobicContact CG-CE1 4.42Å; F81-V107 HydrophobicContact CD2-CG1 4.45Å; F81-V107 PolarHBondContact N-O 2.9Å; F81-Q108 VanDerWaalsContact CE2-C 3.49Å; F81-E109 HydrophobicContact CE2-CB 4.34Å; F81-E109 HydrophobicContact CZ-CB 4.07Å |
| 82 | E | 88.6 | Confident | 87.2 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 159.8 | -177.4 | 56.5 | -167.8 | 94.9 | 0 | 0 | 112.6 | R19 Y20 L84 V107 | R19-E82 IonicContact CZ-OE1 3.97Å; R19-E82 VanDerWaalsContact CZ-OE1 3.23Å; R19-E82 IonicContact CZ-OE2 3.23Å; R19-E82 IonicContact NH1-OE1 2.81Å; R19-E82 PolarHBondContact NH1-OE1 2.8Å; R19-E82 IonicContact NH1-OE2 2.88Å; R19-E82 PolarHBondContact NH1-OE2 2.63Å; R19-E82 IonicContact NH2-OE1 2.84Å; R19-E82 PolarHBondContact NH2-OE1 2.87Å; R19-E82 IonicContact NH2-OE2 2.71Å; Y20-E82 PolarHBondContact OH-OE1 2.91Å; Y20-E82 PolarHBondContact OH-OE2 2.91Å; Y20-E82 VanDerWaalsContact OH-OE2 3.14Å; E82-L84 HydrophobicContact CG-CG 4.45Å; E82-L84 WeakPolarHBondContact OE2-CD2 3.38Å; E82-V107 HydrophobicContact CG-CB 3.77Å; E82-V107 HydrophobicContact CG-CG1 4.31Å; E82-V107 HydrophobicContact CG-CG2 4.02Å; E82-V107 PolarHBondContact N-O 3.29Å; E82-V107 PolarHBondContact O-N 2.85Å |
| 83 | I | 88.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.7 | 174.5 | -42 | -65 | 0 | 0 | 0 | 107.9 | I66 I69 R70 V80 L91 Y105 I106 | I66-I83 HydrophobicContact CD1-CG2 3.99Å; I66-I83 HydrophobicContact CG1-CD1 4.3Å; I66-I83 HydrophobicContact CG1-CG2 4.28Å; I66-I83 HydrophobicContact CG2-CD1 4.38Å; I66-I83 HydrophobicContact CG2-CG1 4.05Å; I69-I83 HydrophobicContact CD1-CD1 4.32Å; R70-I83 HydrophobicContact CG-CG1 4.45Å; V80-I83 HydrophobicContact CG1-CD1 3.8Å; I83-L91 HydrophobicContact CB-CD1 4.49Å; I83-L91 HydrophobicContact CG2-CD1 3.92Å; I83-Y105 WeakPolarHBondContact CA-O 3.4Å; I83-I106 HydrophobicContact CD1-CB 4.4Å; I83-I106 HydrophobicContact CD1-CG1 4.11Å; I83-I106 HydrophobicContact CD1-CG2 4.09Å |
| 84 | L | 88.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.6 | -174.9 | -61.9 | 172.4 | 0 | 0 | 0 | 111.8 | L16 Y20 E82 S89 L91 V104 Y105 V107 | L16-L84 HydrophobicContact CD2-CD1 4.38Å; Y20-L84 HydrophobicContact CD2-CD1 4.17Å; Y20-L84 HydrophobicContact CE2-CD1 3.43Å; Y20-L84 VanDerWaalsContact CE2-CD1 3.43Å; E82-L84 HydrophobicContact CG-CG 4.45Å; E82-L84 WeakPolarHBondContact OE2-CD2 3.38Å; L84-S89 CarbonylContact C-O 3.48Å; L84-S89 WeakPolarHBondContact CA-O 3.4Å; L84-L91 VanDerWaalsContact C-CD1 3.43Å; L84-V104 CarbonylContact O-C 3.58Å; L84-V104 WeakPolarHBondContact O-CA 3.41Å; L84-Y105 PolarHBondContact N-O 2.99Å; L84-Y105 PolarHBondContact O-N 2.94Å; L84-V107 HydrophobicContact CD1-CG2 3.7Å; L84-V107 HydrophobicContact CG-CG2 4.28Å |
| 85 | G | 86.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -83.8 | -172.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G88 S89 | G85-G88 PolarHBondContact O-N 2.9Å; G85-S89 PolarHBondContact N-O 3.34Å | ||
| 86 | P | 82.3 | Confident | 79.5 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -52.4 | 155.1 | 169.7 | -25.6 | 35.8 | 0 | 0 | 0 | 113.1 | G88 S89 L101 | P86-G88 PolarHBondContact O-N 3.27Å; P86-G88 VanDerWaalsContact O-N 3.13Å; P86-S89 WeakPolarHBondContact O-CB 3.2Å; P86-S89 PolarHBondContact O-N 2.78Å; P86-S89 PolarHBondContact O-OG 2.73Å; P86-L101 HydrophobicContact CG-CD2 4.27Å |
| 87 | S | 80.4 | Confident | 77.5 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 55.4 | 21.9 | -176.8 | -50.7 | 0 | 0 | 0 | 0 | 115.4 | D15 S89 | D15-S87 VanDerWaalsContact CG-CA 3.4Å; D15-S87 WeakPolarHBondContact O-CA 3.47Å; D15-S87 PolarHBondContact O-N 3.42Å; D15-S87 WeakPolarHBondContact OD1-CA 3.42Å; D15-S87 WeakPolarHBondContact OD2-CA 3.27Å; D15-S87 WeakPolarHBondContact OD2-CB 3.18Å; D15-S87 PolarHBondContact OD2-N 2.79Å; D15-S87 PolarHBondContact OD2-OG 3.42Å; S87-S89 VanDerWaalsContact C-N 3.25Å; S87-S89 PolarHBondContact O-N 2.87Å |
| 88 | G | 77.6 | Confident | 75.8 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | 65.7 | 26.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D15 G85 P86 | D15-G88 PolarHBondContact O-N 3.45Å; G85-G88 PolarHBondContact O-N 2.9Å; P86-G88 PolarHBondContact O-N 3.27Å; P86-G88 VanDerWaalsContact O-N 3.13Å |
| 89 | S | 80.8 | Confident | 74.2 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 130.5 | 175.2 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | L84 G85 P86 S87 L91 | L84-S89 CarbonylContact C-O 3.48Å; L84-S89 WeakPolarHBondContact CA-O 3.4Å; G85-S89 PolarHBondContact N-O 3.34Å; P86-S89 WeakPolarHBondContact O-CB 3.2Å; P86-S89 PolarHBondContact O-N 2.78Å; P86-S89 PolarHBondContact O-OG 2.73Å; S87-S89 VanDerWaalsContact C-N 3.25Å; S87-S89 PolarHBondContact O-N 2.87Å; S89-L91 PolarHBondContact O-N 3.32Å |
| 90 | Q | 76.1 | Confident | 72.8 | Confident | 158 Ų | 158 | 60.3 Ų | 60.3 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -70.7 | 127.2 | 171.3 | -171.5 | 174.3 | 30.3 | 0 | 0 | 109.1 | ||
| 91 | L | 70.6 | Confident | 71.9 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 126.7 | 177.2 | -67.7 | 159.5 | 0 | 0 | 0 | 109.2 | I83 L84 S89 L98 L101 V104 | I83-L91 HydrophobicContact CB-CD1 4.49Å; I83-L91 HydrophobicContact CG2-CD1 3.92Å; L84-L91 VanDerWaalsContact C-CD1 3.43Å; S89-L91 PolarHBondContact O-N 3.32Å; L91-L98 HydrophobicContact CD1-CD2 3.82Å; L91-L98 HydrophobicContact CD2-CD2 4.05Å; L91-L98 HydrophobicContact CG-CD2 4.46Å; L91-L101 HydrophobicContact CD2-CD1 3.61Å; L91-V104 HydrophobicContact CD1-CG1 4.05Å |
| 92 | T | 59.8 | Low | 71.4 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 55% | 0.546 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 162.8 | 164.3 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | D94 | T92-D94 VanDerWaalsContact CB-OD2 3.29Å; T92-D94 WeakPolarHBondContact CB-OD2 3.44Å; T92-D94 PolarHBondContact O-N 3.5Å; T92-D94 PolarHBondContact OG1-OD2 2.79Å |
| 93 | D | 54.4 | Low | 71.2 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 60% | 0.599 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -69.1 | -1.3 | -174 | -63.1 | -54 | 0 | 0 | 0 | 114.4 | R70 V95 | R70-D93 IonicContact CZ-OD1 2.69Å; R70-D93 IonicContact NH1-OD1 3.61Å; R70-D93 PolarHBondContact NH1-OD1 3.4Å; R70-D93 IonicContact NH2-OD1 2.69Å; R70-D93 PolarHBondContact NH2-OD1 3.4Å; D93-V95 PolarHBondContact O-N 3.42Å |
| 94 | D | 55.8 | Low | 71.2 | Confident | 106 Ų | 106 | 60 Ų | 60 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | trans | -70.2 | 94.8 | 179.5 | -50.8 | -71.3 | 0 | 0 | 0 | 110.9 | T92 G96 S97 | T92-D94 VanDerWaalsContact CB-OD2 3.29Å; T92-D94 WeakPolarHBondContact CB-OD2 3.44Å; T92-D94 PolarHBondContact O-N 3.5Å; T92-D94 PolarHBondContact OG1-OD2 2.79Å; D94-G96 PolarHBondContact O-N 3.31Å; D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.86Å | ||
| 95 | V | 53.5 | Low | 71.2 | Confident | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -54 | -27.9 | -178.3 | -177.7 | 0 | 0 | 0 | 0 | 113 | L63 D93 S97 L98 L343 | L63-V95 HydrophobicContact CD1-CG1 3.92Å; L63-V95 HydrophobicContact CD2-CG1 3.7Å; L63-V95 HydrophobicContact CG-CG1 4.46Å; D93-V95 PolarHBondContact O-N 3.42Å; V95-S97 PolarHBondContact O-N 2.93Å; V95-L98 WeakPolarHBondContact O-CB 3.28Å; V95-L98 PolarHBondContact O-N 3.04Å; V95-L343 HydrophobicContact CB-CD1 3.84Å; V95-L343 HydrophobicContact CG1-CD1 3.55Å |
| 96 | G | 55.2 | Low | 71.4 | Confident | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -60.5 | -21.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | D94 L98 T99 | D94-G96 PolarHBondContact O-N 3.31Å; G96-L98 PolarHBondContact O-N 2.87Å; G96-T99 PolarHBondContact O-OG1 3.39Å; G96-T99 VanDerWaalsContact O-OG1 3.06Å |
| 97 | S | 58 | Low | 71.9 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -72.7 | -15.7 | 172.5 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | D94 V95 L101 | D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.86Å; V95-S97 PolarHBondContact O-N 2.93Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å |
| 98 | L | 62 | Low | 72.6 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -88.1 | -18.6 | -173.2 | -65 | 170.2 | 0 | 0 | 0 | 113.3 | L63 L91 V95 G96 L101 V104 | L63-L98 HydrophobicContact CD2-CB 4.08Å; L63-L98 HydrophobicContact CD2-CD1 3.34Å; L63-L98 HydrophobicContact CD2-CG 4.32Å; L91-L98 HydrophobicContact CD1-CD2 3.82Å; L91-L98 HydrophobicContact CD2-CD2 4.05Å; L91-L98 HydrophobicContact CG-CD2 4.46Å; V95-L98 WeakPolarHBondContact O-CB 3.28Å; V95-L98 PolarHBondContact O-N 3.04Å; G96-L98 PolarHBondContact O-N 2.87Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L98-V104 HydrophobicContact CD2-CG1 3.84Å |
| 99 | T | 60.5 | Low | 73.3 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -20.9 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 113 | G96 | G96-T99 PolarHBondContact O-OG1 3.39Å; G96-T99 VanDerWaalsContact O-OG1 3.06Å |
| 100 | E | 66 | Low | 74 | Confident | 166 Ų | 166 | 58.1 Ų | 58.1 | 78% | 0.776 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5.9 | 175.5 | -60.1 | -162.2 | 153.4 | 0 | 0 | 113.7 | ||
| 101 | L | 73.8 | Confident | 74.8 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | trans | -100.9 | 137.3 | -172.9 | -54.4 | -179.5 | 0 | 0 | 0 | 112.8 | L53 P86 L91 S97 L98 C103 V104 | L53-L101 WeakPolarHBondContact CB-O 3.42Å; L53-L101 HydrophobicContact CD1-CB 4.3Å; L53-L101 WeakPolarHBondContact CD1-O 3.47Å; P86-L101 HydrophobicContact CG-CD2 4.27Å; L91-L101 HydrophobicContact CD2-CD1 3.61Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L101-C103 VanDerWaalsContact C-N 3.35Å; L101-V104 HydrophobicContact CD1-CG1 4.03Å | ||
| 102 | N | 80.6 | Confident | 75.8 | Confident | 128 Ų | 128 | 54.1 Ų | 54.1 | 68% | 0.684 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -80.6 | -14.5 | 173 | -57.9 | -70.2 | 0 | 0 | 0 | 113.3 | L53 | L53-N102 PolarHBondContact N-O 3Š|
| 103 | C | 84.6 | Confident | 77.4 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 157.9 | 178.4 | 60.2 | 0 | 0 | 0 | 0 | 112 | K50 I51 L101 | K50-C103 HydrophobicContact CG-CB 4.36Å; I51-C103 CarbonylContact O-C 3.59Å; I51-C103 WeakPolarHBondContact O-CA 3.48Å; I51-C103 VanDerWaalsContact O-CB 3.25Å; I51-C103 WeakPolarHBondContact O-CB 3.29Å; L101-C103 VanDerWaalsContact C-N 3.35Å |
| 104 | V | 87.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.1 | 170 | -67.7 | 0 | 0 | 0 | 0 | 110.2 | K50 I51 L53 I66 L84 L91 L98 L101 | K50-V104 WeakPolarHBondContact CA-O 3.41Å; I51-V104 HydrophobicContact CB-CG2 4.02Å; I51-V104 PolarHBondContact N-O 3.46Å; I51-V104 PolarHBondContact O-N 3.24Å; L53-V104 HydrophobicContact CD1-CG1 4.13Å; I66-V104 HydrophobicContact CD1-CG2 4.16Å; L84-V104 CarbonylContact O-C 3.58Å; L84-V104 WeakPolarHBondContact O-CA 3.41Å; L91-V104 HydrophobicContact CD1-CG1 4.05Å; L98-V104 HydrophobicContact CD2-CG1 3.84Å; L101-V104 HydrophobicContact CD1-CG1 4.03Å |
| 105 | Y | 89.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.8 | 178.2 | -52.3 | -94.1 | 0 | 0 | 0 | 109.7 | G13 F14 D15 L16 V48 K49 K50 I83 L84 | G13-Y105 PolarHBondContact O-OH 2.92Å; F14-Y105 HydrophobicContact CD1-CD1 4.07Å; F14-Y105 AromaticContact CD1-CE1 3.65Å; F14-Y105 HydrophobicContact CD1-CE1 3.65Å; F14-Y105 HydrophobicContact CE1-CD1 4.05Å; F14-Y105 AromaticContact CE1-CE1 3.96Å; F14-Y105 HydrophobicContact CE1-CE1 3.96Å; F14-Y105 HydrophobicContact CG-CE1 4.06Å; D15-Y105 PolarHBondContact N-OH 3.29Å; L16-Y105 HydrophobicContact CD2-CD1 3.61Å; L16-Y105 HydrophobicContact CD2-CD2 3.86Å; L16-Y105 HydrophobicContact CD2-CE1 4.12Å; L16-Y105 HydrophobicContact CD2-CE2 4.36Å; L16-Y105 HydrophobicContact CD2-CG 3.47Å; L16-Y105 VanDerWaalsContact CD2-CG 3.47Å; L16-Y105 HydrophobicContact CG-CD1 4.25Å; L16-Y105 HydrophobicContact CG-CE1 4.36Å; V48-Y105 HydrophobicContact CG1-CD1 4.3Å; K49-Y105 WeakPolarHBondContact O-CA 3.49Å; K50-Y105 HydrophobicContact CB-CD1 3.72Å; K50-Y105 HydrophobicContact CB-CE1 3.81Å; K50-Y105 HydrophobicContact CD-CD1 4.43Å; K50-Y105 HydrophobicContact CD-CE1 3.67Å; K50-Y105 HydrophobicContact CG-CD1 3.89Å; K50-Y105 HydrophobicContact CG-CE1 3.59Å; I83-Y105 WeakPolarHBondContact CA-O 3.4Å; L84-Y105 PolarHBondContact N-O 2.99Å; L84-Y105 PolarHBondContact O-N 2.94Å |
| 106 | I | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.3 | 172 | -56.8 | 175.5 | 0 | 0 | 0 | 106.9 | V48 K49 I51 E65 I69 V80 I83 | V48-I106 WeakPolarHBondContact CA-O 3.45Å; K49-I106 HydrophobicContact CB-CB 4.43Å; K49-I106 HydrophobicContact CD-CD1 4.47Å; K49-I106 PolarHBondContact N-O 2.96Å; K49-I106 PolarHBondContact O-N 2.73Å; I51-I106 HydrophobicContact CD1-CD1 3.57Å; I51-I106 HydrophobicContact CD1-CG1 4.37Å; I51-I106 HydrophobicContact CG1-CD1 4.38Å; E65-I106 WeakPolarHBondContact OE1-CD1 3.27Å; I69-I106 HydrophobicContact CD1-CD1 3.72Å; I69-I106 HydrophobicContact CD1-CG1 4.36Å; I69-I106 HydrophobicContact CD1-CG2 3.93Å; V80-I106 HydrophobicContact CG1-CG2 3.85Å; V80-I106 HydrophobicContact CG2-CG2 4.05Å; I83-I106 HydrophobicContact CD1-CB 4.4Å; I83-I106 HydrophobicContact CD1-CG1 4.11Å; I83-I106 HydrophobicContact CD1-CG2 4.09Å |
| 107 | V | 92.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.5 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | Y20 V46 V48 F81 E82 L84 | Y20-V107 HydrophobicContact CE1-CG1 3.87Å; Y20-V107 HydrophobicContact CE1-CG2 4.37Å; V46-V107 HydrophobicContact CB-CG1 3.96Å; V46-V107 HydrophobicContact CG1-CG1 4.27Å; V46-V107 HydrophobicContact CG2-CG1 3.91Å; V48-V107 HydrophobicContact CG1-CG2 4.36Å; V48-V107 HydrophobicContact CG2-CG2 4.37Å; F81-V107 HydrophobicContact CD2-CG1 4.45Å; F81-V107 PolarHBondContact N-O 2.9Å; E82-V107 HydrophobicContact CG-CB 3.77Å; E82-V107 HydrophobicContact CG-CG1 4.31Å; E82-V107 HydrophobicContact CG-CG2 4.02Å; E82-V107 PolarHBondContact N-O 3.29Å; E82-V107 PolarHBondContact O-N 2.85Å; L84-V107 HydrophobicContact CD1-CG2 3.7Å; L84-V107 HydrophobicContact CG-CG2 4.28Å |
| 108 | Q | 94.1 | Very high | 86.9 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 169.7 | -170.9 | 73.2 | -173 | 25.3 | 0 | 0 | 112 | A47 V78 K79 V80 F81 Y110 | A47-Q108 HydrophobicContact CB-CG 3.8Å; A47-Q108 PolarHBondContact N-O 3.45Å; A47-Q108 PolarHBondContact O-N 3.41Å; V78-Q108 HydrophobicContact CG1-CB 4.13Å; V78-Q108 HydrophobicContact CG1-CG 4.06Å; K79-Q108 CarbonylContact O-C 3.56Å; K79-Q108 WeakPolarHBondContact O-CA 3.36Å; V80-Q108 HydrophobicContact CG2-CB 4.15Å; F81-Q108 VanDerWaalsContact CE2-C 3.49Å; Q108-Y110 PolarHBondContact O-N 3.25Å |
| 109 | E | 93.8 | Very high | 88.5 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 130.5 | 174.1 | -171.7 | 169.9 | -154.5 | 0 | 0 | 111.6 | V78 K79 F81 M111 K168 | V78-E109 HydrophobicContact CG1-CB 4.17Å; K79-E109 HydrophobicContact CB-CB 4.34Å; K79-E109 PolarHBondContact N-OE2 3.41Å; K79-E109 WeakPolarHBondContact O-CB 3.44Å; K79-E109 PolarHBondContact O-N 2.9Å; F81-E109 HydrophobicContact CE2-CB 4.34Å; F81-E109 HydrophobicContact CZ-CB 4.07Å; E109-M111 HydrophobicContact CG-SD 4.25Å; E109-K168 WeakPolarHBondContact OE1-CE 3.28Å; E109-K168 IonicContact OE1-NZ 2.87Å; E109-K168 PolarHBondContact OE1-NZ 3.09Å; E109-K168 WeakPolarHBondContact OE2-CD 3.42Å; E109-K168 WeakPolarHBondContact OE2-CE 3.39Å; E109-K168 IonicContact OE2-NZ 3.76Å; E109-K168 PolarHBondContact OE2-NZ 3.09Å |
| 110 | Y | 94.1 | Very high | 90.1 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | trans | -81.6 | 125.3 | 172.9 | 175 | -109.5 | 0 | 0 | 0 | 109.5 | L26 R45 Q108 | L26-Y110 HydrophobicContact CD1-CD2 4.07Å; L26-Y110 HydrophobicContact CD1-CE2 3.9Å; L26-Y110 HydrophobicContact CD2-CE2 3.87Å; R45-Y110 HydrophobicContact CB-CD1 4.07Å; R45-Y110 HydrophobicContact CB-CG 4.23Å; R45-Y110 HydrophobicContact CG-CD1 3.77Å; R45-Y110 HydrophobicContact CG-CD2 4.09Å; R45-Y110 HydrophobicContact CG-CE1 4.29Å; R45-Y110 HydrophobicContact CG-CG 3.66Å; R45-Y110 VanDerWaalsContact O-CB 3.32Å; R45-Y110 WeakPolarHBondContact O-CB 3.43Å; Q108-Y110 PolarHBondContact O-N 3.25Å | ||
| 111 | M | 93.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | trans | -112.1 | 147.6 | 175.4 | -61.2 | -67.3 | -67.3 | 0 | 0 | 109.1 | E109 F159 N161 K168 | E109-M111 HydrophobicContact CG-SD 4.25Å; M111-F159 HydrophobicContact CB-CB 3.67Å; M111-F159 HydrophobicContact CB-CD1 4.23Å; M111-F159 HydrophobicContact CB-CG 4.23Å; M111-F159 HydrophobicContact CE-CB 3.91Å; M111-F159 HydrophobicContact CG-CB 3.6Å; M111-F159 HydrophobicContact CG-CG 4.23Å; M111-N161 HydrophobicContact CE-CB 4.3Å; M111-K168 HydrophobicContact CE-CB 4.09Å; M111-K168 HydrophobicContact CE-CD 4.07Å; M111-K168 HydrophobicContact CE-CG 3.79Å; M111-K168 HydrophobicContact SD-CD 3.89Å; M111-K168 HydrophobicContact SD-CG 4.28Å | ||
| 112 | E | 91.3 | Very high | 92.4 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -70.4 | -43.8 | -172.2 | -54 | -168.7 | 121.9 | 0 | 0 | 112.7 | I160 T162 | E112-I160 PolarHBondContact N-O 2.82Å; E112-T162 WeakPolarHBondContact OE2-CA 3.37Å; E112-T162 WeakPolarHBondContact OE2-CB 3.22Å; E112-T162 PolarHBondContact OE2-N 3.43Å; E112-T162 PolarHBondContact OE2-OG1 3.31Å |
| 113 | T | 93.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | -177.4 | -176.2 | -163.2 | 0 | 0 | 0 | 0 | 110.4 | N117 F159 I160 T162 | T113-N117 WeakPolarHBondContact OG1-CB 3.47Å; T113-F159 WeakPolarHBondContact O-CA 3.4Å; T113-I160 HydrophobicContact CG2-CB 4.05Å; T113-I160 PolarHBondContact N-O 3.27Å; T113-I160 PolarHBondContact O-N 3.42Å; T113-T162 HydrophobicContact CG2-CG2 3.83Å |
| 114 | D | 95.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 167.6 | 170.5 | 63 | 75.6 | 0 | 0 | 0 | 111 | A116 N117 L118 L158 F159 | D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.37Å; D114-A116 WeakPolarHBondContact OD1-CA 3.41Å; D114-A116 VanDerWaalsContact OD1-CB 3.27Å; D114-A116 WeakPolarHBondContact OD1-CB 3.38Å; D114-A116 PolarHBondContact OD1-N 3.44Å; D114-N117 PolarHBondContact O-N 3.49Å; D114-N117 PolarHBondContact OD1-N 3.03Å; D114-N117 PolarHBondContact OD2-ND2 3.18Å; D114-L118 PolarHBondContact O-N 3.27Å; D114-L158 CarbonylContact C-O 3.59Å; D114-L158 WeakPolarHBondContact CA-O 3.28Å; D114-F159 HydrophobicContact CB-CD1 4.12Å; D114-F159 HydrophobicContact CB-CE1 4.37Å |
| 115 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -25.7 | -176 | -177 | 63.6 | 0 | 0 | 0 | 112.5 | L118 L119 L124 P155 L158 I160 I221 M225 | L115-L118 HydrophobicContact CD1-CD2 4.3Å; L115-L118 PolarHBondContact O-N 3.3Å; L115-L119 HydrophobicContact CD1-CD1 3.98Å; L115-L119 HydrophobicContact CD1-CG 4.03Å; L115-L119 HydrophobicContact CD2-CD1 4.36Å; L115-L119 HydrophobicContact CG-CD1 3.71Å; L115-L119 HydrophobicContact CG-CG 4.23Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 WeakPolarHBondContact O-CG 3.36Å; L115-L119 PolarHBondContact O-N 2.87Å; L115-L124 HydrophobicContact CD1-CD1 4.18Å; L115-P155 HydrophobicContact CB-CB 3.94Å; L115-P155 WeakPolarHBondContact CB-O 3.2Å; L115-P155 HydrophobicContact CD2-CB 4.16Å; L115-P155 HydrophobicContact CG-CB 3.97Å; L115-P155 PolarHBondContact N-O 2.86Å; L115-L158 HydrophobicContact CB-CB 4.17Å; L115-L158 HydrophobicContact CD2-CB 4.47Å; L115-L158 HydrophobicContact CD2-CD1 4.06Å; L115-L158 PolarHBondContact N-O 3.02Å; L115-I160 HydrophobicContact CB-CD1 3.89Å; L115-I160 HydrophobicContact CD1-CD1 3.72Å; L115-I160 HydrophobicContact CG-CD1 4.39Å; L115-I221 HydrophobicContact CD2-CG2 3.59Å; L115-M225 HydrophobicContact CD1-CG 3.91Å; L115-M225 HydrophobicContact CD1-SD 3.76Å; L115-M225 HydrophobicContact CD2-CG 3.82Å; L115-M225 HydrophobicContact CD2-SD 3.67Å; L115-M225 HydrophobicContact CG-CG 4.34Å; L115-M225 HydrophobicContact CG-SD 4.36Å |
| 116 | A | 95.1 | Very high | 94.5 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.3 | -49.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D114 L118 L119 E120 P155 A156 | D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.37Å; D114-A116 WeakPolarHBondContact OD1-CA 3.41Å; D114-A116 VanDerWaalsContact OD1-CB 3.27Å; D114-A116 WeakPolarHBondContact OD1-CB 3.38Å; D114-A116 PolarHBondContact OD1-N 3.44Å; A116-L118 PolarHBondContact O-N 2.99Å; A116-L119 PolarHBondContact O-N 3.33Å; A116-E120 PolarHBondContact O-N 2.97Å; A116-P155 HydrophobicContact CB-CB 3.97Å; A116-A156 HydrophobicContact CB-CB 4.08Å |
| 117 | N | 94.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -27 | 175.2 | -83.3 | -63.8 | 0 | 0 | 0 | 113.2 | T113 D114 Q121 | T113-N117 WeakPolarHBondContact OG1-CB 3.47Å; D114-N117 PolarHBondContact O-N 3.49Å; D114-N117 PolarHBondContact OD1-N 3.03Å; D114-N117 PolarHBondContact OD2-ND2 3.18Å; N117-Q121 PolarHBondContact O-NE2 3.3Å |
| 118 | L | 95 | Very high | 95 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 171.3 | -172.7 | 62.2 | 0 | 0 | 0 | 111.8 | D114 L115 A116 E120 Q121 L124 F132 I160 | D114-L118 PolarHBondContact O-N 3.27Å; L115-L118 HydrophobicContact CD1-CD2 4.3Å; L115-L118 PolarHBondContact O-N 3.3Å; A116-L118 PolarHBondContact O-N 2.99Å; L118-E120 PolarHBondContact O-N 3.47Å; L118-Q121 VanDerWaalsContact O-CB 3.32Å; L118-Q121 WeakPolarHBondContact O-CB 3.18Å; L118-Q121 PolarHBondContact O-N 3.29Å; L118-Q121 VanDerWaalsContact O-N 3.16Å; L118-L124 HydrophobicContact CD2-CD1 4.35Å; L118-L124 HydrophobicContact CD2-CD2 3.79Å; L118-L124 HydrophobicContact CG-CD2 3.94Å; L118-F132 HydrophobicContact CD2-CE2 3.99Å; L118-I160 HydrophobicContact CB-CD1 4.46Å; L118-I160 HydrophobicContact CD2-CD1 3.62Å |
| 119 | L | 96.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.2 | -18.3 | -176 | -68.1 | 166.7 | 0 | 0 | 0 | 114.3 | L115 A116 Q121 G122 L124 P155 E224 M225 | L115-L119 HydrophobicContact CD1-CD1 3.98Å; L115-L119 HydrophobicContact CD1-CG 4.03Å; L115-L119 HydrophobicContact CD2-CD1 4.36Å; L115-L119 HydrophobicContact CG-CD1 3.71Å; L115-L119 HydrophobicContact CG-CG 4.23Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 WeakPolarHBondContact O-CG 3.36Å; L115-L119 PolarHBondContact O-N 2.87Å; A116-L119 PolarHBondContact O-N 3.33Å; L119-Q121 PolarHBondContact O-N 2.86Å; L119-Q121 VanDerWaalsContact O-N 3.11Å; L119-G122 PolarHBondContact O-N 3.05Å; L119-L124 HydrophobicContact CD2-CD2 4.35Å; L119-L124 HydrophobicContact CD2-CG 4.06Å; L119-P155 HydrophobicContact CD1-CB 4.28Å; L119-P155 HydrophobicContact CD1-CG 4.34Å; L119-E224 HydrophobicContact CD1-CG 4.05Å; L119-M225 HydrophobicContact CD1-CG 4.42Å; L119-M225 HydrophobicContact CD2-CG 4.45Å |
| 120 | E | 94.8 | Very high | 95.4 | Very high | 167 Ų | 167 | 56.5 Ų | 56.5 | 78% | 0.78 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.9 | 165.9 | -69.9 | -162.7 | 167.5 | 0 | 0 | 112.8 | A116 L118 | A116-E120 PolarHBondContact O-N 2.97Å; L118-E120 PolarHBondContact O-N 3.47Å |
| 121 | Q | 93.3 | Very high | 95.6 | Very high | 160 Ų | 160 | 54.4 Ų | 54.4 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -12.5 | 178.8 | -55.6 | 170.3 | 57.4 | 0 | 0 | 112.8 | N117 L118 L119 | N117-Q121 PolarHBondContact O-NE2 3.3Å; L118-Q121 VanDerWaalsContact O-CB 3.32Å; L118-Q121 WeakPolarHBondContact O-CB 3.18Å; L118-Q121 PolarHBondContact O-N 3.29Å; L118-Q121 VanDerWaalsContact O-N 3.16Å; L119-Q121 PolarHBondContact O-N 2.86Å; L119-Q121 VanDerWaalsContact O-N 3.11Å |
| 122 | G | 94.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | trans | 127.5 | -175.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L119 | L119-G122 PolarHBondContact O-N 3.05Š| ||
| 123 | P | 96.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 149.2 | 172.6 | 25.9 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 124 | L | 96.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 156.7 | 169.9 | -51.7 | -174.2 | 0 | 0 | 0 | 110.7 | L115 L118 L119 H128 A129 F132 M225 | L115-L124 HydrophobicContact CD1-CD1 4.18Å; L118-L124 HydrophobicContact CD2-CD1 4.35Å; L118-L124 HydrophobicContact CD2-CD2 3.79Å; L118-L124 HydrophobicContact CG-CD2 3.94Å; L119-L124 HydrophobicContact CD2-CD2 4.35Å; L119-L124 HydrophobicContact CD2-CG 4.06Å; L124-H128 HydrophobicContact CB-CB 4.49Å; L124-A129 HydrophobicContact CB-CB 4.32Å; L124-F132 HydrophobicContact CD1-CD2 3.61Å; L124-F132 HydrophobicContact CD1-CE2 3.84Å; L124-M225 HydrophobicContact CD1-CB 4.17Å; L124-M225 HydrophobicContact CD1-CG 4.06Å; L124-M225 HydrophobicContact CD1-SD 3.9Å; L124-M225 PolarHBondContact N-O 3.36Å |
| 125 | L | 96.2 | Very high | 96.6 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 145.2 | 163.7 | -64.7 | -173.9 | 0 | 0 | 0 | 110 | D127 H128 A129 F633 | L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 2.99Å; L125-H128 WeakPolarHBondContact O-CB 3.48Å; L125-H128 PolarHBondContact O-N 2.93Å; L125-A129 PolarHBondContact O-N 2.82Å; L125-F633 HydrophobicContact CD1-CD1 4Å; L125-F633 HydrophobicContact CD1-CE1 3.71Å; L125-F633 HydrophobicContact CG-CE1 4.27Å |
| 126 | E | 96.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.8 | -41.1 | -175.6 | -172.6 | 177.7 | 135.4 | 0 | 0 | 112.8 | H128 A129 R130 L226 S286 Y315 | E126-H128 VanDerWaalsContact C-N 3.32Å; E126-H128 PolarHBondContact O-N 3.28Å; E126-A129 PolarHBondContact O-N 2.88Å; E126-R130 WeakPolarHBondContact O-CB 3.36Å; E126-R130 PolarHBondContact O-N 3.41Å; E126-R130 IonicContact OE1-CZ 3.61Å; E126-R130 IonicContact OE1-NH2 3.82Å; E126-R130 PolarHBondContact OE1-NH2 2.74Å; E126-L226 HydrophobicContact CB-CD2 4.06Å; E126-L226 HydrophobicContact CG-CD2 3.89Å; E126-S286 WeakPolarHBondContact OE1-CB 3.5Å; E126-S286 PolarHBondContact OE1-OG 2.75Å; E126-S286 VanDerWaalsContact OE2-CB 3.32Å; E126-S286 WeakPolarHBondContact OE2-CB 3.42Å; E126-S286 PolarHBondContact OE2-OG 3.35Å; E126-S286 VanDerWaalsContact OE2-OG 3.13Å; E126-Y315 VanDerWaalsContact CG-OH 3.26Å; E126-Y315 WeakPolarHBondContact CG-OH 3.18Å; E126-Y315 WeakPolarHBondContact OE1-CE2 3.41Å; E126-Y315 PolarHBondContact OE1-OH 2.88Å |
| 127 | D | 96.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -35 | 177.6 | -65.2 | -41.8 | 0 | 0 | 0 | 112.7 | L125 R130 L131 Y319 | L125-D127 VanDerWaalsContact C-N 3.29Å; L125-D127 PolarHBondContact O-N 2.99Å; D127-R130 IonicContact OD1-CZ 2.86Å; D127-R130 IonicContact OD1-NH1 2.92Å; D127-R130 PolarHBondContact OD1-NH1 3.44Å; D127-R130 IonicContact OD1-NH2 3.83Å; D127-L131 WeakPolarHBondContact O-CB 3.36Å; D127-L131 PolarHBondContact O-N 2.97Å; D127-Y319 PolarHBondContact O-OH 3.15Å |
| 128 | H | 97.1 | Very high | 97 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 28% | 0.282 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.4 | -42.7 | 174.3 | -60.7 | 160.8 | 0 | 0 | 0 | 111.6 | L124 L125 E126 R130 L131 F132 | L124-H128 HydrophobicContact CB-CB 4.49Å; L125-H128 WeakPolarHBondContact O-CB 3.48Å; L125-H128 PolarHBondContact O-N 2.93Å; E126-H128 VanDerWaalsContact C-N 3.32Å; E126-H128 PolarHBondContact O-N 3.28Å; H128-R130 VanDerWaalsContact C-N 3.3Å; H128-R130 PolarHBondContact O-N 3.26Å; H128-L131 PolarHBondContact O-N 2.92Å; H128-F132 WeakPolarHBondContact O-CD2 3.33Å; H128-F132 WeakPolarHBondContact O-CG 3.49Å; H128-F132 PolarHBondContact O-N 2.91Å |
| 129 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L124 L125 E126 M133 F222 M225 L226 | L124-A129 HydrophobicContact CB-CB 4.32Å; L125-A129 PolarHBondContact O-N 2.82Å; E126-A129 PolarHBondContact O-N 2.88Å; A129-M133 WeakPolarHBondContact O-CB 3.07Å; A129-M133 PolarHBondContact O-N 3.47Å; A129-F222 HydrophobicContact CB-CD2 4.39Å; A129-F222 HydrophobicContact CB-CE2 4.04Å; A129-M225 HydrophobicContact CB-CB 3.89Å; A129-M225 WeakPolarHBondContact O-CE 3.32Å; A129-L226 HydrophobicContact CB-CD2 3.53Å; A129-L226 HydrophobicContact CB-CG 4.1Å |
| 130 | R | 98.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 174.3 | -167.6 | -173.8 | -59.7 | 137.4 | 2.3 | 111.2 | E126 D127 H128 M133 Y134 Y315 M316 Y319 | E126-R130 WeakPolarHBondContact O-CB 3.36Å; E126-R130 PolarHBondContact O-N 3.41Å; E126-R130 IonicContact OE1-CZ 3.61Å; E126-R130 IonicContact OE1-NH2 3.82Å; E126-R130 PolarHBondContact OE1-NH2 2.74Å; D127-R130 IonicContact OD1-CZ 2.86Å; D127-R130 IonicContact OD1-NH1 2.92Å; D127-R130 PolarHBondContact OD1-NH1 3.44Å; D127-R130 IonicContact OD1-NH2 3.83Å; H128-R130 VanDerWaalsContact C-N 3.3Å; H128-R130 PolarHBondContact O-N 3.26Å; R130-M133 PolarHBondContact O-N 3.4Å; R130-Y134 WeakPolarHBondContact O-CB 3.5Å; R130-Y134 PolarHBondContact O-N 2.93Å; R130-Y315 HydrophobicContact CB-CE1 4.2Å; R130-Y315 WeakPolarHBondContact CD-O 3.25Å; R130-Y315 HydrophobicContact CG-CD1 4.29Å; R130-Y315 HydrophobicContact CG-CE1 3.62Å; R130-Y315 PolarHBondContact NE-OH 2.96Å; R130-Y315 VanDerWaalsContact NE-OH 3.13Å; R130-M316 HydrophobicContact CG-SD 4.03Å; R130-Y319 HydrophobicContact CB-CE2 4.18Å; R130-Y319 HydrophobicContact CG-CD2 4.21Å; R130-Y319 HydrophobicContact CG-CE2 3.95Å |
| 131 | L | 98.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.1 | 176.9 | 60.3 | 0 | 0 | 0 | 112.3 | D127 H128 Q135 L165 Y319 | D127-L131 WeakPolarHBondContact O-CB 3.36Å; D127-L131 PolarHBondContact O-N 2.97Å; H128-L131 PolarHBondContact O-N 2.92Å; L131-Q135 WeakPolarHBondContact O-CG 3.43Å; L131-Q135 PolarHBondContact O-N 2.69Å; L131-L165 HydrophobicContact CD2-CB 4.25Å; L131-L165 HydrophobicContact CD2-CD1 4.47Å; L131-Y319 HydrophobicContact CB-CE2 3.89Å; L131-Y319 HydrophobicContact CD1-CD1 4.32Å; L131-Y319 HydrophobicContact CD1-CE1 4.03Å; L131-Y319 HydrophobicContact CD1-CE2 4.35Å |
| 132 | F | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.3 | -36.1 | 176.6 | -71.1 | -30 | 0 | 0 | 0 | 112.4 | L118 L124 H128 Q135 L136 I160 L165 L167 M225 | L118-F132 HydrophobicContact CD2-CE2 3.99Å; L124-F132 HydrophobicContact CD1-CD2 3.61Å; L124-F132 HydrophobicContact CD1-CE2 3.84Å; H128-F132 WeakPolarHBondContact O-CD2 3.33Å; H128-F132 WeakPolarHBondContact O-CG 3.49Å; H128-F132 PolarHBondContact O-N 2.91Å; F132-Q135 PolarHBondContact O-N 3.45Å; F132-L136 WeakPolarHBondContact O-CB 3.17Å; F132-L136 PolarHBondContact O-N 3.3Å; F132-I160 HydrophobicContact CD2-CD1 4.46Å; F132-I160 HydrophobicContact CE1-CG2 4.28Å; F132-I160 HydrophobicContact CE2-CD1 4.04Å; F132-I160 HydrophobicContact CZ-CD1 4.12Å; F132-I160 HydrophobicContact CZ-CG2 3.96Å; F132-L165 WeakPolarHBondContact CE1-O 3.28Å; F132-L165 HydrophobicContact CZ-CD2 4.43Å; F132-L167 HydrophobicContact CB-CD1 3.77Å; F132-L167 HydrophobicContact CD1-CB 3.85Å; F132-L167 HydrophobicContact CD1-CD1 4.25Å; F132-L167 HydrophobicContact CE1-CB 4.45Å; F132-L167 HydrophobicContact CG-CD1 4.11Å; F132-M225 HydrophobicContact CB-CE 4.05Å; F132-M225 HydrophobicContact CB-SD 3.78Å; F132-M225 HydrophobicContact CD2-SD 4.15Å; F132-M225 HydrophobicContact CG-SD 4.48Å |
| 133 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 174 | -176.2 | 57.1 | 168.9 | 0 | 0 | 111.9 | A129 R130 Q135 L136 L137 A218 F222 M225 F292 I296 M316 | A129-M133 WeakPolarHBondContact O-CB 3.07Å; A129-M133 PolarHBondContact O-N 3.47Å; R130-M133 PolarHBondContact O-N 3.4Å; M133-Q135 PolarHBondContact O-N 3.21Å; M133-L136 PolarHBondContact O-N 2.85Å; M133-L136 HydrophobicContact SD-CD2 4.02Å; M133-L137 HydrophobicContact CE-CD1 4.23Å; M133-L137 HydrophobicContact CE-CD2 4.1Å; M133-L137 HydrophobicContact CE-CG 4.22Å; M133-L137 HydrophobicContact CG-CD1 4.05Å; M133-L137 HydrophobicContact CG-CG 4.46Å; M133-L137 WeakPolarHBondContact O-CB 3.37Å; M133-L137 WeakPolarHBondContact O-CD1 3.14Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.08Å; M133-L137 HydrophobicContact SD-CD1 4.4Å; M133-L137 HydrophobicContact SD-CG 4.24Å; M133-A218 HydrophobicContact CE-CB 3.99Å; M133-A218 HydrophobicContact SD-CB 4.3Å; M133-F222 HydrophobicContact CB-CD2 3.64Å; M133-F222 HydrophobicContact CB-CE2 4.14Å; M133-F222 HydrophobicContact CB-CG 4.15Å; M133-F222 HydrophobicContact CE-CB 4.03Å; M133-F222 HydrophobicContact CE-CG 4.47Å; M133-F222 HydrophobicContact CG-CB 4.07Å; M133-F222 HydrophobicContact CG-CD1 4.42Å; M133-F222 HydrophobicContact CG-CD2 3.87Å; M133-F222 HydrophobicContact CG-CE2 4.48Å; M133-F222 HydrophobicContact CG-CG 3.85Å; M133-F222 HydrophobicContact SD-CB 3.83Å; M133-F222 HydrophobicContact SD-CG 4.29Å; M133-M225 HydrophobicContact CB-CE 4.12Å; M133-F292 HydrophobicContact CE-CE1 3.79Å; M133-F292 HydrophobicContact CE-CZ 4.07Å; M133-F292 HydrophobicContact CG-CE1 4Å; M133-I296 HydrophobicContact CE-CD1 3.84Å; M133-M316 HydrophobicContact CB-CE 3.86Å; M133-M316 HydrophobicContact CG-CE 3.47Å; M133-M316 VanDerWaalsContact CG-CE 3.47Å |
| 134 | Y | 98.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.7 | -48.4 | 170.2 | 167.8 | -103.2 | 0 | 0 | 0 | 111.7 | R130 L136 L137 R138 L311 Y319 | R130-Y134 WeakPolarHBondContact O-CB 3.5Å; R130-Y134 PolarHBondContact O-N 2.93Å; Y134-L136 PolarHBondContact O-N 3.1Å; Y134-L137 PolarHBondContact O-N 3.36Å; Y134-R138 WeakPolarHBondContact O-CB 3.39Å; Y134-R138 PolarHBondContact O-N 3.49Å; Y134-L311 HydrophobicContact CD2-CD2 3.45Å; Y134-L311 VanDerWaalsContact CD2-CD2 3.45Å; Y134-L311 HydrophobicContact CE2-CD2 3.54Å; Y134-Y319 HydrophobicContact CD1-CG 4.35Å; Y134-Y319 HydrophobicContact CG-CD2 4.39Å; Y134-Y319 HydrophobicContact CG-CG 4.26Å; Y134-Y319 PolarHBondContact OH-O 3.14Å |
| 135 | Q | 98.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.9 | -75.7 | -176.1 | 79.5 | 0 | 0 | 113.1 | N76 L131 F132 M133 G139 L165 L167 | N76-Q135 WeakPolarHBondContact CB-O 3.31Å; N76-Q135 WeakPolarHBondContact ND2-CB 3.43Å; N76-Q135 WeakPolarHBondContact ND2-CG 3.31Å; N76-Q135 PolarHBondContact ND2-OE1 3.07Å; L131-Q135 WeakPolarHBondContact O-CG 3.43Å; L131-Q135 PolarHBondContact O-N 2.69Å; F132-Q135 PolarHBondContact O-N 3.45Å; M133-Q135 PolarHBondContact O-N 3.21Å; Q135-G139 PolarHBondContact O-N 3.16Å; Q135-L165 PolarHBondContact NE2-O 3.12Å; Q135-L167 HydrophobicContact CB-CB 4.11Å; Q135-L167 HydrophobicContact CB-CD2 4.47Å |
| 136 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 173.2 | 176.7 | 57.2 | 0 | 0 | 0 | 111 | F132 M133 Y134 G139 L140 L158 L167 I169 A218 I221 | F132-L136 WeakPolarHBondContact O-CB 3.17Å; F132-L136 PolarHBondContact O-N 3.3Å; M133-L136 PolarHBondContact O-N 2.85Å; M133-L136 HydrophobicContact SD-CD2 4.02Å; Y134-L136 PolarHBondContact O-N 3.1Å; L136-G139 PolarHBondContact O-N 3.4Å; L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.22Å; L136-L140 HydrophobicContact CG-CD1 4.08Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 2.73Å; L136-L158 HydrophobicContact CD1-CD1 4Å; L136-L158 HydrophobicContact CD1-CD2 3.76Å; L136-L158 HydrophobicContact CD2-CD1 3.87Å; L136-L167 HydrophobicContact CB-CD2 4.18Å; L136-I169 HydrophobicContact CD1-CD1 3.9Å; L136-I169 HydrophobicContact CD1-CG1 3.91Å; L136-A218 HydrophobicContact CD2-CB 3.71Å; L136-A218 HydrophobicContact CG-CB 4.26Å; L136-I221 HydrophobicContact CD2-CG2 4.5Å |
| 137 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.7 | -67 | 164.6 | 0 | 0 | 0 | 112.7 | M133 Y134 G139 L140 K141 M215 F292 A310 L311 M316 | M133-L137 HydrophobicContact CE-CD1 4.23Å; M133-L137 HydrophobicContact CE-CD2 4.1Å; M133-L137 HydrophobicContact CE-CG 4.22Å; M133-L137 HydrophobicContact CG-CD1 4.05Å; M133-L137 HydrophobicContact CG-CG 4.46Å; M133-L137 WeakPolarHBondContact O-CB 3.37Å; M133-L137 WeakPolarHBondContact O-CD1 3.14Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.08Å; M133-L137 HydrophobicContact SD-CD1 4.4Å; M133-L137 HydrophobicContact SD-CG 4.24Å; Y134-L137 PolarHBondContact O-N 3.36Å; L137-G139 VanDerWaalsContact C-N 3.32Å; L137-G139 PolarHBondContact O-N 3.15Å; L137-L140 PolarHBondContact O-N 3.19Å; L137-L140 VanDerWaalsContact O-N 3.15Å; L137-K141 WeakPolarHBondContact O-CB 3.38Å; L137-K141 PolarHBondContact O-N 3.29Å; L137-M215 HydrophobicContact CD2-CE 3.56Å; L137-M215 HydrophobicContact CD2-SD 4.23Å; L137-F292 HydrophobicContact CD1-CZ 3.83Å; L137-A310 HydrophobicContact CD1-CB 4.13Å; L137-A310 HydrophobicContact CD2-CB 3.79Å; L137-L311 HydrophobicContact CB-CD1 4.36Å; L137-L311 HydrophobicContact CB-CD2 3.75Å; L137-L311 HydrophobicContact CB-CG 3.83Å; L137-M316 HydrophobicContact CD1-CE 3.87Å; L137-M316 HydrophobicContact CD1-CG 4.38Å |
| 138 | R | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 14 Ų | 14 | 6% | 0.057 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.6 | -170.4 | -177.4 | 173.9 | -100.5 | 3.4 | 110.6 | H74 D75 N76 Y134 K141 Y142 D324 | H74-R138 PolarHBondContact NE2-NH1 3.17Å; D75-R138 IonicContact OD2-CZ 2.63Å; D75-R138 VanDerWaalsContact OD2-CZ 3.31Å; D75-R138 IonicContact OD2-NH1 3.22Å; D75-R138 PolarHBondContact OD2-NH1 3.11Å; D75-R138 IonicContact OD2-NH2 2.63Å; D75-R138 PolarHBondContact OD2-NH2 3.44Å; N76-R138 WeakPolarHBondContact OD1-CD 3.46Å; N76-R138 PolarHBondContact OD1-NH1 3.12Å; Y134-R138 WeakPolarHBondContact O-CB 3.39Å; Y134-R138 PolarHBondContact O-N 3.49Å; R138-K141 PolarHBondContact O-N 2.93Å; R138-Y142 PolarHBondContact O-N 2.59Å; R138-D324 IonicContact CZ-OD1 3.92Å; R138-D324 PolarHBondContact NE-O 3.46Å; R138-D324 PolarHBondContact NH2-O 3.47Å; R138-D324 IonicContact NH2-OD1 3.83Å; R138-D324 PolarHBondContact NH2-OD1 3.27Å; R138-D324 IonicContact NH2-OD2 3.92Å |
| 139 | G | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q135 L136 L137 Y142 I143 | Q135-G139 PolarHBondContact O-N 3.16Å; L136-G139 PolarHBondContact O-N 3.4Å; L137-G139 VanDerWaalsContact C-N 3.32Å; L137-G139 PolarHBondContact O-N 3.15Å; G139-Y142 PolarHBondContact O-N 2.77Å; G139-I143 VanDerWaalsContact O-CG1 3.28Å; G139-I143 WeakPolarHBondContact O-CG1 3.21Å; G139-I143 PolarHBondContact O-N 3.18Å |
| 140 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | 178.8 | -69.6 | 173.5 | 0 | 0 | 0 | 113 | L136 L137 Y142 I143 H144 L153 I169 D214 M215 A218 A307 | L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.22Å; L136-L140 HydrophobicContact CG-CD1 4.08Å; L136-L140 VanDerWaalsContact O-CG 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 2.73Å; L137-L140 PolarHBondContact O-N 3.19Å; L137-L140 VanDerWaalsContact O-N 3.15Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.11Å; L140-I143 HydrophobicContact CD2-CD1 4.39Å; L140-I143 PolarHBondContact O-N 3.01Å; L140-H144 VanDerWaalsContact O-CB 3.22Å; L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 VanDerWaalsContact O-CG 3.24Å; L140-H144 PolarHBondContact O-N 3.02Å; L140-L153 HydrophobicContact CD1-CD1 4.07Å; L140-L153 HydrophobicContact CD2-CD1 3.76Å; L140-L153 HydrophobicContact CD2-CD2 4.49Å; L140-I169 HydrophobicContact CD2-CD1 4.12Å; L140-I169 HydrophobicContact CG-CD1 4.13Å; L140-D214 HydrophobicContact CD2-CB 4.31Å; L140-M215 HydrophobicContact CD1-SD 4.38Å; L140-A218 HydrophobicContact CD1-CB 4Å; L140-A307 HydrophobicContact CB-CB 4.19Å |
| 141 | K | 98.3 | Very high | 96.5 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 6% | 0.057 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 171.5 | -174.4 | -174.8 | -174 | 172.2 | 0 | 110.9 | L137 R138 S145 A307 E308 L311 E325 I327 | L137-K141 WeakPolarHBondContact O-CB 3.38Å; L137-K141 PolarHBondContact O-N 3.29Å; R138-K141 PolarHBondContact O-N 2.93Å; K141-S145 VanDerWaalsContact O-CB 3.32Å; K141-S145 WeakPolarHBondContact O-CB 3.22Å; K141-S145 PolarHBondContact O-N 3.41Å; K141-S145 PolarHBondContact O-OG 3.15Å; K141-A307 HydrophobicContact CB-CB 4.07Å; K141-E308 WeakPolarHBondContact CE-OE1 3.27Å; K141-E308 IonicContact NZ-OE1 2.91Å; K141-E308 PolarHBondContact NZ-OE1 3.38Å; K141-L311 HydrophobicContact CB-CD1 4.1Å; K141-L311 HydrophobicContact CD-CD1 3.79Å; K141-L311 HydrophobicContact CG-CD1 4.48Å; K141-E325 HydrophobicContact CD-CB 4Å; K141-E325 WeakPolarHBondContact CE-O 3.47Å; K141-E325 PolarHBondContact NZ-O 2.92Å; K141-E325 IonicContact NZ-OE2 2.74Å; K141-E325 PolarHBondContact NZ-OE2 2.78Å; K141-I327 HydrophobicContact CG-CG2 4.38Å |
| 142 | Y | 98.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 10.4 Ų | 10.4 | 10% | 0.098 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | 176 | -172.8 | -83.8 | 0 | 0 | 0 | 112.5 | L72 D73 H74 I77 R138 G139 L140 H144 S145 A146 | L72-Y142 HydrophobicContact CB-CE1 4.29Å; L72-Y142 HydrophobicContact CD2-CD1 4.09Å; L72-Y142 HydrophobicContact CD2-CE1 3.71Å; D73-Y142 PolarHBondContact N-OH 3.02Å; D73-Y142 VanDerWaalsContact O-CZ 3.3Å; D73-Y142 PolarHBondContact O-OH 2.76Å; D73-Y142 VanDerWaalsContact O-OH 3.07Å; H74-Y142 HydrophobicContact CB-CD1 3.88Å; H74-Y142 HydrophobicContact CB-CD2 4.06Å; H74-Y142 HydrophobicContact CB-CE1 4.09Å; H74-Y142 HydrophobicContact CB-CE2 4.25Å; H74-Y142 HydrophobicContact CB-CG 3.85Å; H74-Y142 AromaticContact CD2-CD2 3.79Å; H74-Y142 AromaticContact CD2-CG 3.96Å; H74-Y142 AromaticContact CG-CG 3.88Å; I77-Y142 HydrophobicContact CD1-CD1 3.72Å; I77-Y142 HydrophobicContact CD1-CE1 4.26Å; R138-Y142 PolarHBondContact O-N 2.59Å; G139-Y142 PolarHBondContact O-N 2.77Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.11Å; Y142-H144 PolarHBondContact O-N 3.36Å; Y142-S145 WeakPolarHBondContact CA-OG 3.07Å; Y142-S145 PolarHBondContact O-OG 2.87Å; Y142-A146 PolarHBondContact O-N 3.48Å; Y142-A146 VanDerWaalsContact O-N 3.08Å |
| 143 | I | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 179.3 | -66.9 | 165.2 | 0 | 0 | 0 | 111.5 | L72 I77 G139 L140 A146 V148 I169 F172 | L72-I143 HydrophobicContact CD1-CG1 4.4Å; I77-I143 HydrophobicContact CD1-CD1 3.99Å; I77-I143 HydrophobicContact CD1-CG1 3.61Å; I77-I143 HydrophobicContact CG1-CD1 4.3Å; I77-I143 HydrophobicContact CG1-CG1 4.43Å; G139-I143 VanDerWaalsContact O-CG1 3.28Å; G139-I143 WeakPolarHBondContact O-CG1 3.21Å; G139-I143 PolarHBondContact O-N 3.18Å; L140-I143 HydrophobicContact CD2-CD1 4.39Å; L140-I143 PolarHBondContact O-N 3.01Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 2.62Å; I143-V148 HydrophobicContact CG2-CB 3.88Å; I143-V148 HydrophobicContact CG2-CG1 3.91Å; I143-V148 PolarHBondContact O-N 3.36Å; I143-I169 HydrophobicContact CD1-CB 4.42Å; I143-I169 HydrophobicContact CD1-CD1 3.65Å; I143-I169 HydrophobicContact CD1-CG2 4.14Å; I143-F172 HydrophobicContact CD1-CE1 3.93Å; I143-F172 HydrophobicContact CD1-CZ 3.82Å; I143-F172 HydrophobicContact CG1-CE1 4.26Å; I143-F172 HydrophobicContact CG1-CZ 4.37Å |
| 144 | H | 96.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 12 Ų | 12 | 5% | 0.051 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -75.3 | -33.5 | -177.7 | -69.8 | 178.5 | 0 | 0 | 0 | 112.8 | L140 Y142 A146 N147 V148 K211 D214 | L140-H144 VanDerWaalsContact O-CB 3.22Å; L140-H144 WeakPolarHBondContact O-CB 3.49Å; L140-H144 VanDerWaalsContact O-CG 3.24Å; L140-H144 PolarHBondContact O-N 3.02Å; Y142-H144 PolarHBondContact O-N 3.36Å; H144-A146 VanDerWaalsContact C-N 3.29Å; H144-N147 PolarHBondContact O-N 3.46Å; H144-V148 PolarHBondContact CD2-O 3.49Å; H144-K211 HydrophobicContact CB-CD 4.05Å; H144-K211 HydrophobicContact CB-CG 4.03Å; H144-K211 PolarHBondContact CE1-O 2.97Å; H144-K211 WeakPolarHBondContact O-CE 3.46Å; H144-K211 PolarHBondContact O-NZ 3.31Å; H144-D214 IonicContact CD2-OD2 3.48Å; H144-D214 IonicContact CE1-OD2 2.75Å; H144-D214 IonicContact NE2-OD2 3.71Å; H144-D214 PolarHBondContact NE2-OD2 3.1Å |
| 145 | S | 95.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 11.1 Ų | 11.1 | 22% | 0.224 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.2 | -27.3 | 169.9 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | K141 Y142 N147 I327 S328 | K141-S145 VanDerWaalsContact O-CB 3.32Å; K141-S145 WeakPolarHBondContact O-CB 3.22Å; K141-S145 PolarHBondContact O-N 3.41Å; K141-S145 PolarHBondContact O-OG 3.15Å; Y142-S145 WeakPolarHBondContact CA-OG 3.07Å; Y142-S145 PolarHBondContact O-OG 2.87Å; S145-N147 PolarHBondContact O-N 2.81Å; S145-I327 WeakPolarHBondContact OG-CA 3.34Å; S145-I327 WeakPolarHBondContact OG-CB 3.48Å; S145-S328 PolarHBondContact OG-N 2.86Å |
| 146 | A | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 0.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L72 Y142 I143 H144 V148 P331 F332 | L72-A146 HydrophobicContact CD2-CB 3.89Å; Y142-A146 PolarHBondContact O-N 3.48Å; Y142-A146 VanDerWaalsContact O-N 3.08Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 2.62Å; H144-A146 VanDerWaalsContact C-N 3.29Å; A146-V148 VanDerWaalsContact C-N 3.25Å; A146-V148 HydrophobicContact CB-CG2 4.29Å; A146-V148 PolarHBondContact O-N 2.75Å; A146-P331 WeakPolarHBondContact O-CA 3.46Å; A146-F332 HydrophobicContact CB-CD2 4.41Å; A146-F332 WeakPolarHBondContact O-CD2 3.28Å; A146-F332 PolarHBondContact O-N 3.23Å |
| 147 | N | 92.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 12.8 Ų | 12.8 | 12% | 0.118 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.6 | -168.9 | -75.7 | -24.7 | 0 | 0 | 0 | 113.3 | H144 S145 I177 M178 K211 | H144-N147 PolarHBondContact O-N 3.46Å; S145-N147 PolarHBondContact O-N 2.81Å; N147-I177 CarbonylContact O-C 3.56Å; N147-I177 WeakPolarHBondContact O-CA 3.44Å; N147-M178 HydrophobicContact CB-CB 4.5Å; N147-M178 PolarHBondContact O-N 2.81Å; N147-K211 WeakPolarHBondContact OD1-CE 3.42Å; N147-K211 PolarHBondContact OD1-NZ 3.38Å |
| 148 | V | 92.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.8 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | I68 I143 H144 A146 A175 R176 F332 | I68-V148 HydrophobicContact CD1-CG1 4.13Å; I68-V148 HydrophobicContact CG1-CG2 4.44Å; I68-V148 HydrophobicContact CG2-CG1 4.05Å; I68-V148 HydrophobicContact CG2-CG2 4.41Å; I143-V148 HydrophobicContact CG2-CB 3.88Å; I143-V148 HydrophobicContact CG2-CG1 3.91Å; I143-V148 PolarHBondContact O-N 3.36Å; H144-V148 PolarHBondContact CD2-O 3.49Å; A146-V148 VanDerWaalsContact C-N 3.25Å; A146-V148 HydrophobicContact CB-CG2 4.29Å; A146-V148 PolarHBondContact O-N 2.75Å; V148-A175 HydrophobicContact CG1-CB 4.19Å; V148-R176 CarbonylContact C-O 3.56Å; V148-R176 WeakPolarHBondContact CA-O 3.47Å; V148-F332 HydrophobicContact CG2-CD2 3.48Å; V148-F332 VanDerWaalsContact CG2-CD2 3.48Å; V148-F332 HydrophobicContact CG2-CE2 3.82Å; V148-F332 HydrophobicContact CG2-CG 4.2Å |
| 149 | L | 92.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.8 | 169.1 | -57 | -179.4 | 0 | 0 | 0 | 109.1 | R151 A175 R176 M178 K211 I213 D214 | L149-R151 HydrophobicContact CB-CG 3.98Å; L149-A175 CarbonylContact O-C 3.53Å; L149-A175 WeakPolarHBondContact O-CA 3.45Å; L149-A175 WeakPolarHBondContact O-CB 3.5Å; L149-R176 PolarHBondContact N-O 3.47Å; L149-R176 PolarHBondContact O-N 2.77Å; L149-M178 HydrophobicContact CD1-CB 4.45Å; L149-M178 HydrophobicContact CD1-CG 4.18Å; L149-M178 HydrophobicContact CD1-SD 4.43Å; L149-M178 HydrophobicContact CD2-SD 4.2Å; L149-M178 HydrophobicContact CG-CB 4.26Å; L149-M178 HydrophobicContact CG-CG 4.43Å; L149-K211 HydrophobicContact CD2-CB 4.33Å; L149-K211 HydrophobicContact CD2-CG 3.94Å; L149-I213 HydrophobicContact CD1-CD1 4.47Å; L149-D214 WeakPolarHBondContact CA-OD2 3.49Å |
| 150 | H | 93.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -77.2 | -40.6 | -177.3 | -166 | -86.9 | 0 | 0 | 0 | 112.4 | D152 L153 G170 F172 D214 | H150-D152 PolarHBondContact CE1-O 3.36Å; H150-D152 PolarHBondContact ND1-O 2.88Å; H150-D152 PolarHBondContact O-N 3.02Å; H150-L153 HydrophobicContact CB-CD1 4.41Å; H150-L153 HydrophobicContact CB-CD2 4.1Å; H150-L153 HydrophobicContact CB-CG 3.94Å; H150-L153 WeakPolarHBondContact ND1-CD2 2.94Å; H150-L153 PolarHBondContact ND1-N 2.84Å; H150-G170 PolarHBondContact CE1-O 2.92Å; H150-G170 PolarHBondContact NE2-O 2.88Å; H150-F172 AromaticContact CD2-CD1 3.78Å; H150-F172 AromaticContact CD2-CE1 3.67Å; H150-D214 PolarHBondContact N-OD1 2.78Å; H150-D214 PolarHBondContact N-OD2 2.62Å | ||
| 151 | R | 90.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 16 Ų | 16 | 16% | 0.155 | 8% | 0.084 | C | C | . | . | trans | 64.7 | -15 | 173.9 | -60.7 | 167.6 | 72.3 | -116.4 | 7.2 | 116.7 | L149 L174 L188 Y209 I213 D214 | L149-R151 HydrophobicContact CB-CG 3.98Å; R151-L174 WeakPolarHBondContact CD-O 3.24Å; R151-L174 PolarHBondContact NH1-O 3.39Å; R151-L188 VanDerWaalsContact NH2-CD2 3.3Å; R151-Y209 HydrophobicContact CG-CD1 4.47Å; R151-Y209 VanDerWaalsContact NE-CE1 3.26Å; R151-Y209 PolarHBondContact NH2-OH 3.33Å; R151-I213 HydrophobicContact CG-CD1 4.01Å; R151-D214 PolarHBondContact N-OD1 3.1Å | ||
| 152 | D | 90.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 7% | 0.07 | 10% | 0.102 | C | C | . | . | trans | -134.8 | 50.2 | 177.5 | -171.2 | 37.2 | 0 | 0 | 0 | 112 | H150 K154 N157 L174 | H150-D152 PolarHBondContact CE1-O 3.36Å; H150-D152 PolarHBondContact ND1-O 2.88Å; H150-D152 PolarHBondContact O-N 3.02Å; D152-K154 VanDerWaalsContact CG-NZ 3.29Å; D152-K154 IonicContact OD1-NZ 2.91Å; D152-K154 PolarHBondContact OD1-NZ 2.76Å; D152-K154 IonicContact OD2-NZ 2.72Å; D152-K154 PolarHBondContact OD2-NZ 3.33Å; D152-N157 PolarHBondContact O-ND2 3.44Å; D152-N157 PolarHBondContact OD2-ND2 3.32Å; D152-L174 HydrophobicContact CB-CB 4.06Å; D152-L174 HydrophobicContact CB-CD1 3.86Å; D152-L174 HydrophobicContact CB-CG 4.47Å | ||
| 153 | L | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | trans | -75.5 | 127.5 | 170.7 | -69.1 | 170.5 | 0 | 0 | 0 | 110.2 | L140 H150 L158 I169 Y197 D214 A217 I221 | L140-L153 HydrophobicContact CD1-CD1 4.07Å; L140-L153 HydrophobicContact CD2-CD1 3.76Å; L140-L153 HydrophobicContact CD2-CD2 4.49Å; H150-L153 HydrophobicContact CB-CD1 4.41Å; H150-L153 HydrophobicContact CB-CD2 4.1Å; H150-L153 HydrophobicContact CB-CG 3.94Å; H150-L153 WeakPolarHBondContact ND1-CD2 2.94Å; H150-L153 PolarHBondContact ND1-N 2.84Å; L153-L158 HydrophobicContact CD2-CD2 4.28Å; L153-I169 HydrophobicContact CD2-CG2 3.96Å; L153-Y197 WeakPolarHBondContact O-CB 3.37Å; L153-D214 HydrophobicContact CD1-CB 3.61Å; L153-A217 HydrophobicContact CB-CB 3.75Å; L153-A217 HydrophobicContact CD1-CB 4.39Å; L153-I221 HydrophobicContact CB-CD1 4.23Å | ||
| 154 | K | 95.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 31 Ų | 31 | 15% | 0.148 | 16% | 0.164 | C | C | . | . | trans | -162.1 | 159.9 | 178.1 | 65.1 | -161.8 | -175.6 | -130.5 | 0 | 108.5 | D152 A156 N157 Y197 | D152-K154 VanDerWaalsContact CG-NZ 3.29Å; D152-K154 IonicContact OD1-NZ 2.91Å; D152-K154 PolarHBondContact OD1-NZ 2.76Å; D152-K154 IonicContact OD2-NZ 2.72Å; D152-K154 PolarHBondContact OD2-NZ 3.33Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 HydrophobicContact CG-CB 4.46Å; K154-A156 PolarHBondContact O-N 2.94Å; K154-N157 VanDerWaalsContact CE-CG 3.47Å; K154-N157 WeakPolarHBondContact CE-ND2 2.99Å; K154-N157 WeakPolarHBondContact CE-OD1 3.33Å; K154-N157 HydrophobicContact CG-CB 4.06Å; K154-N157 PolarHBondContact NZ-ND2 2.92Å; K154-N157 PolarHBondContact NZ-OD1 3.15Å; K154-N157 PolarHBondContact O-N 2.72Å; K154-Y197 HydrophobicContact CB-CD2 3.52Å; K154-Y197 HydrophobicContact CB-CE2 3.57Å; K154-Y197 HydrophobicContact CB-CG 4.25Å | ||
| 155 | P | 96.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -55.2 | -37.8 | -177.3 | -29.4 | 38.1 | 0 | 0 | 0 | 114.3 | L115 A116 L119 N157 L158 Y197 I221 | L115-P155 HydrophobicContact CB-CB 3.94Å; L115-P155 WeakPolarHBondContact CB-O 3.2Å; L115-P155 HydrophobicContact CD2-CB 4.16Å; L115-P155 HydrophobicContact CG-CB 3.97Å; L115-P155 PolarHBondContact N-O 2.86Å; A116-P155 HydrophobicContact CB-CB 3.97Å; L119-P155 HydrophobicContact CD1-CB 4.28Å; L119-P155 HydrophobicContact CD1-CG 4.34Å; P155-N157 PolarHBondContact O-N 2.82Å; P155-N157 VanDerWaalsContact O-N 3.15Å; P155-L158 PolarHBondContact O-N 3.35Å; P155-Y197 VanDerWaalsContact CD-OH 3.22Å; P155-Y197 WeakPolarHBondContact CD-OH 3.46Å; P155-Y197 HydrophobicContact CG-CE1 4.31Å; P155-I221 HydrophobicContact CG-CG1 4.28Å |
| 156 | A | 93.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 36% | 0.355 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -67.9 | -9.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | A116 K154 | A116-A156 HydrophobicContact CB-CB 4.08Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 HydrophobicContact CG-CB 4.46Å; K154-A156 PolarHBondContact O-N 2.94Å |
| 157 | N | 95.2 | Very high | 94 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -106.3 | 3.8 | 174 | -74.6 | 7.3 | 0 | 0 | 0 | 112.1 | D152 K154 P155 G170 | D152-N157 PolarHBondContact O-ND2 3.44Å; D152-N157 PolarHBondContact OD2-ND2 3.32Å; K154-N157 VanDerWaalsContact CE-CG 3.47Å; K154-N157 WeakPolarHBondContact CE-ND2 2.99Å; K154-N157 WeakPolarHBondContact CE-OD1 3.33Å; K154-N157 HydrophobicContact CG-CB 4.06Å; K154-N157 PolarHBondContact NZ-ND2 2.92Å; K154-N157 PolarHBondContact NZ-OD1 3.15Å; K154-N157 PolarHBondContact O-N 2.72Å; P155-N157 PolarHBondContact O-N 2.82Å; P155-N157 VanDerWaalsContact O-N 3.15Å; N157-G170 PolarHBondContact O-N 3.02Å |
| 158 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 103.8 | 175.1 | -60.4 | -174.2 | 0 | 0 | 0 | 109 | D114 L115 L136 L153 P155 L167 I169 I221 | D114-L158 CarbonylContact C-O 3.59Å; D114-L158 WeakPolarHBondContact CA-O 3.28Å; L115-L158 HydrophobicContact CB-CB 4.17Å; L115-L158 HydrophobicContact CD2-CB 4.47Å; L115-L158 HydrophobicContact CD2-CD1 4.06Å; L115-L158 PolarHBondContact N-O 3.02Å; L136-L158 HydrophobicContact CD1-CD1 4Å; L136-L158 HydrophobicContact CD1-CD2 3.76Å; L136-L158 HydrophobicContact CD2-CD1 3.87Å; L153-L158 HydrophobicContact CD2-CD2 4.28Å; P155-L158 PolarHBondContact O-N 3.35Å; L158-L167 HydrophobicContact CB-CD1 4.3Å; L158-L167 HydrophobicContact CB-CG 4.47Å; L158-L167 HydrophobicContact CD1-CD1 4.39Å; L158-L167 HydrophobicContact CD2-CD2 4.46Å; L158-I169 HydrophobicContact CD2-CB 4.29Å; L158-I169 HydrophobicContact CD2-CG1 3.87Å; L158-I169 HydrophobicContact CD2-CG2 4.36Å; L158-I221 HydrophobicContact CD1-CD1 4.01Å; L158-I221 HydrophobicContact CD1-CG2 3.93Å |
| 159 | F | 96.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 20% | 0.202 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.5 | -174.7 | -62.5 | -80.9 | 0 | 0 | 0 | 111.5 | V78 M111 T113 D114 L167 K168 | V78-F159 HydrophobicContact CG2-CB 4.36Å; V78-F159 HydrophobicContact CG2-CD2 3.62Å; V78-F159 HydrophobicContact CG2-CE2 4.35Å; V78-F159 HydrophobicContact CG2-CG 4.25Å; M111-F159 HydrophobicContact CB-CB 3.67Å; M111-F159 HydrophobicContact CB-CD1 4.23Å; M111-F159 HydrophobicContact CB-CG 4.23Å; M111-F159 HydrophobicContact CE-CB 3.91Å; M111-F159 HydrophobicContact CG-CB 3.6Å; M111-F159 HydrophobicContact CG-CG 4.23Å; T113-F159 WeakPolarHBondContact O-CA 3.4Å; D114-F159 HydrophobicContact CB-CD1 4.12Å; D114-F159 HydrophobicContact CB-CE1 4.37Å; F159-L167 CarbonylContact O-C 3.53Å; F159-L167 WeakPolarHBondContact O-CA 3.43Å; F159-K168 PolarHBondContact N-O 3.18Å; F159-K168 PolarHBondContact O-N 2.91Å |
| 160 | I | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.4 | -174.5 | -60.5 | 177.8 | 0 | 0 | 0 | 110.2 | E112 T113 L115 L118 F132 T162 V166 | E112-I160 PolarHBondContact N-O 2.82Å; T113-I160 HydrophobicContact CG2-CB 4.05Å; T113-I160 PolarHBondContact N-O 3.27Å; T113-I160 PolarHBondContact O-N 3.42Å; L115-I160 HydrophobicContact CB-CD1 3.89Å; L115-I160 HydrophobicContact CD1-CD1 3.72Å; L115-I160 HydrophobicContact CG-CD1 4.39Å; L118-I160 HydrophobicContact CB-CD1 4.46Å; L118-I160 HydrophobicContact CD2-CD1 3.62Å; F132-I160 HydrophobicContact CD2-CD1 4.46Å; F132-I160 HydrophobicContact CE1-CG2 4.28Å; F132-I160 HydrophobicContact CE2-CD1 4.04Å; F132-I160 HydrophobicContact CZ-CD1 4.12Å; F132-I160 HydrophobicContact CZ-CG2 3.96Å; I160-T162 HydrophobicContact CG2-CG2 4.03Å; I160-V166 WeakPolarHBondContact CA-O 3.27Å |
| 161 | N | 93.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.5 | 157.8 | 171.4 | -21.6 | 0 | 0 | 0 | 107.1 | M111 E163 D164 L165 V166 | M111-N161 HydrophobicContact CE-CB 4.3Å; N161-E163 PolarHBondContact OD1-N 3.22Å; N161-D164 PolarHBondContact ND2-OD2 3.31Å; N161-D164 PolarHBondContact OD1-N 2.69Å; N161-L165 VanDerWaalsContact O-CA 3.28Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 3.26Å; N161-V166 PolarHBondContact N-O 3.15Å; N161-V166 PolarHBondContact O-N 2.72Å |
| 162 | T | 88.4 | Confident | 94.3 | Very high | 70 Ų | 70 | 34.1 Ų | 34.1 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -21 | -171.7 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | E112 T113 I160 | E112-T162 WeakPolarHBondContact OE2-CA 3.37Å; E112-T162 WeakPolarHBondContact OE2-CB 3.22Å; E112-T162 PolarHBondContact OE2-N 3.43Å; E112-T162 PolarHBondContact OE2-OG1 3.31Å; T113-T162 HydrophobicContact CG2-CG2 3.83Å; I160-T162 HydrophobicContact CG2-CG2 4.03Å |
| 163 | E | 89.1 | Confident | 94 | Very high | 168 Ų | 168 | 34 Ų | 34 | 79% | 0.785 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -42.8 | 172.4 | -61 | -161 | 156.6 | 0 | 0 | 111.3 | N161 | N161-E163 PolarHBondContact OD1-N 3.22Š|
| 164 | D | 92.2 | Very high | 93.5 | Very high | 115 Ų | 115 | 35.9 Ų | 35.9 | 62% | 0.615 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -8.4 | -178.8 | -65.7 | -55.3 | 0 | 0 | 0 | 114.3 | N161 V166 | N161-D164 PolarHBondContact ND2-OD2 3.31Å; N161-D164 PolarHBondContact OD1-N 2.69Å; D164-V166 HydrophobicContact CB-CG2 3.9Å; D164-V166 PolarHBondContact O-N 3.03Å |
| 165 | L | 95.6 | Very high | 93.1 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 36% | 0.356 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 33.5 | -172.5 | -59.8 | 177.3 | 0 | 0 | 0 | 114.3 | L131 F132 Q135 N161 | L131-L165 HydrophobicContact CD2-CB 4.25Å; L131-L165 HydrophobicContact CD2-CD1 4.47Å; F132-L165 WeakPolarHBondContact CE1-O 3.28Å; F132-L165 HydrophobicContact CZ-CD2 4.43Å; Q135-L165 PolarHBondContact NE2-O 3.12Å; N161-L165 VanDerWaalsContact O-CA 3.28Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 3.26Å |
| 166 | V | 97.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.7 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | I160 N161 D164 K168 | I160-V166 WeakPolarHBondContact CA-O 3.27Å; N161-V166 PolarHBondContact N-O 3.15Å; N161-V166 PolarHBondContact O-N 2.72Å; D164-V166 HydrophobicContact CB-CG2 3.9Å; D164-V166 PolarHBondContact O-N 3.03Å; V166-K168 HydrophobicContact CG1-CG 4.05Å |
| 167 | L | 98.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.4 | 172.1 | 179.6 | 151.4 | 0 | 0 | 0 | 110.9 | N76 F132 Q135 L136 L158 F159 | N76-L167 WeakPolarHBondContact CA-O 3.43Å; N76-L167 PolarHBondContact ND2-O 3.44Å; F132-L167 HydrophobicContact CB-CD1 3.77Å; F132-L167 HydrophobicContact CD1-CB 3.85Å; F132-L167 HydrophobicContact CD1-CD1 4.25Å; F132-L167 HydrophobicContact CE1-CB 4.45Å; F132-L167 HydrophobicContact CG-CD1 4.11Å; Q135-L167 HydrophobicContact CB-CB 4.11Å; Q135-L167 HydrophobicContact CB-CD2 4.47Å; L136-L167 HydrophobicContact CB-CD2 4.18Å; L158-L167 HydrophobicContact CB-CD1 4.3Å; L158-L167 HydrophobicContact CB-CG 4.47Å; L158-L167 HydrophobicContact CD1-CD1 4.39Å; L158-L167 HydrophobicContact CD2-CD2 4.46Å; F159-L167 CarbonylContact O-C 3.53Å; F159-L167 WeakPolarHBondContact O-CA 3.43Å |
| 168 | K | 98.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 35 Ų | 35 | 10% | 0.1 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.8 | 177.9 | -56.2 | -160.7 | 177.6 | -148.6 | 0 | 113.3 | D75 N76 V78 E109 M111 F159 V166 | D75-K168 WeakPolarHBondContact O-CD 3.47Å; D75-K168 WeakPolarHBondContact O-CE 3.48Å; D75-K168 WeakPolarHBondContact O-CG 3.49Å; D75-K168 PolarHBondContact O-NZ 3.16Å; D75-K168 VanDerWaalsContact O-NZ 3.11Å; N76-K168 WeakPolarHBondContact O-CA 3.32Å; V78-K168 HydrophobicContact CG2-CB 3.79Å; E109-K168 WeakPolarHBondContact OE1-CE 3.28Å; E109-K168 IonicContact OE1-NZ 2.87Å; E109-K168 PolarHBondContact OE1-NZ 3.09Å; E109-K168 WeakPolarHBondContact OE2-CD 3.42Å; E109-K168 WeakPolarHBondContact OE2-CE 3.39Å; E109-K168 IonicContact OE2-NZ 3.76Å; E109-K168 PolarHBondContact OE2-NZ 3.09Å; M111-K168 HydrophobicContact CE-CB 4.09Å; M111-K168 HydrophobicContact CE-CD 4.07Å; M111-K168 HydrophobicContact CE-CG 3.79Å; M111-K168 HydrophobicContact SD-CD 3.89Å; M111-K168 HydrophobicContact SD-CG 4.28Å; F159-K168 PolarHBondContact N-O 3.18Å; F159-K168 PolarHBondContact O-N 2.91Å; V166-K168 HydrophobicContact CG1-CG 4.05Å |
| 169 | I | 98.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.3 | 175.8 | -54.6 | 167.2 | 0 | 0 | 0 | 109.9 | N76 V78 L136 L140 I143 L153 L158 F172 | N76-I169 PolarHBondContact O-N 2.71Å; V78-I169 PolarHBondContact N-O 2.84Å; L136-I169 HydrophobicContact CD1-CD1 3.9Å; L136-I169 HydrophobicContact CD1-CG1 3.91Å; L140-I169 HydrophobicContact CD2-CD1 4.12Å; L140-I169 HydrophobicContact CG-CD1 4.13Å; I143-I169 HydrophobicContact CD1-CB 4.42Å; I143-I169 HydrophobicContact CD1-CD1 3.65Å; I143-I169 HydrophobicContact CD1-CG2 4.14Å; L153-I169 HydrophobicContact CD2-CG2 3.96Å; L158-I169 HydrophobicContact CD2-CB 4.29Å; L158-I169 HydrophobicContact CD2-CG1 3.87Å; L158-I169 HydrophobicContact CD2-CG2 4.36Å; I169-F172 HydrophobicContact CG2-CZ 4.25Å |
| 170 | G | 93.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -152.4 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H150 N157 | H150-G170 PolarHBondContact CE1-O 2.92Å; H150-G170 PolarHBondContact NE2-O 2.88Å; N157-G170 PolarHBondContact O-N 3.02Å | ||
| 171 | D | 88.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | trans | 62.4 | 62.2 | -171.6 | -160.6 | 27.4 | 0 | 0 | 0 | 115.2 | N31 K49 G173 | N31-D171 VanDerWaalsContact ND2-CG 3.31Å; N31-D171 PolarHBondContact ND2-OD1 2.97Å; N31-D171 PolarHBondContact ND2-OD2 2.91Å; K49-D171 IonicContact NZ-OD1 3.74Å; K49-D171 PolarHBondContact NZ-OD1 3.35Å; D171-G173 PolarHBondContact O-N 3.05Å | ||
| 172 | F | 89.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -71 | 14.3 | 176.9 | -68.9 | -99.6 | 0 | 0 | 0 | 114.3 | E65 I68 I69 L72 I77 I143 H150 I169 L174 A175 | E65-F172 HydrophobicContact CG-CB 4.19Å; I68-F172 HydrophobicContact CG2-CB 4.42Å; I68-F172 HydrophobicContact CG2-CD1 3.8Å; I68-F172 HydrophobicContact CG2-CE1 4.41Å; I68-F172 HydrophobicContact CG2-CG 4.29Å; I69-F172 HydrophobicContact CG2-CB 3.8Å; I69-F172 HydrophobicContact CG2-CD2 3.77Å; I69-F172 HydrophobicContact CG2-CG 3.94Å; L72-F172 HydrophobicContact CD1-CD1 4.09Å; L72-F172 HydrophobicContact CD1-CE1 3.46Å; L72-F172 VanDerWaalsContact CD1-CE1 3.46Å; L72-F172 HydrophobicContact CD1-CZ 3.74Å; I77-F172 HydrophobicContact CG2-CE2 3.82Å; I77-F172 HydrophobicContact CG2-CZ 3.86Å; I143-F172 HydrophobicContact CD1-CE1 3.93Å; I143-F172 HydrophobicContact CD1-CZ 3.82Å; I143-F172 HydrophobicContact CG1-CE1 4.26Å; I143-F172 HydrophobicContact CG1-CZ 4.37Å; H150-F172 AromaticContact CD2-CD1 3.78Å; H150-F172 AromaticContact CD2-CE1 3.67Å; I169-F172 HydrophobicContact CG2-CZ 4.25Å; F172-L174 PolarHBondContact O-N 3.23Å; F172-L174 VanDerWaalsContact O-N 3.1Å; F172-A175 HydrophobicContact CB-CB 3.97Å; F172-A175 HydrophobicContact CD1-CB 3.98Å; F172-A175 HydrophobicContact CG-CB 4.48Å; F172-A175 WeakPolarHBondContact O-CB 3.13Å; F172-A175 PolarHBondContact O-N 3.01Å |
| 173 | G | 83.5 | Confident | 83.6 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.7 | -18.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E65 D171 | E65-G173 WeakPolarHBondContact OE2-CA 3.38Å; D171-G173 PolarHBondContact O-N 3.05Å |
| 174 | L | 84.6 | Confident | 82 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -107.8 | 8.4 | 171.3 | -66.6 | 179.6 | 0 | 0 | 0 | 113.6 | R151 D152 F172 V193 | R151-L174 WeakPolarHBondContact CD-O 3.24Å; R151-L174 PolarHBondContact NH1-O 3.39Å; D152-L174 HydrophobicContact CB-CB 4.06Å; D152-L174 HydrophobicContact CB-CD1 3.86Å; D152-L174 HydrophobicContact CB-CG 4.47Å; F172-L174 PolarHBondContact O-N 3.23Å; F172-L174 VanDerWaalsContact O-N 3.1Å; L174-V193 HydrophobicContact CD1-CG2 4.27Å |
| 175 | A | 88.3 | Confident | 80.1 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | trans | -66.5 | 157.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R64 I68 V148 L149 F172 | R64-A175 WeakPolarHBondContact CD-O 3.43Å; I68-A175 HydrophobicContact CD1-CB 3.73Å; V148-A175 HydrophobicContact CG1-CB 4.19Å; L149-A175 CarbonylContact O-C 3.53Å; L149-A175 WeakPolarHBondContact O-CA 3.45Å; L149-A175 WeakPolarHBondContact O-CB 3.5Å; F172-A175 HydrophobicContact CB-CB 3.97Å; F172-A175 HydrophobicContact CD1-CB 3.98Å; F172-A175 HydrophobicContact CG-CB 4.48Å; F172-A175 WeakPolarHBondContact O-CB 3.13Å; F172-A175 PolarHBondContact O-N 3.01Å | ||
| 176 | R | 86.2 | Confident | 77.6 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 150.9 | 173.8 | -73.4 | -70.5 | 160.8 | 142.9 | 5.8 | 111.7 | H61 V148 L149 E337 | H61-R176 PolarHBondContact NE2-NH2 3.03Å; V148-R176 CarbonylContact C-O 3.56Å; V148-R176 WeakPolarHBondContact CA-O 3.47Å; L149-R176 PolarHBondContact N-O 3.47Å; L149-R176 PolarHBondContact O-N 2.77Å; R176-E337 IonicContact CZ-OE1 3.14Å; R176-E337 IonicContact NE-OE1 2.7Å; R176-E337 IonicContact NH1-OE1 3.96Å; R176-E337 PolarHBondContact NH1-OE1 2.98Å |
| 177 | I | 86.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.9 | 167.8 | -64.9 | 167 | 0 | 0 | 0 | 107.6 | I68 N147 H184 F332 D336 E337 | I68-I177 HydrophobicContact CD1-CG1 4.48Å; N147-I177 CarbonylContact O-C 3.56Å; N147-I177 WeakPolarHBondContact O-CA 3.44Å; I177-H184 PolarHBondContact O-NE2 3.15Å; I177-F332 HydrophobicContact CB-CB 4.22Å; I177-F332 HydrophobicContact CD1-CB 3.84Å; I177-F332 HydrophobicContact CD1-CD1 3.48Å; I177-F332 VanDerWaalsContact CD1-CD1 3.48Å; I177-F332 HydrophobicContact CD1-CE1 4.31Å; I177-F332 HydrophobicContact CD1-CG 3.96Å; I177-F332 HydrophobicContact CG1-CB 3.68Å; I177-F332 HydrophobicContact CG1-CD1 3.96Å; I177-F332 HydrophobicContact CG1-CG 3.95Å; I177-F332 HydrophobicContact CG2-CB 3.59Å; I177-D336 HydrophobicContact CD1-CB 3.66Å; I177-E337 HydrophobicContact CD1-CB 4.23Å |
| 178 | M | 82.1 | Confident | 72.5 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 16% | 0.163 | 27% | 0.266 | C | S | . | . | trans | -95.5 | 125.7 | -179.7 | -159.4 | -172.3 | 78.8 | 0 | 0 | 109.9 | N147 L149 K211 | N147-M178 HydrophobicContact CB-CB 4.5Å; N147-M178 PolarHBondContact O-N 2.81Å; L149-M178 HydrophobicContact CD1-CB 4.45Å; L149-M178 HydrophobicContact CD1-CG 4.18Å; L149-M178 HydrophobicContact CD1-SD 4.43Å; L149-M178 HydrophobicContact CD2-SD 4.2Å; L149-M178 HydrophobicContact CG-CB 4.26Å; L149-M178 HydrophobicContact CG-CG 4.43Å; M178-K211 HydrophobicContact CE-CD 4.28Å; M178-K211 HydrophobicContact CE-CG 4.46Å; M178-K211 HydrophobicContact SD-CD 4.44Å; M178-K211 HydrophobicContact SD-CG 3.96Å | ||
| 179 | D | 70.8 | Confident | 69.9 | Low | 31 Ų | 31 | 54.7 Ų | 54.7 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | trans | -120.2 | 115.7 | 174 | 177.2 | -2.8 | 0 | 0 | 0 | 108.9 | H181 Y182 I334 | D179-H181 PolarHBondContact O-N 2.87Å; D179-H181 VanDerWaalsContact O-N 3.09Å; D179-H181 WeakPolarHBondContact OD1-CA 3.26Å; D179-H181 WeakPolarHBondContact OD1-CB 3.32Å; D179-H181 PolarHBondContact OD1-N 3.09Å; D179-Y182 PolarHBondContact O-N 2.93Å; D179-Y182 VanDerWaalsContact O-N 3.13Å; D179-Y182 WeakPolarHBondContact OD2-CB 3.49Å; D179-I334 HydrophobicContact CB-CB 4.13Å; D179-I334 HydrophobicContact CB-CD1 4.17Å; D179-I334 HydrophobicContact CB-CG1 4.41Å; D179-I334 VanDerWaalsContact OD2-CB 3.29Å; D179-I334 WeakPolarHBondContact OD2-CB 3.29Å; D179-I334 WeakPolarHBondContact OD2-CG1 3.44Å | ||
| 180 | P | 58.5 | Low | 67.4 | Low | 90 Ų | 90 | 63.2 Ų | 63.2 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.8 | 175.3 | -26 | 35.5 | 0 | 0 | 0 | 114.7 | ||
| 181 | H | 58.1 | Low | 65.1 | Low | 182 Ų | 182 | 65.3 Ų | 65.3 | 84% | 0.843 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -10.1 | -179.5 | -56.8 | -38.8 | 0 | 0 | 0 | 113.7 | D179 | D179-H181 PolarHBondContact O-N 2.87Å; D179-H181 VanDerWaalsContact O-N 3.09Å; D179-H181 WeakPolarHBondContact OD1-CA 3.26Å; D179-H181 WeakPolarHBondContact OD1-CB 3.32Å; D179-H181 PolarHBondContact OD1-N 3.09Å |
| 182 | Y | 61.2 | Low | 63.1 | Low | 129 Ų | 129 | 72.1 Ų | 72.1 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | trans | -127.9 | 99 | -177.8 | -165.8 | -89.3 | 0 | 0 | 0 | 113.2 | D179 H184 I334 | D179-Y182 PolarHBondContact O-N 2.93Å; D179-Y182 VanDerWaalsContact O-N 3.13Å; D179-Y182 WeakPolarHBondContact OD2-CB 3.49Å; Y182-H184 PolarHBondContact O-N 3.09Å; Y182-I334 HydrophobicContact CD1-CD1 4.19Å; Y182-I334 HydrophobicContact CG-CD1 4.4Å | ||
| 183 | S | 55.5 | Low | 61.7 | Low | 73 Ų | 73 | 74 Ų | 74 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | trans | -68.4 | 114.4 | 167.8 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | K185 N207 | S183-K185 PolarHBondContact O-N 2.99Å; S183-N207 PolarHBondContact OG-O 3.32Å | ||
| 184 | H | 55.8 | Low | 61 | Low | 18 Ų | 18 | 76.6 Ų | 76.6 | 8% | 0.083 | 41% | 0.414 | C | S | . | . | trans | -61 | 92.1 | 175.6 | -75 | -69.7 | 0 | 0 | 0 | 112.1 | I177 Y182 G186 N207 Y209 E337 | I177-H184 PolarHBondContact O-NE2 3.15Å; Y182-H184 PolarHBondContact O-N 3.09Å; H184-G186 PolarHBondContact O-N 3.33Å; H184-N207 WeakPolarHBondContact O-CB 3.46Å; H184-Y209 HydrophobicContact CB-CD2 4Å; H184-Y209 HydrophobicContact CB-CE2 3.85Å; H184-E337 IonicContact CE1-OE1 2.77Å; H184-E337 IonicContact CE1-OE2 3.58Å; H184-E337 PolarHBondContact CE1-OE2 2.87Å; H184-E337 IonicContact NE2-OE2 3.63Å | ||
| 185 | K | 50.7 | Low | 61 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | trans | -64.7 | 10.2 | 168.1 | -75.8 | -168.9 | 165.8 | -163.8 | 0 | 114.2 | S183 H187 E481 | S183-K185 PolarHBondContact O-N 2.99Å; K185-H187 PolarHBondContact O-N 3.42Å; K185-E481 IonicContact NZ-OE1 3.08Å; K185-E481 PolarHBondContact NZ-OE1 2.8Å | ||
| 186 | G | 44.5 | Very low | 61.4 | Low | 35 Ų | 35 | 80.9 Ų | 80.9 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 117.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H184 L188 N207 Y209 | H184-G186 PolarHBondContact O-N 3.33Å; G186-L188 PolarHBondContact O-N 2.87Å; G186-N207 PolarHBondContact O-OD1 2.75Å; G186-Y209 PolarHBondContact O-OH 3.07Å |
| 187 | H | 40.7 | Very low | 61.8 | Low | 150 Ų | 150 | 80.4 Ų | 80.4 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 136.6 | 174.9 | -70.5 | 46 | 0 | 0 | 0 | 110 | K185 | K185-H187 PolarHBondContact O-N 3.42Š|
| 188 | L | 47.9 | Very low | 62.1 | Low | 56 Ų | 56 | 82.1 Ų | 82.1 | 29% | 0.293 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 143.9 | 162.9 | -71.8 | 170.7 | 0 | 0 | 0 | 109.3 | R151 G186 E190 L202 P206 Y209 | R151-L188 VanDerWaalsContact NH2-CD2 3.3Å; G186-L188 PolarHBondContact O-N 2.87Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 2.94Å; L188-L202 HydrophobicContact CD1-CD1 4.05Å; L188-P206 HydrophobicContact CD1-CB 3.7Å; L188-P206 HydrophobicContact CG-CB 4.26Å; L188-Y209 HydrophobicContact CD2-CE1 4.17Å |
| 189 | S | 43.8 | Very low | 62.6 | Low | 88 Ų | 88 | 80.5 Ų | 80.5 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | trans | -68.8 | 92.1 | 169.6 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | G191 | S189-G191 PolarHBondContact O-N 3.34Š| ||
| 190 | E | 45.7 | Very low | 63.6 | Low | 179 Ų | 179 | 79 Ų | 79 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 119.8 | -179.5 | -170.8 | 173.6 | -140.4 | 0 | 0 | 110.6 | L188 | L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 2.94Å |
| 191 | G | 44.6 | Very low | 65 | Low | 48 Ų | 48 | 76 Ų | 76 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 145 | -44.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | S189 | S189-G191 PolarHBondContact O-N 3.34Š|
| 192 | L | 46.4 | Very low | 66.3 | Low | 175 Ų | 175 | 68.1 Ų | 68.1 | 92% | 0.916 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -126.8 | 11.2 | -157.1 | -69.6 | 175.5 | 0 | 0 | 0 | 117.4 | ||
| 193 | V | 60.7 | Low | 67.5 | Low | 45 Ų | 45 | 63.4 Ų | 63.4 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -110.7 | 137.2 | -179.5 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | L174 K195 | L174-V193 HydrophobicContact CD1-CG2 4.27Å; V193-K195 WeakPolarHBondContact O-CG 3.4Å; V193-K195 PolarHBondContact O-N 3.23Å |
| 194 | T | 68.9 | Low | 68.9 | Low | 64 Ų | 64 | 60.3 Ų | 60.3 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | trans | -49.6 | 123 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | W196 Y197 | T194-W196 HydrophobicContact CG2-CB 4.27Å; T194-W196 HydrophobicContact CG2-CD2 3.76Å; T194-W196 HydrophobicContact CG2-CE3 3.71Å; T194-W196 HydrophobicContact CG2-CG 4.01Å; T194-W196 HydrophobicContact CG2-CZ3 4.38Å; T194-Y197 HydrophobicContact CG2-CD2 4.29Å; T194-Y197 HydrophobicContact CG2-CE2 3.97Å | ||
| 195 | K | 84.9 | Confident | 69.8 | Low | 39 Ų | 39 | 60.9 Ų | 60.9 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | trans | -89.8 | -14.8 | -169.8 | -58.3 | 176.5 | -176.5 | -178.1 | 0 | 113.4 | V193 Y197 R198 E237 | V193-K195 WeakPolarHBondContact O-CG 3.4Å; V193-K195 PolarHBondContact O-N 3.23Å; K195-Y197 VanDerWaalsContact C-N 3.3Å; K195-Y197 PolarHBondContact O-N 3.41Å; K195-R198 WeakPolarHBondContact O-CB 3.46Å; K195-R198 WeakPolarHBondContact O-CG 3.32Å; K195-R198 PolarHBondContact O-N 3.27Å; K195-R198 VanDerWaalsContact O-N 3.09Å; K195-E237 VanDerWaalsContact CD-OE1 3.29Å; K195-E237 WeakPolarHBondContact CD-OE1 3.49Å; K195-E237 WeakPolarHBondContact CE-OE1 3.45Å; K195-E237 WeakPolarHBondContact CE-OE2 3.22Å; K195-E237 VanDerWaalsContact NZ-CD 3.31Å; K195-E237 IonicContact NZ-OE1 2.73Å; K195-E237 PolarHBondContact NZ-OE1 3.23Å; K195-E237 VanDerWaalsContact NZ-OE1 3.17Å; K195-E237 IonicContact NZ-OE2 2.87Å; K195-E237 PolarHBondContact NZ-OE2 3Å | ||
| 196 | W | 94.6 | Very high | 70.5 | Confident | 97 Ų | 97 | 57 Ų | 57 | 37% | 0.367 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.2 | -166.1 | -54.7 | -25.6 | 0 | 0 | 0 | 115.1 | T194 T230 F232 G234 Q240 | T194-W196 HydrophobicContact CG2-CB 4.27Å; T194-W196 HydrophobicContact CG2-CD2 3.76Å; T194-W196 HydrophobicContact CG2-CE3 3.71Å; T194-W196 HydrophobicContact CG2-CG 4.01Å; T194-W196 HydrophobicContact CG2-CZ3 4.38Å; W196-T230 HydrophobicContact CB-CG2 3.58Å; W196-T230 HydrophobicContact CD2-CG2 3.93Å; W196-T230 HydrophobicContact CE3-CG2 3.74Å; W196-T230 HydrophobicContact CG-CG2 3.91Å; W196-F232 WeakPolarHBondContact CA-O 3.4Å; W196-F232 VanDerWaalsContact CB-O 3.31Å; W196-F232 WeakPolarHBondContact CB-O 3.22Å; W196-G234 VanDerWaalsContact CD1-O 3.26Å; W196-G234 PolarHBondContact NE1-O 2.8Å; W196-Q240 PolarHBondContact O-NE2 3.09Å |
| 197 | Y | 95.4 | Very high | 71.5 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 9% | 0.09 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.4 | -179.6 | -46.8 | -78.2 | 0 | 0 | 0 | 113 | L153 K154 P155 T194 K195 C220 I221 E224 | L153-Y197 WeakPolarHBondContact O-CB 3.37Å; K154-Y197 HydrophobicContact CB-CD2 3.52Å; K154-Y197 HydrophobicContact CB-CE2 3.57Å; K154-Y197 HydrophobicContact CB-CG 4.25Å; P155-Y197 VanDerWaalsContact CD-OH 3.22Å; P155-Y197 WeakPolarHBondContact CD-OH 3.46Å; P155-Y197 HydrophobicContact CG-CE1 4.31Å; T194-Y197 HydrophobicContact CG2-CD2 4.29Å; T194-Y197 HydrophobicContact CG2-CE2 3.97Å; K195-Y197 VanDerWaalsContact C-N 3.3Å; K195-Y197 PolarHBondContact O-N 3.41Å; Y197-C220 HydrophobicContact CD1-CB 3.93Å; Y197-I221 HydrophobicContact CD1-CG1 3.83Å; Y197-I221 HydrophobicContact CE1-CG1 3.92Å; Y197-E224 PolarHBondContact OH-OE1 3.02Å; Y197-E224 PolarHBondContact OH-OE2 2.99Å |
| 198 | R | 92.6 | Very high | 72.7 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -74.9 | 135.7 | 179.4 | -65.4 | -177.6 | 178.7 | 175.8 | 1.4 | 111.3 | K195 L202 L203 W216 E237 | K195-R198 WeakPolarHBondContact O-CB 3.46Å; K195-R198 WeakPolarHBondContact O-CG 3.32Å; K195-R198 PolarHBondContact O-N 3.27Å; K195-R198 VanDerWaalsContact O-N 3.09Å; R198-L202 HydrophobicContact CB-CD2 4.1Å; R198-L202 HydrophobicContact CG-CD2 4.01Å; R198-L203 HydrophobicContact CB-CD2 4.07Å; R198-L203 HydrophobicContact CB-CG 4.16Å; R198-W216 PolarHBondContact O-NE1 2.79Å; R198-W216 VanDerWaalsContact O-NE1 3.09Å; R198-E237 IonicContact CZ-OE1 2.88Å; R198-E237 IonicContact NH1-OE1 3.42Å; R198-E237 PolarHBondContact NH1-OE1 3.49Å | ||
| 199 | S | 93.1 | Very high | 74 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -74.9 | 158.6 | 178.6 | 75.5 | 0 | 0 | 0 | 0 | 113 | R201 L202 L203 W216 | S199-R201 PolarHBondContact O-N 3.37Å; S199-L202 PolarHBondContact O-N 3.16Å; S199-L202 VanDerWaalsContact O-N 3.1Å; S199-L202 WeakPolarHBondContact OG-CB 3.09Å; S199-L202 PolarHBondContact OG-N 3.23Å; S199-L203 WeakPolarHBondContact O-CG 3.42Å; S199-L203 PolarHBondContact O-N 3.39Å; S199-L203 VanDerWaalsContact O-N 3.07Å; S199-W216 VanDerWaalsContact CB-CG 3.5Å | ||
| 200 | P | 92.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | -179.4 | -14.9 | 25 | 0 | 0 | 0 | 111.5 | L202 L203 L204 W216 M241 I244 F299 | P200-L202 PolarHBondContact O-N 3.17Å; P200-L203 PolarHBondContact O-N 3.48Å; P200-L204 WeakPolarHBondContact O-CG 3.31Å; P200-L204 PolarHBondContact O-N 2.78Å; P200-W216 HydrophobicContact CG-CE3 4.25Å; P200-W216 HydrophobicContact CG-CH2 3.81Å; P200-W216 HydrophobicContact CG-CZ2 4.22Å; P200-W216 HydrophobicContact CG-CZ3 3.83Å; P200-M241 HydrophobicContact CB-CE 4.07Å; P200-M241 HydrophobicContact CB-SD 4.48Å; P200-M241 WeakPolarHBondContact O-CE 3.35Å; P200-I244 HydrophobicContact CB-CG2 4.29Å; P200-I244 HydrophobicContact CG-CD1 4.35Å; P200-I244 HydrophobicContact CG-CG2 3.87Å; P200-F299 HydrophobicContact CB-CD2 3.76Å; P200-F299 HydrophobicContact CB-CE2 3.4Å; P200-F299 HydrophobicContact CB-CG 4.47Å; P200-F299 HydrophobicContact CB-CZ 3.83Å; P200-F299 HydrophobicContact CG-CD2 3.94Å; P200-F299 HydrophobicContact CG-CE2 4.1Å |
| 201 | R | 87.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 177.2 | -175.2 | 52.3 | 60.7 | -178.8 | 0.4 | 112.6 | S199 L204 S205 D255 E258 P301 | S199-R201 PolarHBondContact O-N 3.37Å; R201-L204 PolarHBondContact O-N 3.08Å; R201-S205 PolarHBondContact O-N 3.09Å; R201-D255 IonicContact CZ-OD1 3.39Å; R201-D255 IonicContact NH2-OD1 3.99Å; R201-D255 PolarHBondContact NH2-OD1 2.85Å; R201-E258 IonicContact CZ-OE1 2.72Å; R201-E258 IonicContact CZ-OE2 3.44Å; R201-E258 VanDerWaalsContact CZ-OE2 3.22Å; R201-E258 IonicContact NH1-OE1 3.96Å; R201-E258 PolarHBondContact NH1-OE1 3.43Å; R201-E258 IonicContact NH1-OE2 3.41Å; R201-E258 PolarHBondContact NH1-OE2 3.18Å; R201-E258 IonicContact NH2-OE2 3.71Å; R201-E258 PolarHBondContact NH2-OE2 3.15Å; R201-P301 HydrophobicContact CG-CG 4.27Å |
| 202 | L | 84.9 | Confident | 80.7 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70 | -32.1 | 176.5 | -174.4 | 64.3 | 0 | 0 | 0 | 112.4 | L188 R198 S199 P200 Y209 | L188-L202 HydrophobicContact CD1-CD1 4.05Å; R198-L202 HydrophobicContact CB-CD2 4.1Å; R198-L202 HydrophobicContact CG-CD2 4.01Å; S199-L202 PolarHBondContact O-N 3.16Å; S199-L202 VanDerWaalsContact O-N 3.1Å; S199-L202 WeakPolarHBondContact OG-CB 3.09Å; S199-L202 PolarHBondContact OG-N 3.23Å; P200-L202 PolarHBondContact O-N 3.17Å; L202-Y209 HydrophobicContact CD1-CD1 3.96Å; L202-Y209 HydrophobicContact CD1-CE1 3.83Å |
| 203 | L | 87.3 | Confident | 83 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74 | -33 | 174.8 | -66.3 | 167.8 | 0 | 0 | 0 | 112.8 | R198 S199 P200 E237 Q240 M241 I244 | R198-L203 HydrophobicContact CB-CD2 4.07Å; R198-L203 HydrophobicContact CB-CG 4.16Å; S199-L203 WeakPolarHBondContact O-CG 3.42Å; S199-L203 PolarHBondContact O-N 3.39Å; S199-L203 VanDerWaalsContact O-N 3.07Å; P200-L203 PolarHBondContact O-N 3.48Å; L203-E237 HydrophobicContact CD2-CB 4.19Å; L203-E237 HydrophobicContact CD2-CG 3.92Å; L203-Q240 HydrophobicContact CD1-CB 4.18Å; L203-Q240 HydrophobicContact CD1-CG 3.73Å; L203-Q240 HydrophobicContact CD2-CG 4.47Å; L203-M241 HydrophobicContact CB-CE 3.72Å; L203-M241 HydrophobicContact CD1-CE 4.08Å; L203-I244 HydrophobicContact CD1-CD1 3.95Å |
| 204 | L | 83.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -84.9 | -36 | 178.5 | -70.3 | 174.8 | 0 | 0 | 0 | 114.3 | P200 R201 M241 L259 V262 F299 L476 | P200-L204 WeakPolarHBondContact O-CG 3.31Å; P200-L204 PolarHBondContact O-N 2.78Å; R201-L204 PolarHBondContact O-N 3.08Å; L204-M241 HydrophobicContact CD1-CE 4.4Å; L204-M241 HydrophobicContact CD2-CE 4.15Å; L204-M241 HydrophobicContact CG-CE 3.82Å; L204-L259 HydrophobicContact CD1-CD2 3.9Å; L204-L259 HydrophobicContact CD1-CG 4.27Å; L204-L259 HydrophobicContact CD2-CD2 4.02Å; L204-L259 HydrophobicContact CG-CD2 4.5Å; L204-V262 HydrophobicContact CD2-CB 4.26Å; L204-V262 HydrophobicContact CD2-CG1 4.04Å; L204-F299 HydrophobicContact CD1-CZ 4.01Å; L204-L476 WeakPolarHBondContact O-CD1 3.49Å |
| 205 | S | 75.3 | Confident | 86.1 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 21% | 0.21 | 14% | 0.14 | C | C | . | . | trans | -142.5 | 84 | -173.1 | -84.1 | 0 | 0 | 0 | 0 | 109.6 | R201 N207 N208 | R201-S205 PolarHBondContact O-N 3.09Å; S205-N207 PolarHBondContact O-N 3.38Å; S205-N208 PolarHBondContact O-N 2.73Å; S205-N208 VanDerWaalsContact O-N 3.08Å | ||
| 206 | P | 66.1 | Low | 86.7 | Confident | 51 Ų | 51 | 26.4 Ų | 26.4 | 33% | 0.331 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22 | -172.2 | 22.9 | -34.6 | 0 | 0 | 0 | 113.7 | L188 Y209 | L188-P206 HydrophobicContact CD1-CB 3.7Å; L188-P206 HydrophobicContact CG-CB 4.26Å; P206-Y209 WeakPolarHBondContact O-CE1 3.29Å; P206-Y209 WeakPolarHBondContact O-CE2 3.26Å; P206-Y209 PolarHBondContact O-OH 3.22Å |
| 207 | N | 64.3 | Low | 86.9 | Confident | 37 Ų | 37 | 22 Ų | 22 | 20% | 0.198 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.5 | -178.3 | -61.4 | -9.7 | 0 | 0 | 0 | 114.5 | S183 H184 G186 S205 | S183-N207 PolarHBondContact OG-O 3.32Å; H184-N207 WeakPolarHBondContact O-CB 3.46Å; G186-N207 PolarHBondContact O-OD1 2.75Å; S205-N207 PolarHBondContact O-N 3.38Å |
| 208 | N | 67.1 | Low | 87 | Confident | 75 Ų | 75 | 21 Ų | 21 | 40% | 0.401 | 11% | 0.112 | S | C | . | . | trans | -109.3 | 72.9 | -178.1 | -163.6 | 34.3 | 0 | 0 | 0 | 111.6 | S205 | S205-N208 PolarHBondContact O-N 2.73Å; S205-N208 VanDerWaalsContact O-N 3.08Å | ||
| 209 | Y | 74.4 | Confident | 87.3 | Confident | 21 Ų | 21 | 19.2 Ų | 19.2 | 8% | 0.082 | 11% | 0.105 | C | C | . | . | trans | -84.8 | 136.1 | -179 | -45.9 | -86.8 | 0 | 0 | 0 | 111.5 | R151 H184 G186 L188 L202 P206 I213 | R151-Y209 HydrophobicContact CG-CD1 4.47Å; R151-Y209 VanDerWaalsContact NE-CE1 3.26Å; R151-Y209 PolarHBondContact NH2-OH 3.33Å; H184-Y209 HydrophobicContact CB-CD2 4Å; H184-Y209 HydrophobicContact CB-CE2 3.85Å; G186-Y209 PolarHBondContact O-OH 3.07Å; L188-Y209 HydrophobicContact CD2-CE1 4.17Å; L202-Y209 HydrophobicContact CD1-CD1 3.96Å; L202-Y209 HydrophobicContact CD1-CE1 3.83Å; P206-Y209 WeakPolarHBondContact O-CE1 3.29Å; P206-Y209 WeakPolarHBondContact O-CE2 3.26Å; P206-Y209 PolarHBondContact O-OH 3.22Å; Y209-I213 HydrophobicContact CD1-CD1 3.91Å; Y209-I213 HydrophobicContact CG-CD1 4.45Å | ||
| 210 | T | 88.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 19.3 Ų | 19.3 | 27% | 0.27 | 11% | 0.106 | S | C | . | . | trans | -143 | 165.1 | 172.7 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | A212 I213 | T210-A212 PolarHBondContact O-N 3.01Å; T210-I213 WeakPolarHBondContact O-CG1 3.43Å; T210-I213 PolarHBondContact O-N 3.04Å | ||
| 211 | K | 93.2 | Very high | 87.9 | Confident | 44 Ų | 44 | 19.3 Ų | 19.3 | 19% | 0.191 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -34.5 | 174.2 | -65.7 | 168.9 | -178.5 | 180 | 0 | 112.2 | H144 N147 L149 M178 I213 D214 E393 | H144-K211 HydrophobicContact CB-CD 4.05Å; H144-K211 HydrophobicContact CB-CG 4.03Å; H144-K211 PolarHBondContact CE1-O 2.97Å; H144-K211 WeakPolarHBondContact O-CE 3.46Å; H144-K211 PolarHBondContact O-NZ 3.31Å; N147-K211 WeakPolarHBondContact OD1-CE 3.42Å; N147-K211 PolarHBondContact OD1-NZ 3.38Å; L149-K211 HydrophobicContact CD2-CB 4.33Å; L149-K211 HydrophobicContact CD2-CG 3.94Å; M178-K211 HydrophobicContact CE-CD 4.28Å; M178-K211 HydrophobicContact CE-CG 4.46Å; M178-K211 HydrophobicContact SD-CD 4.44Å; M178-K211 HydrophobicContact SD-CG 3.96Å; K211-I213 VanDerWaalsContact C-N 3.29Å; K211-I213 PolarHBondContact O-N 2.76Å; K211-D214 PolarHBondContact O-N 2.89Å; K211-E393 IonicContact NZ-OE2 2.71Å; K211-E393 PolarHBondContact NZ-OE2 3.29Å |
| 212 | A | 94.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 18 Ų | 18 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.7 | -13.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T210 W216 P301 R304 | T210-A212 PolarHBondContact O-N 3.01Å; A212-W216 PolarHBondContact O-N 2.97Å; A212-P301 HydrophobicContact CB-CB 3.99Å; A212-P301 WeakPolarHBondContact CB-O 3.2Å; A212-R304 WeakPolarHBondContact O-CD 3.34Å; A212-R304 PolarHBondContact O-NH1 3.32Å |
| 213 | I | 93.8 | Very high | 89 | Confident | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.5 | -34.9 | 176.2 | 75.1 | -167.7 | 0 | 0 | 0 | 111.9 | L149 R151 Y209 T210 K211 A217 | L149-I213 HydrophobicContact CD1-CD1 4.47Å; R151-I213 HydrophobicContact CG-CD1 4.01Å; Y209-I213 HydrophobicContact CD1-CD1 3.91Å; Y209-I213 HydrophobicContact CG-CD1 4.45Å; T210-I213 WeakPolarHBondContact O-CG1 3.43Å; T210-I213 PolarHBondContact O-N 3.04Å; K211-I213 VanDerWaalsContact C-N 3.29Å; K211-I213 PolarHBondContact O-N 2.76Å; I213-A217 PolarHBondContact O-N 3.06Å |
| 214 | D | 96.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.3 | -38.8 | 176.1 | -70.4 | -22.9 | 0 | 0 | 0 | 110.3 | L140 H144 L149 H150 R151 L153 K211 W216 A217 A218 | L140-D214 HydrophobicContact CD2-CB 4.31Å; H144-D214 IonicContact CD2-OD2 3.48Å; H144-D214 IonicContact CE1-OD2 2.75Å; H144-D214 IonicContact NE2-OD2 3.71Å; H144-D214 PolarHBondContact NE2-OD2 3.1Å; L149-D214 WeakPolarHBondContact CA-OD2 3.49Å; H150-D214 PolarHBondContact N-OD1 2.78Å; H150-D214 PolarHBondContact N-OD2 2.62Å; R151-D214 PolarHBondContact N-OD1 3.1Å; L153-D214 HydrophobicContact CD1-CB 3.61Å; K211-D214 PolarHBondContact O-N 2.89Å; D214-W216 VanDerWaalsContact C-N 3.34Å; D214-W216 PolarHBondContact O-N 3.36Å; D214-A217 WeakPolarHBondContact O-CB 3.44Å; D214-A217 PolarHBondContact O-N 3.27Å; D214-A217 VanDerWaalsContact O-N 3.15Å; D214-A218 PolarHBondContact O-N 3.22Å |
| 215 | M | 98.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.5 | -66.7 | -56.6 | -61 | 0 | 0 | 112.7 | L137 L140 A218 G219 I296 R304 L305 A307 A310 | L137-M215 HydrophobicContact CD2-CE 3.56Å; L137-M215 HydrophobicContact CD2-SD 4.23Å; L140-M215 HydrophobicContact CD1-SD 4.38Å; M215-A218 PolarHBondContact O-N 3.07Å; M215-G219 PolarHBondContact O-N 2.86Å; M215-I296 HydrophobicContact CE-CD1 4.35Å; M215-I296 WeakPolarHBondContact O-CG2 3.37Å; M215-R304 HydrophobicContact CB-CG 4.3Å; M215-L305 WeakPolarHBondContact CE-O 3.3Å; M215-A307 HydrophobicContact SD-CB 3.87Å; M215-A307 PolarHBondContact SD-N 2.81Å; M215-A310 HydrophobicContact CE-CB 3.82Å |
| 216 | W | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 173.4 | 170.8 | -82.2 | 0 | 0 | 0 | 111.7 | R198 S199 P200 A212 D214 A218 G219 C220 F232 I244 I248 L297 T298 | R198-W216 PolarHBondContact O-NE1 2.79Å; R198-W216 VanDerWaalsContact O-NE1 3.09Å; S199-W216 VanDerWaalsContact CB-CG 3.5Å; P200-W216 HydrophobicContact CG-CE3 4.25Å; P200-W216 HydrophobicContact CG-CH2 3.81Å; P200-W216 HydrophobicContact CG-CZ2 4.22Å; P200-W216 HydrophobicContact CG-CZ3 3.83Å; A212-W216 PolarHBondContact O-N 2.97Å; D214-W216 VanDerWaalsContact C-N 3.34Å; D214-W216 PolarHBondContact O-N 3.36Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.08Å; W216-G219 PolarHBondContact O-N 3.31Å; W216-C220 PolarHBondContact O-N 3.49Å; W216-F232 AromaticContact CH2-CE2 3.88Å; W216-F232 HydrophobicContact CH2-CE2 3.88Å; W216-F232 AromaticContact CZ2-CD2 3.88Å; W216-F232 HydrophobicContact CZ2-CD2 3.88Å; W216-F232 AromaticContact CZ2-CE2 3.57Å; W216-F232 HydrophobicContact CZ2-CE2 3.57Å; W216-I244 HydrophobicContact CH2-CD1 4.21Å; W216-I244 HydrophobicContact CH2-CG1 4.08Å; W216-I244 HydrophobicContact CH2-CG2 4.11Å; W216-I244 HydrophobicContact CZ2-CD1 3.63Å; W216-I244 HydrophobicContact CZ2-CG1 3.77Å; W216-I248 HydrophobicContact CH2-CG1 4.06Å; W216-I248 HydrophobicContact CZ3-CG1 4.47Å; W216-L297 HydrophobicContact CD2-CD2 4.08Å; W216-L297 HydrophobicContact CE3-CD2 3.97Å; W216-L297 HydrophobicContact CH2-CD2 4.44Å; W216-L297 HydrophobicContact CZ3-CB 4.3Å; W216-L297 HydrophobicContact CZ3-CD2 4.16Å; W216-L297 WeakPolarHBondContact CZ3-O 3.48Å; W216-T298 WeakPolarHBondContact CZ3-O 3.46Å |
| 217 | A | 97.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 15 Ų | 15 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L153 I213 D214 G219 C220 I221 | L153-A217 HydrophobicContact CB-CB 3.75Å; L153-A217 HydrophobicContact CD1-CB 4.39Å; I213-A217 PolarHBondContact O-N 3.06Å; D214-A217 WeakPolarHBondContact O-CB 3.44Å; D214-A217 PolarHBondContact O-N 3.27Å; D214-A217 VanDerWaalsContact O-N 3.15Å; A217-G219 VanDerWaalsContact C-N 3.35Å; A217-G219 PolarHBondContact O-N 2.85Å; A217-C220 PolarHBondContact O-N 3.16Å; A217-I221 WeakPolarHBondContact O-CB 3.45Å; A217-I221 WeakPolarHBondContact O-CD1 3.26Å; A217-I221 WeakPolarHBondContact O-CG1 3.42Å; A217-I221 PolarHBondContact O-N 2.94Å |
| 218 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M133 L136 L140 D214 M215 W216 I221 F222 | M133-A218 HydrophobicContact CE-CB 3.99Å; M133-A218 HydrophobicContact SD-CB 4.3Å; L136-A218 HydrophobicContact CD2-CB 3.71Å; L136-A218 HydrophobicContact CG-CB 4.26Å; L140-A218 HydrophobicContact CD1-CB 4Å; D214-A218 PolarHBondContact O-N 3.22Å; M215-A218 PolarHBondContact O-N 3.07Å; W216-A218 VanDerWaalsContact C-N 3.32Å; W216-A218 PolarHBondContact O-N 3.08Å; A218-I221 PolarHBondContact O-N 2.86Å; A218-F222 WeakPolarHBondContact O-CB 3.35Å; A218-F222 PolarHBondContact O-N 3.43Å |
| 219 | G | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M215 W216 A217 I221 F222 A223 L293 | M215-G219 PolarHBondContact O-N 2.86Å; W216-G219 PolarHBondContact O-N 3.31Å; A217-G219 VanDerWaalsContact C-N 3.35Å; A217-G219 PolarHBondContact O-N 2.85Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.18Å; G219-F222 PolarHBondContact O-N 2.92Å; G219-A223 PolarHBondContact O-N 2.82Å; G219-L293 VanDerWaalsContact O-CD2 3.31Å; G219-L293 WeakPolarHBondContact O-CD2 3.24Å |
| 220 | C | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.6 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | Y197 W216 A217 E224 | Y197-C220 HydrophobicContact CD1-CB 3.93Å; W216-C220 PolarHBondContact O-N 3.49Å; A217-C220 PolarHBondContact O-N 3.16Å; C220-E224 WeakPolarHBondContact O-CB 3.38Å; C220-E224 PolarHBondContact O-N 3.13Å |
| 221 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.4 | -68.9 | 165 | 0 | 0 | 0 | 111 | L115 L136 L153 P155 L158 Y197 A217 A218 G219 E224 M225 | L115-I221 HydrophobicContact CD2-CG2 3.59Å; L136-I221 HydrophobicContact CD2-CG2 4.5Å; L153-I221 HydrophobicContact CB-CD1 4.23Å; P155-I221 HydrophobicContact CG-CG1 4.28Å; L158-I221 HydrophobicContact CD1-CD1 4.01Å; L158-I221 HydrophobicContact CD1-CG2 3.93Å; Y197-I221 HydrophobicContact CD1-CG1 3.83Å; Y197-I221 HydrophobicContact CE1-CG1 3.92Å; A217-I221 WeakPolarHBondContact O-CB 3.45Å; A217-I221 WeakPolarHBondContact O-CD1 3.26Å; A217-I221 WeakPolarHBondContact O-CG1 3.42Å; A217-I221 PolarHBondContact O-N 2.94Å; A218-I221 PolarHBondContact O-N 2.86Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.18Å; I221-E224 PolarHBondContact O-N 3.37Å; I221-M225 HydrophobicContact CG2-CE 4.44Å; I221-M225 WeakPolarHBondContact O-CG 3.5Å; I221-M225 PolarHBondContact O-N 2.91Å |
| 222 | F | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 177.8 | 179.1 | -125.5 | 0 | 0 | 0 | 112.2 | A129 M133 A218 G219 E224 M225 L226 A289 F292 L293 Y315 | A129-F222 HydrophobicContact CB-CD2 4.39Å; A129-F222 HydrophobicContact CB-CE2 4.04Å; M133-F222 HydrophobicContact CB-CD2 3.64Å; M133-F222 HydrophobicContact CB-CE2 4.14Å; M133-F222 HydrophobicContact CB-CG 4.15Å; M133-F222 HydrophobicContact CE-CB 4.03Å; M133-F222 HydrophobicContact CE-CG 4.47Å; M133-F222 HydrophobicContact CG-CB 4.07Å; M133-F222 HydrophobicContact CG-CD1 4.42Å; M133-F222 HydrophobicContact CG-CD2 3.87Å; M133-F222 HydrophobicContact CG-CE2 4.48Å; M133-F222 HydrophobicContact CG-CG 3.85Å; M133-F222 HydrophobicContact SD-CB 3.83Å; M133-F222 HydrophobicContact SD-CG 4.29Å; A218-F222 WeakPolarHBondContact O-CB 3.35Å; A218-F222 PolarHBondContact O-N 3.43Å; G219-F222 PolarHBondContact O-N 2.92Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.21Å; F222-M225 HydrophobicContact CB-CE 4.48Å; F222-M225 HydrophobicContact CD2-CE 4.09Å; F222-M225 PolarHBondContact O-N 2.87Å; F222-L226 HydrophobicContact CD1-CD1 4.43Å; F222-L226 HydrophobicContact CD2-CD1 4.37Å; F222-L226 HydrophobicContact CD2-CG 4.44Å; F222-L226 HydrophobicContact CE1-CD1 3.85Å; F222-L226 HydrophobicContact CE2-CD1 3.83Å; F222-L226 HydrophobicContact CE2-CD2 4.26Å; F222-L226 HydrophobicContact CE2-CG 4.03Å; F222-L226 HydrophobicContact CZ-CD1 3.52Å; F222-L226 HydrophobicContact CZ-CG 4.23Å; F222-L226 WeakPolarHBondContact O-CG 3.41Å; F222-L226 PolarHBondContact O-N 3.44Å; F222-L226 VanDerWaalsContact O-N 3.15Å; F222-A289 HydrophobicContact CE1-CB 4.35Å; F222-A289 HydrophobicContact CZ-CB 4.2Å; F222-F292 AromaticContact CD1-CD1 3.93Å; F222-F292 HydrophobicContact CD1-CD1 3.93Å; F222-F292 HydrophobicContact CD1-CE1 4.07Å; F222-F292 AromaticContact CE1-CD1 3.66Å; F222-F292 HydrophobicContact CE1-CD1 3.66Å; F222-F292 HydrophobicContact CE1-CE1 4.14Å; F222-L293 HydrophobicContact CB-CD2 4.42Å; F222-L293 HydrophobicContact CD1-CD1 4.08Å; F222-L293 HydrophobicContact CD1-CD2 3.63Å; F222-L293 HydrophobicContact CD1-CG 3.68Å; F222-L293 HydrophobicContact CE1-CD1 4.14Å; F222-L293 HydrophobicContact CE1-CD2 4.39Å; F222-L293 HydrophobicContact CE1-CG 3.93Å; F222-L293 HydrophobicContact CG-CD2 4.47Å; F222-Y315 AromaticContact CE1-CE1 3.95Å; F222-Y315 HydrophobicContact CE1-CE1 3.95Å; F222-Y315 HydrophobicContact CE2-CE1 4.19Å; F222-Y315 HydrophobicContact CZ-CD1 4.42Å; F222-Y315 AromaticContact CZ-CE1 3.36Å; F222-Y315 HydrophobicContact CZ-CE1 3.36Å; F222-Y315 AromaticContact CZ-CZ 3.73Å; F222-Y315 WeakPolarHBondContact CZ-OH 3.14Å |
| 223 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G219 L226 T227 L231 L282 L293 | G219-A223 PolarHBondContact O-N 2.82Å; A223-L226 PolarHBondContact O-N 2.88Å; A223-T227 WeakPolarHBondContact O-CG2 3.44Å; A223-T227 PolarHBondContact O-N 3.2Å; A223-T227 PolarHBondContact O-OG1 2.84Å; A223-L231 HydrophobicContact CB-CB 4.28Å; A223-L231 HydrophobicContact CB-CD2 3.85Å; A223-L231 HydrophobicContact CB-CG 4.45Å; A223-L282 HydrophobicContact CB-CD1 4.47Å; A223-L282 HydrophobicContact CB-CD2 4.22Å; A223-L293 HydrophobicContact CB-CD1 4.2Å; A223-L293 HydrophobicContact CB-CD2 4.09Å |
| 224 | E | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 7% | 0.065 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 174.2 | -173.8 | 171.2 | 139.6 | 0 | 0 | 111.9 | L119 Y197 C220 I221 F222 L226 T227 G228 K229 T230 | L119-E224 HydrophobicContact CD1-CG 4.05Å; Y197-E224 PolarHBondContact OH-OE1 3.02Å; Y197-E224 PolarHBondContact OH-OE2 2.99Å; C220-E224 WeakPolarHBondContact O-CB 3.38Å; C220-E224 PolarHBondContact O-N 3.13Å; I221-E224 PolarHBondContact O-N 3.37Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.21Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.89Å; E224-T227 PolarHBondContact O-N 3.44Å; E224-G228 WeakPolarHBondContact O-CA 3.49Å; E224-G228 PolarHBondContact O-N 3.37Å; E224-K229 WeakPolarHBondContact CA-O 3.43Å; E224-T230 WeakPolarHBondContact OE2-CA 3.37Å; E224-T230 VanDerWaalsContact OE2-CB 3.22Å; E224-T230 WeakPolarHBondContact OE2-CB 3.35Å; E224-T230 PolarHBondContact OE2-OG1 3.29Å |
| 225 | M | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175 | -75.8 | -163.3 | -68.8 | 0 | 0 | 113.2 | L115 L119 L124 A129 F132 M133 I221 F222 | L115-M225 HydrophobicContact CD1-CG 3.91Å; L115-M225 HydrophobicContact CD1-SD 3.76Å; L115-M225 HydrophobicContact CD2-CG 3.82Å; L115-M225 HydrophobicContact CD2-SD 3.67Å; L115-M225 HydrophobicContact CG-CG 4.34Å; L115-M225 HydrophobicContact CG-SD 4.36Å; L119-M225 HydrophobicContact CD1-CG 4.42Å; L119-M225 HydrophobicContact CD2-CG 4.45Å; L124-M225 HydrophobicContact CD1-CB 4.17Å; L124-M225 HydrophobicContact CD1-CG 4.06Å; L124-M225 HydrophobicContact CD1-SD 3.9Å; L124-M225 PolarHBondContact N-O 3.36Å; A129-M225 HydrophobicContact CB-CB 3.89Å; A129-M225 WeakPolarHBondContact O-CE 3.32Å; F132-M225 HydrophobicContact CB-CE 4.05Å; F132-M225 HydrophobicContact CB-SD 3.78Å; F132-M225 HydrophobicContact CD2-SD 4.15Å; F132-M225 HydrophobicContact CG-SD 4.48Å; M133-M225 HydrophobicContact CB-CE 4.12Å; I221-M225 HydrophobicContact CG2-CE 4.44Å; I221-M225 WeakPolarHBondContact O-CG 3.5Å; I221-M225 PolarHBondContact O-N 2.91Å; F222-M225 HydrophobicContact CB-CE 4.48Å; F222-M225 HydrophobicContact CD2-CE 4.09Å; F222-M225 PolarHBondContact O-N 2.87Å |
| 226 | L | 98 | Very high | 96.5 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78 | -18.2 | 180 | -65.9 | 173 | 0 | 0 | 0 | 113.9 | E126 A129 F222 A223 E224 I285 A289 L293 | E126-L226 HydrophobicContact CB-CD2 4.06Å; E126-L226 HydrophobicContact CG-CD2 3.89Å; A129-L226 HydrophobicContact CB-CD2 3.53Å; A129-L226 HydrophobicContact CB-CG 4.1Å; F222-L226 HydrophobicContact CD1-CD1 4.43Å; F222-L226 HydrophobicContact CD2-CD1 4.37Å; F222-L226 HydrophobicContact CD2-CG 4.44Å; F222-L226 HydrophobicContact CE1-CD1 3.85Å; F222-L226 HydrophobicContact CE2-CD1 3.83Å; F222-L226 HydrophobicContact CE2-CD2 4.26Å; F222-L226 HydrophobicContact CE2-CG 4.03Å; F222-L226 HydrophobicContact CZ-CD1 3.52Å; F222-L226 HydrophobicContact CZ-CG 4.23Å; F222-L226 WeakPolarHBondContact O-CG 3.41Å; F222-L226 PolarHBondContact O-N 3.44Å; F222-L226 VanDerWaalsContact O-N 3.15Å; A223-L226 PolarHBondContact O-N 2.88Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.89Å; L226-I285 HydrophobicContact CB-CD1 3.63Å; L226-I285 HydrophobicContact CB-CG1 4.36Å; L226-I285 HydrophobicContact CD1-CD1 3.74Å; L226-I285 HydrophobicContact CD1-CG1 4.48Å; L226-I285 HydrophobicContact CD1-CG2 3.91Å; L226-I285 HydrophobicContact CG-CD1 4.33Å; L226-A289 HydrophobicContact CD1-CB 4.27Å; L226-L293 HydrophobicContact CD1-CD1 4.38Å |
| 227 | T | 96.6 | Very high | 95.9 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -121.3 | -13.4 | -172 | 61 | 0 | 0 | 0 | 0 | 115.1 | A223 E224 K229 L282 I285 | A223-T227 WeakPolarHBondContact O-CG2 3.44Å; A223-T227 PolarHBondContact O-N 3.2Å; A223-T227 PolarHBondContact O-OG1 2.84Å; E224-T227 PolarHBondContact O-N 3.44Å; T227-K229 PolarHBondContact O-N 3.45Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 PolarHBondContact OG1-O 3.46Å; T227-L282 HydrophobicContact CG2-CD2 3.74Å; T227-I285 HydrophobicContact CG2-CD1 4.04Å |
| 228 | G | 96 | Very high | 95.5 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 22.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E224 | E224-G228 WeakPolarHBondContact O-CA 3.49Å; E224-G228 PolarHBondContact O-N 3.37Å |
| 229 | K | 94.9 | Very high | 95.2 | Very high | 154 Ų | 154 | 34.2 Ų | 34.2 | 67% | 0.67 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -147.4 | 131 | -171.3 | -65.8 | 174.7 | -170.7 | 165.9 | 0 | 111.9 | E224 T227 L231 | E224-K229 WeakPolarHBondContact CA-O 3.43Å; T227-K229 PolarHBondContact O-N 3.45Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 PolarHBondContact OG1-O 3.46Å; K229-L231 PolarHBondContact O-N 3.45Å |
| 230 | T | 96.3 | Very high | 95 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | trans | -61.1 | 119.2 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 112 | W196 E224 F232 A233 | W196-T230 HydrophobicContact CB-CG2 3.58Å; W196-T230 HydrophobicContact CD2-CG2 3.93Å; W196-T230 HydrophobicContact CE3-CG2 3.74Å; W196-T230 HydrophobicContact CG-CG2 3.91Å; E224-T230 WeakPolarHBondContact OE2-CA 3.37Å; E224-T230 VanDerWaalsContact OE2-CB 3.22Å; E224-T230 WeakPolarHBondContact OE2-CB 3.35Å; E224-T230 PolarHBondContact OE2-OG1 3.29Å; T230-F232 PolarHBondContact O-N 2.74Å; T230-A233 HydrophobicContact CG2-CB 4.24Å | ||
| 231 | L | 96.9 | Very high | 94.7 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -58.2 | -44.6 | -173.8 | 178.8 | 62 | 0 | 0 | 0 | 113.2 | A223 K229 L278 L281 L282 L297 | A223-L231 HydrophobicContact CB-CB 4.28Å; A223-L231 HydrophobicContact CB-CD2 3.85Å; A223-L231 HydrophobicContact CB-CG 4.45Å; K229-L231 PolarHBondContact O-N 3.45Å; L231-L278 HydrophobicContact CD1-CD2 4.42Å; L231-L278 HydrophobicContact CD2-CD2 4.44Å; L231-L281 HydrophobicContact CD1-CB 4.38Å; L231-L281 HydrophobicContact CD1-CD1 4.08Å; L231-L282 HydrophobicContact CD1-CD2 4.13Å; L231-L297 HydrophobicContact CD2-CD1 3.53Å |
| 232 | F | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -126.8 | 83.2 | -178 | -56.9 | -53.8 | 0 | 0 | 0 | 110 | W196 W216 T230 G234 Q240 L243 I244 I248 L281 | W196-F232 WeakPolarHBondContact CA-O 3.4Å; W196-F232 VanDerWaalsContact CB-O 3.31Å; W196-F232 WeakPolarHBondContact CB-O 3.22Å; W216-F232 AromaticContact CH2-CE2 3.88Å; W216-F232 HydrophobicContact CH2-CE2 3.88Å; W216-F232 AromaticContact CZ2-CD2 3.88Å; W216-F232 HydrophobicContact CZ2-CD2 3.88Å; W216-F232 AromaticContact CZ2-CE2 3.57Å; W216-F232 HydrophobicContact CZ2-CE2 3.57Å; T230-F232 PolarHBondContact O-N 2.74Å; F232-G234 PolarHBondContact O-N 2.8Å; F232-Q240 PolarHBondContact O-NE2 2.91Å; F232-Q240 PolarHBondContact O-OE1 3.34Å; F232-L243 HydrophobicContact CD1-CB 4.09Å; F232-I244 HydrophobicContact CD1-CG1 4.42Å; F232-I244 HydrophobicContact CD2-CG1 4.09Å; F232-I244 HydrophobicContact CE2-CG1 4.25Å; F232-I244 HydrophobicContact CG-CG1 4.18Å; F232-I244 HydrophobicContact CZ-CG1 4.49Å; F232-I248 HydrophobicContact CZ-CD1 4.2Å; F232-I248 HydrophobicContact CZ-CG1 4.05Å; F232-L281 HydrophobicContact CE1-CD1 4.46Å |
| 233 | A | 95 | Very high | 94.3 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | -94.1 | 51.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | T230 | T230-A233 HydrophobicContact CG2-CB 4.24Š| ||
| 234 | G | 93.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -71.8 | 142.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W196 F232 | W196-G234 VanDerWaalsContact CD1-O 3.26Å; W196-G234 PolarHBondContact NE1-O 2.8Å; F232-G234 PolarHBondContact O-N 2.8Å | ||
| 235 | A | 89.4 | Confident | 94.1 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 67% | 0.669 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -77.4 | -23.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E239 | A235-E239 WeakPolarHBondContact CA-OE2 3.13Å; A235-E239 VanDerWaalsContact CB-OE2 3.26Å; A235-E239 WeakPolarHBondContact CB-OE2 3.26Å; A235-E239 PolarHBondContact N-OE2 3.24Å |
| 236 | H | 87.3 | Confident | 93.9 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -146.4 | 160.5 | -177.9 | 62.9 | -57.1 | 0 | 0 | 0 | 112.6 | L238 E239 Q240 | H236-L238 PolarHBondContact O-N 3.5Å; H236-L238 VanDerWaalsContact O-N 3.11Å; H236-E239 VanDerWaalsContact CE1-CB 3.42Å; H236-E239 WeakPolarHBondContact CE1-CB 3.33Å; H236-E239 IonicContact CE1-OE2 2.76Å; H236-E239 PolarHBondContact CE1-OE2 2.8Å; H236-E239 WeakPolarHBondContact ND1-CB 3.18Å; H236-E239 IonicContact ND1-OE2 3.66Å; H236-E239 PolarHBondContact ND1-OE2 3.03Å; H236-E239 PolarHBondContact O-N 2.69Å; H236-E239 VanDerWaalsContact O-N 3.09Å; H236-Q240 WeakPolarHBondContact O-CB 3.47Å; H236-Q240 PolarHBondContact O-N 2.95Å |
| 237 | E | 87 | Confident | 93.8 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -52.1 | -38.2 | -172.2 | -78.1 | 70.8 | -165 | 0 | 0 | 113.3 | K195 R198 L203 M241 | K195-E237 VanDerWaalsContact CD-OE1 3.29Å; K195-E237 WeakPolarHBondContact CD-OE1 3.49Å; K195-E237 WeakPolarHBondContact CE-OE1 3.45Å; K195-E237 WeakPolarHBondContact CE-OE2 3.22Å; K195-E237 VanDerWaalsContact NZ-CD 3.31Å; K195-E237 IonicContact NZ-OE1 2.73Å; K195-E237 PolarHBondContact NZ-OE1 3.23Å; K195-E237 VanDerWaalsContact NZ-OE1 3.17Å; K195-E237 IonicContact NZ-OE2 2.87Å; K195-E237 PolarHBondContact NZ-OE2 3Å; R198-E237 IonicContact CZ-OE1 2.88Å; R198-E237 IonicContact NH1-OE1 3.42Å; R198-E237 PolarHBondContact NH1-OE1 3.49Å; L203-E237 HydrophobicContact CD2-CB 4.19Å; L203-E237 HydrophobicContact CD2-CG 3.92Å; E237-M241 WeakPolarHBondContact O-CB 3.37Å; E237-M241 PolarHBondContact O-N 2.8Å |
| 238 | L | 88.9 | Confident | 93.8 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.5 | -40.3 | -178.4 | -173.9 | 62.4 | 0 | 0 | 0 | 112.5 | H236 M241 Q242 I263 Y266 | H236-L238 PolarHBondContact O-N 3.5Å; H236-L238 VanDerWaalsContact O-N 3.11Å; L238-M241 PolarHBondContact O-N 2.77Å; L238-Q242 VanDerWaalsContact O-CG 3.3Å; L238-Q242 WeakPolarHBondContact O-CG 3.29Å; L238-Q242 PolarHBondContact O-N 3.22Å; L238-I263 HydrophobicContact CD1-CB 4.47Å; L238-I263 HydrophobicContact CD1-CG2 3.65Å; L238-Y266 HydrophobicContact CD1-CD2 4.19Å; L238-Y266 HydrophobicContact CD1-CE2 3.85Å; L238-Y266 HydrophobicContact CD2-CE2 4.09Å; L238-Y266 HydrophobicContact CG-CE2 4.16Å |
| 239 | E | 91.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.6 | -37.1 | 175.7 | 176 | -179.3 | -146.9 | 0 | 0 | 111.6 | A235 H236 M241 Q242 L243 | A235-E239 WeakPolarHBondContact CA-OE2 3.13Å; A235-E239 VanDerWaalsContact CB-OE2 3.26Å; A235-E239 WeakPolarHBondContact CB-OE2 3.26Å; A235-E239 PolarHBondContact N-OE2 3.24Å; H236-E239 VanDerWaalsContact CE1-CB 3.42Å; H236-E239 WeakPolarHBondContact CE1-CB 3.33Å; H236-E239 IonicContact CE1-OE2 2.76Å; H236-E239 PolarHBondContact CE1-OE2 2.8Å; H236-E239 WeakPolarHBondContact ND1-CB 3.18Å; H236-E239 IonicContact ND1-OE2 3.66Å; H236-E239 PolarHBondContact ND1-OE2 3.03Å; H236-E239 PolarHBondContact O-N 2.69Å; H236-E239 VanDerWaalsContact O-N 3.09Å; E239-M241 VanDerWaalsContact C-N 3.27Å; E239-M241 PolarHBondContact O-N 3.45Å; E239-Q242 WeakPolarHBondContact O-CB 3.37Å; E239-Q242 PolarHBondContact O-N 3.18Å; E239-Q242 VanDerWaalsContact O-N 3.09Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 2.63Å |
| 240 | Q | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.6 | -45.6 | 170 | -170.5 | 66.3 | 24.7 | 0 | 0 | 110.7 | W196 L203 F232 H236 I244 | W196-Q240 PolarHBondContact O-NE2 3.09Å; L203-Q240 HydrophobicContact CD1-CB 4.18Å; L203-Q240 HydrophobicContact CD1-CG 3.73Å; L203-Q240 HydrophobicContact CD2-CG 4.47Å; F232-Q240 PolarHBondContact O-NE2 2.91Å; F232-Q240 PolarHBondContact O-OE1 3.34Å; H236-Q240 WeakPolarHBondContact O-CB 3.47Å; H236-Q240 PolarHBondContact O-N 2.95Å; Q240-I244 HydrophobicContact CG-CD1 4.47Å; Q240-I244 WeakPolarHBondContact O-CD1 3.22Å; Q240-I244 VanDerWaalsContact O-CG1 3.29Å; Q240-I244 WeakPolarHBondContact O-CG1 3.41Å; Q240-I244 PolarHBondContact O-N 3.28Å |
| 241 | M | 93.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 174.6 | -177.4 | 59.2 | 68.7 | 0 | 0 | 112.8 | P200 L203 L204 E237 L238 E239 I244 L245 L259 I263 F299 | P200-M241 HydrophobicContact CB-CE 4.07Å; P200-M241 HydrophobicContact CB-SD 4.48Å; P200-M241 WeakPolarHBondContact O-CE 3.35Å; L203-M241 HydrophobicContact CB-CE 3.72Å; L203-M241 HydrophobicContact CD1-CE 4.08Å; L204-M241 HydrophobicContact CD1-CE 4.4Å; L204-M241 HydrophobicContact CD2-CE 4.15Å; L204-M241 HydrophobicContact CG-CE 3.82Å; E237-M241 WeakPolarHBondContact O-CB 3.37Å; E237-M241 PolarHBondContact O-N 2.8Å; L238-M241 PolarHBondContact O-N 2.77Å; E239-M241 VanDerWaalsContact C-N 3.27Å; E239-M241 PolarHBondContact O-N 3.45Å; M241-I244 PolarHBondContact O-N 3.07Å; M241-I244 HydrophobicContact SD-CG2 4.48Å; M241-L245 HydrophobicContact CG-CD1 3.79Å; M241-L245 HydrophobicContact CG-CG 4.25Å; M241-L245 WeakPolarHBondContact O-CB 3.48Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.32Å; M241-L245 PolarHBondContact O-N 3.27Å; M241-L245 HydrophobicContact SD-CD1 3.89Å; M241-L245 HydrophobicContact SD-CD2 4.36Å; M241-L245 HydrophobicContact SD-CG 3.87Å; M241-L259 HydrophobicContact SD-CD2 4.28Å; M241-I263 HydrophobicContact CG-CD1 3.49Å; M241-I263 VanDerWaalsContact CG-CD1 3.49Å; M241-F299 HydrophobicContact SD-CE2 4.23Å |
| 242 | Q | 93.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 174.4 | -73.2 | 163.1 | 35.1 | 0 | 0 | 111.9 | L238 E239 I244 L245 E246 Y266 | L238-Q242 VanDerWaalsContact O-CG 3.3Å; L238-Q242 WeakPolarHBondContact O-CG 3.29Å; L238-Q242 PolarHBondContact O-N 3.22Å; E239-Q242 WeakPolarHBondContact O-CB 3.37Å; E239-Q242 PolarHBondContact O-N 3.18Å; E239-Q242 VanDerWaalsContact O-N 3.09Å; Q242-I244 PolarHBondContact O-N 3.1Å; Q242-L245 PolarHBondContact O-N 3.48Å; Q242-L245 VanDerWaalsContact O-N 3.1Å; Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 3.05Å; Q242-Y266 HydrophobicContact CG-CD1 3.77Å; Q242-Y266 HydrophobicContact CG-CE1 3.91Å; Q242-Y266 HydrophobicContact CG-CG 4.19Å; Q242-Y266 VanDerWaalsContact NE2-CE1 3.32Å; Q242-Y266 PolarHBondContact NE2-OH 2.82Å |
| 243 | L | 95.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 178.5 | -67.1 | 172.4 | 0 | 0 | 0 | 111.7 | F232 E239 S247 | F232-L243 HydrophobicContact CD1-CB 4.09Å; E239-L243 WeakPolarHBondContact O-CG 3.49Å; E239-L243 PolarHBondContact O-N 2.63Å; L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-OG 3.29Å |
| 244 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -54 | 171.5 | -72.5 | 170.3 | 0 | 0 | 0 | 111 | P200 L203 W216 F232 Q240 M241 Q242 E246 S247 I248 F299 | P200-I244 HydrophobicContact CB-CG2 4.29Å; P200-I244 HydrophobicContact CG-CD1 4.35Å; P200-I244 HydrophobicContact CG-CG2 3.87Å; L203-I244 HydrophobicContact CD1-CD1 3.95Å; W216-I244 HydrophobicContact CH2-CD1 4.21Å; W216-I244 HydrophobicContact CH2-CG1 4.08Å; W216-I244 HydrophobicContact CH2-CG2 4.11Å; W216-I244 HydrophobicContact CZ2-CD1 3.63Å; W216-I244 HydrophobicContact CZ2-CG1 3.77Å; F232-I244 HydrophobicContact CD1-CG1 4.42Å; F232-I244 HydrophobicContact CD2-CG1 4.09Å; F232-I244 HydrophobicContact CE2-CG1 4.25Å; F232-I244 HydrophobicContact CG-CG1 4.18Å; F232-I244 HydrophobicContact CZ-CG1 4.49Å; Q240-I244 HydrophobicContact CG-CD1 4.47Å; Q240-I244 WeakPolarHBondContact O-CD1 3.22Å; Q240-I244 VanDerWaalsContact O-CG1 3.29Å; Q240-I244 WeakPolarHBondContact O-CG1 3.41Å; Q240-I244 PolarHBondContact O-N 3.28Å; M241-I244 PolarHBondContact O-N 3.07Å; M241-I244 HydrophobicContact SD-CG2 4.48Å; Q242-I244 PolarHBondContact O-N 3.1Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.28Å; I244-S247 PolarHBondContact O-N 2.9Å; I244-I248 PolarHBondContact O-N 3.35Å; I244-F299 HydrophobicContact CG2-CD2 4.39Å |
| 245 | L | 95.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.6 | -15.8 | -175 | -67.2 | 175.1 | 0 | 0 | 0 | 114.8 | M241 Q242 S247 V250 L259 I263 I267 M271 F299 | M241-L245 HydrophobicContact CG-CD1 3.79Å; M241-L245 HydrophobicContact CG-CG 4.25Å; M241-L245 WeakPolarHBondContact O-CB 3.48Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.32Å; M241-L245 PolarHBondContact O-N 3.27Å; M241-L245 HydrophobicContact SD-CD1 3.89Å; M241-L245 HydrophobicContact SD-CD2 4.36Å; M241-L245 HydrophobicContact SD-CG 3.87Å; Q242-L245 PolarHBondContact O-N 3.48Å; Q242-L245 VanDerWaalsContact O-N 3.1Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-V250 HydrophobicContact CD2-CG2 3.6Å; L245-L259 HydrophobicContact CD1-CD2 4.13Å; L245-L259 HydrophobicContact CD2-CD1 3.97Å; L245-I263 HydrophobicContact CD1-CD1 3.93Å; L245-I267 HydrophobicContact CD1-CD1 3.77Å; L245-M271 HydrophobicContact CD2-CE 3.95Å; L245-F299 HydrophobicContact CD2-CD2 4.1Å; L245-F299 HydrophobicContact CD2-CE2 3.71Å |
| 246 | E | 95 | Very high | 93.1 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.9 | -27.8 | 165.4 | -77 | -169.7 | 138.2 | 0 | 0 | 112 | Q242 I244 H275 K276 | Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 3.05Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.28Å; E246-H275 CarbonylContact O-C 3.56Å; E246-H275 WeakPolarHBondContact O-CA 3.33Å; E246-H275 PolarHBondContact O-N 2.91Å; E246-K276 HydrophobicContact CB-CD 4.47Å; E246-K276 PolarHBondContact O-N 2.76Å; E246-K276 IonicContact OE1-NZ 3.48Å; E246-K276 PolarHBondContact OE1-NZ 3.28Å; E246-K276 WeakPolarHBondContact OE2-CE 3.42Å; E246-K276 IonicContact OE2-NZ 2.4Å; E246-K276 PolarHBondContact OE2-NZ 3.01Å |
| 247 | S | 95.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -119.1 | -32.6 | -158.4 | -43.5 | 0 | 0 | 0 | 0 | 114.5 | L243 I244 L245 P274 K276 L281 | L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-OG 3.29Å; I244-S247 PolarHBondContact O-N 2.9Å; L245-S247 VanDerWaalsContact C-N 3.29Å; S247-P274 VanDerWaalsContact O-CB 3.27Å; S247-P274 WeakPolarHBondContact O-CB 3.19Å; S247-K276 VanDerWaalsContact CA-O 3.28Å; S247-K276 WeakPolarHBondContact CA-O 3.47Å; S247-K276 WeakPolarHBondContact CB-O 3.35Å; S247-L281 WeakPolarHBondContact OG-CD1 3.46Å |
| 248 | I | 96.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -107.4 | 131.7 | -178.6 | -57.5 | -48.9 | 0 | 0 | 0 | 109.4 | W216 F232 I244 L278 L297 F299 | W216-I248 HydrophobicContact CH2-CG1 4.06Å; W216-I248 HydrophobicContact CZ3-CG1 4.47Å; F232-I248 HydrophobicContact CZ-CD1 4.2Å; F232-I248 HydrophobicContact CZ-CG1 4.05Å; I244-I248 PolarHBondContact O-N 3.35Å; I248-L278 HydrophobicContact CD1-CD1 3.91Å; I248-L278 HydrophobicContact CD1-CD2 3.91Å; I248-L278 HydrophobicContact CD1-CG 3.93Å; I248-L297 HydrophobicContact CD1-CB 4Å; I248-L297 WeakPolarHBondContact CD1-O 3.2Å; I248-L297 WeakPolarHBondContact CG1-O 3.36Å; I248-L297 WeakPolarHBondContact CG2-O 3.5Å; I248-F299 HydrophobicContact CG2-CB 4.05Å |
| 249 | P | 95.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | trans | -71.5 | 145.1 | 177.7 | 30.2 | -35.7 | 0 | 0 | 0 | 112.3 | V251 M271 T272 F299 | P249-V251 HydrophobicContact CB-CG2 4.25Å; P249-V251 HydrophobicContact CG-CG2 4.45Å; P249-M271 WeakPolarHBondContact CA-O 3.48Å; P249-T272 WeakPolarHBondContact CB-O 3.33Å; P249-F299 WeakPolarHBondContact O-CB 3.47Å | ||
| 250 | V | 95.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | trans | -106.6 | 93.6 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | L245 D255 R256 L259 M271 F299 | L245-V250 HydrophobicContact CD2-CG2 3.6Å; V250-D255 HydrophobicContact CG1-CB 3.87Å; V250-R256 HydrophobicContact CG1-CB 4.03Å; V250-L259 HydrophobicContact CG1-CD1 4.07Å; V250-L259 HydrophobicContact CG2-CD1 3.98Å; V250-M271 HydrophobicContact CB-CB 4.22Å; V250-M271 HydrophobicContact CB-CE 3.83Å; V250-M271 HydrophobicContact CG1-CE 4.45Å; V250-M271 HydrophobicContact CG2-CE 3.56Å; V250-M271 PolarHBondContact N-O 2.92Å; V250-F299 HydrophobicContact CG1-CD1 4.27Å; V250-F299 HydrophobicContact CG2-CB 4.27Å; V250-F299 HydrophobicContact CG2-CD1 4.25Å; V250-F299 HydrophobicContact CG2-CD2 3.72Å; V250-F299 HydrophobicContact CG2-CE2 4.12Å; V250-F299 HydrophobicContact CG2-CG 3.8Å | ||
| 251 | V | 93.6 | Very high | 93.1 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | trans | -78.8 | -37.3 | -171.8 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | P249 | P249-V251 HydrophobicContact CB-CG2 4.25Å; P249-V251 HydrophobicContact CG-CG2 4.45Å | ||
| 252 | H | 92.6 | Very high | 92.7 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | trans | -87.8 | 130.1 | -177.5 | -56.1 | -69.4 | 0 | 0 | 0 | 112.3 | E254 D255 R256 D303 | H252-E254 HydrophobicContact CB-CG 4Å; H252-E254 PolarHBondContact O-N 3.44Å; H252-D255 PolarHBondContact O-N 2.95Å; H252-R256 PolarHBondContact O-N 3.13Å; H252-R256 VanDerWaalsContact O-N 3.12Å; H252-D303 IonicContact CD2-OD1 3.28Å; H252-D303 IonicContact CD2-OD2 2.69Å; H252-D303 PolarHBondContact CD2-OD2 2.92Å; H252-D303 IonicContact CE1-OD1 2.63Å; H252-D303 IonicContact CE1-OD2 2.8Å; H252-D303 IonicContact NE2-OD1 3.24Å; H252-D303 PolarHBondContact NE2-OD1 3.01Å; H252-D303 IonicContact NE2-OD2 4Å; H252-D303 PolarHBondContact NE2-OD2 3.45Å | ||
| 253 | E | 92.1 | Very high | 92.4 | Very high | 111 Ų | 111 | 45.5 Ų | 45.5 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.1 | -23.9 | 178 | 179.3 | 62.6 | 176.5 | 0 | 0 | 112.7 | R256 Q257 | E253-R256 PolarHBondContact O-N 2.85Å; E253-R256 IonicContact OE1-NH1 3.75Å; E253-R256 PolarHBondContact OE1-NH1 3.11Å; E253-R256 WeakPolarHBondContact OE2-CD 3.43Å; E253-R256 IonicContact OE2-CZ 2.73Å; E253-R256 IonicContact OE2-NE 2.77Å; E253-R256 IonicContact OE2-NH1 2.75Å; E253-R256 PolarHBondContact OE2-NH1 2.91Å; E253-Q257 WeakPolarHBondContact O-CB 3.25Å; E253-Q257 PolarHBondContact O-N 3.46Å |
| 254 | E | 91.3 | Very high | 92 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.8 | -44 | 175.3 | 60.3 | -165.7 | -153.5 | 0 | 0 | 112.8 | H252 Q257 E258 R399 | H252-E254 HydrophobicContact CB-CG 4Å; H252-E254 PolarHBondContact O-N 3.44Å; E254-Q257 PolarHBondContact O-N 2.9Å; E254-E258 PolarHBondContact O-N 3.3Å; E254-R399 WeakPolarHBondContact OE1-CD 3.47Å; E254-R399 IonicContact OE1-CZ 2.94Å; E254-R399 IonicContact OE1-NE 2.72Å; E254-R399 IonicContact OE1-NH1 3.31Å; E254-R399 PolarHBondContact OE1-NH1 3.4Å |
| 255 | D | 91.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 170.8 | -84.8 | -47.8 | 0 | 0 | 0 | 110.5 | R201 V250 H252 Q257 E258 L259 F299 S300 | R201-D255 IonicContact CZ-OD1 3.39Å; R201-D255 IonicContact NH2-OD1 3.99Å; R201-D255 PolarHBondContact NH2-OD1 2.85Å; V250-D255 HydrophobicContact CG1-CB 3.87Å; H252-D255 PolarHBondContact O-N 2.95Å; D255-Q257 VanDerWaalsContact C-N 3.33Å; D255-Q257 PolarHBondContact O-N 3.05Å; D255-E258 PolarHBondContact O-N 3.26Å; D255-L259 WeakPolarHBondContact O-CB 3.17Å; D255-L259 WeakPolarHBondContact O-CG 3.35Å; D255-L259 PolarHBondContact O-N 2.97Å; D255-F299 HydrophobicContact CB-CD1 3.9Å; D255-F299 HydrophobicContact CB-CE1 3.74Å; D255-S300 WeakPolarHBondContact OD2-CB 3.47Å |
| 256 | R | 92.8 | Very high | 90.8 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 176.7 | -176.1 | 175.5 | 159.4 | -79.9 | -12.9 | 112.3 | V250 H252 E253 L259 L260 I267 R268 N269 | V250-R256 HydrophobicContact CG1-CB 4.03Å; H252-R256 PolarHBondContact O-N 3.13Å; H252-R256 VanDerWaalsContact O-N 3.12Å; E253-R256 PolarHBondContact O-N 2.85Å; E253-R256 IonicContact OE1-NH1 3.75Å; E253-R256 PolarHBondContact OE1-NH1 3.11Å; E253-R256 WeakPolarHBondContact OE2-CD 3.43Å; E253-R256 IonicContact OE2-CZ 2.73Å; E253-R256 IonicContact OE2-NE 2.77Å; E253-R256 IonicContact OE2-NH1 2.75Å; E253-R256 PolarHBondContact OE2-NH1 2.91Å; R256-L259 WeakPolarHBondContact O-CB 3.46Å; R256-L260 WeakPolarHBondContact O-CG 3.44Å; R256-L260 PolarHBondContact O-N 3.12Å; R256-I267 HydrophobicContact CG-CG2 3.88Å; R256-R268 PolarHBondContact NE-O 3.27Å; R256-R268 PolarHBondContact NH2-O 3.21Å; R256-N269 PolarHBondContact NE-O 3.43Å |
| 257 | Q | 91.3 | Very high | 90.5 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.4 | -32.5 | 176.8 | -177.8 | 58 | 99.1 | 0 | 0 | 112.1 | E253 E254 D255 N261 | E253-Q257 WeakPolarHBondContact O-CB 3.25Å; E253-Q257 PolarHBondContact O-N 3.46Å; E254-Q257 PolarHBondContact O-N 2.9Å; D255-Q257 VanDerWaalsContact C-N 3.33Å; D255-Q257 PolarHBondContact O-N 3.05Å; Q257-N261 PolarHBondContact O-N 3.49Å; Q257-N261 PolarHBondContact O-ND2 3Å |
| 258 | E | 89.4 | Confident | 90.2 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 168.7 | -173.6 | 174.1 | -175.1 | 0 | 0 | 110.9 | R201 E254 D255 L260 N261 V262 | R201-E258 IonicContact CZ-OE1 2.72Å; R201-E258 IonicContact CZ-OE2 3.44Å; R201-E258 VanDerWaalsContact CZ-OE2 3.22Å; R201-E258 IonicContact NH1-OE1 3.96Å; R201-E258 PolarHBondContact NH1-OE1 3.43Å; R201-E258 IonicContact NH1-OE2 3.41Å; R201-E258 PolarHBondContact NH1-OE2 3.18Å; R201-E258 IonicContact NH2-OE2 3.71Å; R201-E258 PolarHBondContact NH2-OE2 3.15Å; E254-E258 PolarHBondContact O-N 3.3Å; D255-E258 PolarHBondContact O-N 3.26Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.39Å; E258-N261 WeakPolarHBondContact O-CB 3.45Å; E258-N261 PolarHBondContact O-N 3.26Å; E258-V262 PolarHBondContact O-N 3.41Å |
| 259 | L | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.6 | -44.2 | 174.7 | -79.9 | 166.4 | 0 | 0 | 0 | 112.9 | L204 M241 L245 V250 D255 R256 N261 V262 I263 I267 M271 F299 | L204-L259 HydrophobicContact CD1-CD2 3.9Å; L204-L259 HydrophobicContact CD1-CG 4.27Å; L204-L259 HydrophobicContact CD2-CD2 4.02Å; L204-L259 HydrophobicContact CG-CD2 4.5Å; M241-L259 HydrophobicContact SD-CD2 4.28Å; L245-L259 HydrophobicContact CD1-CD2 4.13Å; L245-L259 HydrophobicContact CD2-CD1 3.97Å; V250-L259 HydrophobicContact CG1-CD1 4.07Å; V250-L259 HydrophobicContact CG2-CD1 3.98Å; D255-L259 WeakPolarHBondContact O-CB 3.17Å; D255-L259 WeakPolarHBondContact O-CG 3.35Å; D255-L259 PolarHBondContact O-N 2.97Å; R256-L259 WeakPolarHBondContact O-CB 3.46Å; L259-N261 PolarHBondContact O-N 3.45Å; L259-V262 PolarHBondContact O-N 3.18Å; L259-V262 VanDerWaalsContact O-N 3.12Å; L259-I263 HydrophobicContact CD2-CD1 3.9Å; L259-I263 HydrophobicContact CD2-CG1 4.09Å; L259-I263 PolarHBondContact O-N 3.19Å; L259-I267 HydrophobicContact CB-CD1 3.69Å; L259-I267 HydrophobicContact CB-CG1 3.94Å; L259-I267 HydrophobicContact CD1-CD1 4.21Å; L259-I267 HydrophobicContact CD2-CD1 4.12Å; L259-I267 HydrophobicContact CG-CD1 4.26Å; L259-M271 HydrophobicContact CD1-CE 4.07Å; L259-F299 HydrophobicContact CD1-CE1 4.12Å; L259-F299 HydrophobicContact CD1-CE2 4.08Å; L259-F299 HydrophobicContact CD1-CZ 3.61Å; L259-F299 HydrophobicContact CD2-CZ 4.05Å; L259-F299 HydrophobicContact CG-CZ 3.99Å |
| 260 | L | 90.7 | Very high | 89.2 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -27.9 | 175.6 | -82.9 | 167.7 | 0 | 0 | 0 | 113.6 | R256 E258 P264 I267 | R256-L260 WeakPolarHBondContact O-CG 3.44Å; R256-L260 PolarHBondContact O-N 3.12Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-L260 PolarHBondContact O-N 3.39Å; L260-P264 WeakPolarHBondContact O-CB 3.49Å; L260-P264 WeakPolarHBondContact O-CD 3.39Å; L260-I267 HydrophobicContact CD2-CB 3.82Å; L260-I267 HydrophobicContact CD2-CG1 4.49Å; L260-I267 HydrophobicContact CD2-CG2 3.94Å; L260-I267 HydrophobicContact CG-CB 4.15Å; L260-I267 HydrophobicContact CG-CG2 3.84Å |
| 261 | N | 87.3 | Confident | 89 | Confident | 125 Ų | 125 | 66.7 Ų | 66.7 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -82 | -20.7 | 177.7 | -67.9 | -43.5 | 0 | 0 | 0 | 112.9 | Q257 E258 L259 | Q257-N261 PolarHBondContact O-N 3.49Å; Q257-N261 PolarHBondContact O-ND2 3Å; E258-N261 WeakPolarHBondContact O-CB 3.45Å; E258-N261 PolarHBondContact O-N 3.26Å; L259-N261 PolarHBondContact O-N 3.45Å |
| 262 | V | 84.9 | Confident | 88.9 | Confident | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -106.7 | -44.9 | -173 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | L204 E258 L259 L476 | L204-V262 HydrophobicContact CD2-CB 4.26Å; L204-V262 HydrophobicContact CD2-CG1 4.04Å; E258-V262 PolarHBondContact O-N 3.41Å; L259-V262 PolarHBondContact O-N 3.18Å; L259-V262 VanDerWaalsContact O-N 3.12Å; V262-L476 HydrophobicContact CG1-CD1 3.64Å; V262-L476 HydrophobicContact CG1-CD2 4.17Å; V262-L476 HydrophobicContact CG2-CD1 4.42Å; V262-L476 HydrophobicContact CG2-CD2 4.28Å |
| 263 | I | 87.9 | Confident | 88.8 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -136.1 | 54.8 | -177.3 | 51.3 | 163.1 | 0 | 0 | 0 | 113.2 | L238 M241 L245 L259 V265 Y266 I267 | L238-I263 HydrophobicContact CD1-CB 4.47Å; L238-I263 HydrophobicContact CD1-CG2 3.65Å; M241-I263 HydrophobicContact CG-CD1 3.49Å; M241-I263 VanDerWaalsContact CG-CD1 3.49Å; L245-I263 HydrophobicContact CD1-CD1 3.93Å; L259-I263 HydrophobicContact CD2-CD1 3.9Å; L259-I263 HydrophobicContact CD2-CG1 4.09Å; L259-I263 PolarHBondContact O-N 3.19Å; I263-V265 PolarHBondContact O-N 3.18Å; I263-Y266 HydrophobicContact CB-CD2 4.37Å; I263-Y266 PolarHBondContact O-N 3.45Å; I263-Y266 VanDerWaalsContact O-N 3.15Å; I263-I267 HydrophobicContact CD1-CD1 4.3Å; I263-I267 HydrophobicContact CG1-CD1 4.28Å | ||
| 264 | P | 86.7 | Confident | 88.8 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 49% | 0.494 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -55.2 | -22.6 | -171.8 | 18.9 | -32.1 | 0 | 0 | 0 | 115.9 | L260 Y266 | L260-P264 WeakPolarHBondContact O-CB 3.49Å; L260-P264 WeakPolarHBondContact O-CD 3.39Å; P264-Y266 PolarHBondContact O-N 3.45Å |
| 265 | V | 86.4 | Confident | 88.9 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 75% | 0.745 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.8 | -27.8 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | I263 | I263-V265 PolarHBondContact O-N 3.18Š|
| 266 | Y | 80.9 | Confident | 89 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -104.6 | -3.1 | -172.4 | -59.3 | -77.2 | 0 | 0 | 0 | 113.9 | L238 Q242 I263 P264 | L238-Y266 HydrophobicContact CD1-CD2 4.19Å; L238-Y266 HydrophobicContact CD1-CE2 3.85Å; L238-Y266 HydrophobicContact CD2-CE2 4.09Å; L238-Y266 HydrophobicContact CG-CE2 4.16Å; Q242-Y266 HydrophobicContact CG-CD1 3.77Å; Q242-Y266 HydrophobicContact CG-CE1 3.91Å; Q242-Y266 HydrophobicContact CG-CG 4.19Å; Q242-Y266 VanDerWaalsContact NE2-CE1 3.32Å; Q242-Y266 PolarHBondContact NE2-OH 2.82Å; I263-Y266 HydrophobicContact CB-CD2 4.37Å; I263-Y266 PolarHBondContact O-N 3.45Å; I263-Y266 VanDerWaalsContact O-N 3.15Å; P264-Y266 PolarHBondContact O-N 3.45Å |
| 267 | I | 88.6 | Confident | 89.2 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | trans | -99.2 | 123.3 | -170.5 | -47.4 | -53.6 | 0 | 0 | 0 | 110.9 | L245 R256 L259 L260 I263 M271 | L245-I267 HydrophobicContact CD1-CD1 3.77Å; R256-I267 HydrophobicContact CG-CG2 3.88Å; L259-I267 HydrophobicContact CB-CD1 3.69Å; L259-I267 HydrophobicContact CB-CG1 3.94Å; L259-I267 HydrophobicContact CD1-CD1 4.21Å; L259-I267 HydrophobicContact CD2-CD1 4.12Å; L259-I267 HydrophobicContact CG-CD1 4.26Å; L260-I267 HydrophobicContact CD2-CB 3.82Å; L260-I267 HydrophobicContact CD2-CG1 4.49Å; L260-I267 HydrophobicContact CD2-CG2 3.94Å; L260-I267 HydrophobicContact CG-CB 4.15Å; L260-I267 HydrophobicContact CG-CG2 3.84Å; I263-I267 HydrophobicContact CD1-CD1 4.3Å; I263-I267 HydrophobicContact CG1-CD1 4.28Å; I267-M271 HydrophobicContact CB-SD 4.5Å; I267-M271 HydrophobicContact CD1-CE 4.07Å; I267-M271 HydrophobicContact CD1-SD 4.38Å; I267-M271 HydrophobicContact CG2-CE 3.96Å; I267-M271 HydrophobicContact CG2-SD 3.94Å | ||
| 268 | R | 88.3 | Confident | 89.3 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | trans | -83.1 | 170.4 | 179.3 | -54.2 | -173.8 | -64.3 | -91.1 | 7.1 | 111.4 | R256 D270 M271 E273 H275 | R256-R268 PolarHBondContact NE-O 3.27Å; R256-R268 PolarHBondContact NH2-O 3.21Å; R268-D270 VanDerWaalsContact CB-O 3.28Å; R268-D270 WeakPolarHBondContact CB-O 3.25Å; R268-D270 PolarHBondContact NE-O 2.86Å; R268-D270 VanDerWaalsContact NE-O 3.08Å; R268-M271 HydrophobicContact CB-CG 3.81Å; R268-M271 HydrophobicContact CB-SD 4.3Å; R268-M271 HydrophobicContact CG-CG 4.32Å; R268-M271 HydrophobicContact CG-SD 4.41Å; R268-E273 PolarHBondContact NH2-O 3.17Å; R268-H275 WeakPolarHBondContact CD-NE2 3.4Å; R268-H275 PolarHBondContact NH1-NE2 3.3Å | ||
| 269 | N | 84.4 | Confident | 89.6 | Confident | 156 Ų | 156 | 68.7 Ų | 68.7 | 83% | 0.834 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -66.1 | -30.7 | 168.1 | -75 | -7 | 0 | 0 | 0 | 112.3 | R256 | R256-N269 PolarHBondContact NE-O 3.43Š|
| 270 | D | 88 | Confident | 89.8 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | trans | -134.8 | 130 | 176 | -166.8 | -16.9 | 0 | 0 | 0 | 109.4 | R268 T272 | R268-D270 VanDerWaalsContact CB-O 3.28Å; R268-D270 WeakPolarHBondContact CB-O 3.25Å; R268-D270 PolarHBondContact NE-O 2.86Å; R268-D270 VanDerWaalsContact NE-O 3.08Å; D270-T272 WeakPolarHBondContact OD1-CB 3.42Å; D270-T272 PolarHBondContact OD1-N 3.32Å; D270-T272 PolarHBondContact OD1-OG1 3.08Å | ||
| 271 | M | 90.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.015 | 39% | 0.393 | C | S | . | . | trans | -134.8 | 19.4 | 175.4 | -54.1 | -160.4 | -38.8 | 0 | 0 | 111.8 | L245 P249 V250 L259 I267 R268 E273 | L245-M271 HydrophobicContact CD2-CE 3.95Å; P249-M271 WeakPolarHBondContact CA-O 3.48Å; V250-M271 HydrophobicContact CB-CB 4.22Å; V250-M271 HydrophobicContact CB-CE 3.83Å; V250-M271 HydrophobicContact CG1-CE 4.45Å; V250-M271 HydrophobicContact CG2-CE 3.56Å; V250-M271 PolarHBondContact N-O 2.92Å; L259-M271 HydrophobicContact CD1-CE 4.07Å; I267-M271 HydrophobicContact CB-SD 4.5Å; I267-M271 HydrophobicContact CD1-CE 4.07Å; I267-M271 HydrophobicContact CD1-SD 4.38Å; I267-M271 HydrophobicContact CG2-CE 3.96Å; I267-M271 HydrophobicContact CG2-SD 3.94Å; R268-M271 HydrophobicContact CB-CG 3.81Å; R268-M271 HydrophobicContact CB-SD 4.3Å; R268-M271 HydrophobicContact CG-CG 4.32Å; R268-M271 HydrophobicContact CG-SD 4.41Å; M271-E273 VanDerWaalsContact C-N 3.28Å | ||
| 272 | T | 90.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 69.6 Ų | 69.6 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -68.9 | -29.5 | 171.3 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | P249 D270 | P249-T272 WeakPolarHBondContact CB-O 3.33Å; D270-T272 WeakPolarHBondContact OD1-CB 3.42Å; D270-T272 PolarHBondContact OD1-N 3.32Å; D270-T272 PolarHBondContact OD1-OG1 3.08Å |
| 273 | E | 91.3 | Very high | 90.6 | Very high | 157 Ų | 157 | 72.9 Ų | 72.9 | 73% | 0.734 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -100.6 | 128.5 | 165.1 | -65.8 | -175.6 | 171.2 | 0 | 0 | 110.8 | R268 M271 | R268-E273 PolarHBondContact NH2-O 3.17Å; M271-E273 VanDerWaalsContact C-N 3.28Å |
| 274 | P | 93.3 | Very high | 90.6 | Very high | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | trans | -75.1 | 160.8 | 171.2 | 33.1 | -35.4 | 0 | 0 | 0 | 111.4 | S247 P277 | S247-P274 VanDerWaalsContact O-CB 3.27Å; S247-P274 WeakPolarHBondContact O-CB 3.19Å; P274-P277 HydrophobicContact CG-CB 3.8Å | ||
| 275 | H | 92.8 | Very high | 91 | Very high | 115 Ų | 115 | 73.8 Ų | 73.8 | 53% | 0.532 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -83.9 | -25.4 | 175 | -77.8 | -13.8 | 0 | 0 | 0 | 113.4 | E246 R268 | E246-H275 CarbonylContact O-C 3.56Å; E246-H275 WeakPolarHBondContact O-CA 3.33Å; E246-H275 PolarHBondContact O-N 2.91Å; R268-H275 WeakPolarHBondContact CD-NE2 3.4Å; R268-H275 PolarHBondContact NH1-NE2 3.3Å |
| 276 | K | 94.3 | Very high | 91.5 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -137.5 | 72.4 | 179.6 | -62 | 174.5 | -166.8 | 161.8 | 0 | 108.5 | E246 S247 L281 | E246-K276 HydrophobicContact CB-CD 4.47Å; E246-K276 PolarHBondContact O-N 2.76Å; E246-K276 IonicContact OE1-NZ 3.48Å; E246-K276 PolarHBondContact OE1-NZ 3.28Å; E246-K276 WeakPolarHBondContact OE2-CE 3.42Å; E246-K276 IonicContact OE2-NZ 2.4Å; E246-K276 PolarHBondContact OE2-NZ 3.01Å; S247-K276 VanDerWaalsContact CA-O 3.28Å; S247-K276 WeakPolarHBondContact CA-O 3.47Å; S247-K276 WeakPolarHBondContact CB-O 3.35Å; K276-L281 HydrophobicContact CB-CD2 4.23Å |
| 277 | P | 94.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 69 Ų | 69 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | trans | -53.5 | 157.5 | -177.2 | 22.9 | -34.4 | 0 | 0 | 0 | 112.1 | P274 T279 Q280 L281 | P274-P277 HydrophobicContact CG-CB 3.8Å; P277-T279 WeakPolarHBondContact CB-OG1 3.01Å; P277-T279 WeakPolarHBondContact CG-OG1 3.29Å; P277-T279 PolarHBondContact O-N 3.38Å; P277-T279 VanDerWaalsContact O-N 3.17Å; P277-Q280 HydrophobicContact CG-CB 4.37Å; P277-Q280 WeakPolarHBondContact O-CA 3.43Å; P277-Q280 WeakPolarHBondContact O-CB 3.38Å; P277-Q280 PolarHBondContact O-N 2.78Å; P277-L281 PolarHBondContact O-N 3.4Å | ||
| 278 | L | 95.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -55.3 | -37.1 | -178.9 | -69.7 | -178.1 | 0 | 0 | 0 | 112.3 | L231 I248 Q280 L281 L282 L290 E294 L297 | L231-L278 HydrophobicContact CD1-CD2 4.42Å; L231-L278 HydrophobicContact CD2-CD2 4.44Å; I248-L278 HydrophobicContact CD1-CD1 3.91Å; I248-L278 HydrophobicContact CD1-CD2 3.91Å; I248-L278 HydrophobicContact CD1-CG 3.93Å; L278-Q280 PolarHBondContact O-N 3.23Å; L278-L281 HydrophobicContact CD2-CD1 4.43Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.08Å; L278-L282 HydrophobicContact CB-CD1 4.23Å; L278-L282 HydrophobicContact CD2-CD1 4.45Å; L278-L282 VanDerWaalsContact O-CB 3.23Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 WeakPolarHBondContact O-CG 3.49Å; L278-L282 PolarHBondContact O-N 3.14Å; L278-L290 HydrophobicContact CB-CD1 3.83Å; L278-E294 HydrophobicContact CB-CG 4.41Å; L278-E294 HydrophobicContact CD1-CG 3.92Å; L278-L297 HydrophobicContact CD1-CB 4.14Å; L278-L297 HydrophobicContact CD1-CD1 3.95Å; L278-L297 HydrophobicContact CD2-CD1 4.42Å |
| 279 | T | 94.8 | Very high | 93.1 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -44.7 | -34.5 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | P277 L290 | P277-T279 WeakPolarHBondContact CB-OG1 3.01Å; P277-T279 WeakPolarHBondContact CG-OG1 3.29Å; P277-T279 PolarHBondContact O-N 3.38Å; P277-T279 VanDerWaalsContact O-N 3.17Å; T279-L290 HydrophobicContact CG2-CD2 3.54Å |
| 280 | Q | 94.4 | Very high | 93.7 | Very high | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -90.4 | -32.9 | -179 | -173.6 | -179.6 | 1.8 | 0 | 0 | 112.8 | P277 L278 L282 | P277-Q280 HydrophobicContact CG-CB 4.37Å; P277-Q280 WeakPolarHBondContact O-CA 3.43Å; P277-Q280 WeakPolarHBondContact O-CB 3.38Å; P277-Q280 PolarHBondContact O-N 2.78Å; L278-Q280 PolarHBondContact O-N 3.23Å; Q280-L282 VanDerWaalsContact C-N 3.34Å |
| 281 | L | 93.4 | Very high | 94.2 | Very high | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -75.9 | -25.6 | 175.5 | -63.8 | -173 | 0 | 0 | 0 | 112.6 | L231 F232 S247 K276 P277 L278 P283 | L231-L281 HydrophobicContact CD1-CB 4.38Å; L231-L281 HydrophobicContact CD1-CD1 4.08Å; F232-L281 HydrophobicContact CE1-CD1 4.46Å; S247-L281 WeakPolarHBondContact OG-CD1 3.46Å; K276-L281 HydrophobicContact CB-CD2 4.23Å; P277-L281 PolarHBondContact O-N 3.4Å; L278-L281 HydrophobicContact CD2-CD1 4.43Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.08Å; L281-P283 WeakPolarHBondContact O-CD 3.36Å |
| 282 | L | 94.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -118.4 | 56.1 | -171.7 | -59.1 | -179.7 | 0 | 0 | 0 | 112.4 | A223 T227 L231 L278 Q280 G284 I285 L290 L293 | A223-L282 HydrophobicContact CB-CD1 4.47Å; A223-L282 HydrophobicContact CB-CD2 4.22Å; T227-L282 HydrophobicContact CG2-CD2 3.74Å; L231-L282 HydrophobicContact CD1-CD2 4.13Å; L278-L282 HydrophobicContact CB-CD1 4.23Å; L278-L282 HydrophobicContact CD2-CD1 4.45Å; L278-L282 VanDerWaalsContact O-CB 3.23Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 WeakPolarHBondContact O-CG 3.49Å; L278-L282 PolarHBondContact O-N 3.14Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; L282-G284 PolarHBondContact O-N 2.96Å; L282-I285 HydrophobicContact CB-CD1 3.67Å; L282-I285 HydrophobicContact CB-CG1 4.14Å; L282-I285 HydrophobicContact CD1-CD1 4.18Å; L282-I285 HydrophobicContact CD2-CD1 3.97Å; L282-I285 HydrophobicContact CG-CD1 4.15Å; L282-I285 PolarHBondContact O-N 3.23Å; L282-L290 HydrophobicContact CD1-CD1 4.06Å; L282-L293 HydrophobicContact CD1-CD1 3.72Å |
| 283 | P | 91.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 59 Ų | 59 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 126.5 | -175.2 | 29.6 | -35.7 | 0 | 0 | 0 | 111.6 | L281 | L281-P283 WeakPolarHBondContact O-CD 3.36Š|
| 284 | G | 89.2 | Confident | 95.2 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 89% | 0.887 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | 2.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L282 | L282-G284 PolarHBondContact O-N 2.96Š|
| 285 | I | 94.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 57 Ų | 57 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | trans | -72.4 | 148.4 | 169.3 | -60.4 | -166.9 | 0 | 0 | 0 | 110.1 | L226 T227 L282 A289 | L226-I285 HydrophobicContact CB-CD1 3.63Å; L226-I285 HydrophobicContact CB-CG1 4.36Å; L226-I285 HydrophobicContact CD1-CD1 3.74Å; L226-I285 HydrophobicContact CD1-CG1 4.48Å; L226-I285 HydrophobicContact CD1-CG2 3.91Å; L226-I285 HydrophobicContact CG-CD1 4.33Å; T227-I285 HydrophobicContact CG2-CD1 4.04Å; L282-I285 HydrophobicContact CB-CD1 3.67Å; L282-I285 HydrophobicContact CB-CG1 4.14Å; L282-I285 HydrophobicContact CD1-CD1 4.18Å; L282-I285 HydrophobicContact CD2-CD1 3.97Å; L282-I285 HydrophobicContact CG-CD1 4.15Å; L282-I285 PolarHBondContact O-N 3.23Å; I285-A289 HydrophobicContact CG2-CB 3.59Å | ||
| 286 | S | 96 | Very high | 95.7 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | trans | -61.6 | 147.4 | 177.1 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | E126 E288 A289 L290 | E126-S286 WeakPolarHBondContact OE1-CB 3.5Å; E126-S286 PolarHBondContact OE1-OG 2.75Å; E126-S286 VanDerWaalsContact OE2-CB 3.32Å; E126-S286 WeakPolarHBondContact OE2-CB 3.42Å; E126-S286 PolarHBondContact OE2-OG 3.35Å; E126-S286 VanDerWaalsContact OE2-OG 3.13Å; S286-E288 PolarHBondContact O-N 3.32Å; S286-A289 PolarHBondContact O-N 2.85Å; S286-A289 WeakPolarHBondContact OG-CB 3.47Å; S286-A289 PolarHBondContact OG-N 2.83Å; S286-A289 VanDerWaalsContact OG-N 3.14Å; S286-L290 WeakPolarHBondContact O-CB 3.41Å; S286-L290 PolarHBondContact O-N 2.79Å | ||
| 287 | P | 96.8 | Very high | 95.8 | Very high | 98 Ų | 98 | 48 Ų | 48 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -54.6 | -36 | 174.7 | -26.4 | 35 | 0 | 0 | 0 | 113.2 | L290 D291 | P287-L290 PolarHBondContact O-N 3.39Å; P287-D291 WeakPolarHBondContact O-CB 3.47Å; P287-D291 PolarHBondContact O-N 2.73Å |
| 288 | E | 96.9 | Very high | 96 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.7 | -38.4 | -177.9 | -58.8 | 79.3 | -176.9 | 0 | 0 | 112.2 | S286 L290 F292 H313 Y315 | S286-E288 PolarHBondContact O-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-F292 WeakPolarHBondContact O-CB 3.22Å; E288-F292 PolarHBondContact O-N 2.87Å; E288-H313 PolarHBondContact O-CE1 3.37Å; E288-H313 VanDerWaalsContact O-CE1 3.31Å; E288-Y315 VanDerWaalsContact C-CD2 3.48Å; E288-Y315 HydrophobicContact CB-CD2 3.77Å; E288-Y315 HydrophobicContact CB-CE2 4.46Å |
| 289 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.9 | -31.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F222 L226 I285 S286 L293 Y315 | F222-A289 HydrophobicContact CE1-CB 4.35Å; F222-A289 HydrophobicContact CZ-CB 4.2Å; L226-A289 HydrophobicContact CD1-CB 4.27Å; I285-A289 HydrophobicContact CG2-CB 3.59Å; S286-A289 PolarHBondContact O-N 2.85Å; S286-A289 WeakPolarHBondContact OG-CB 3.47Å; S286-A289 PolarHBondContact OG-N 2.83Å; S286-A289 VanDerWaalsContact OG-N 3.14Å; A289-L293 WeakPolarHBondContact O-CG 3.13Å; A289-L293 PolarHBondContact O-N 3.46Å; A289-Y315 HydrophobicContact CB-CD2 4.23Å; A289-Y315 HydrophobicContact CB-CE1 4.23Å; A289-Y315 HydrophobicContact CB-CE2 3.5Å |
| 290 | L | 97.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.2 | -43.7 | 178.8 | -176.9 | 61.3 | 0 | 0 | 0 | 112.4 | L278 T279 L282 S286 P287 E288 F292 L293 E294 | L278-L290 HydrophobicContact CB-CD1 3.83Å; T279-L290 HydrophobicContact CG2-CD2 3.54Å; L282-L290 HydrophobicContact CD1-CD1 4.06Å; S286-L290 WeakPolarHBondContact O-CB 3.41Å; S286-L290 PolarHBondContact O-N 2.79Å; P287-L290 PolarHBondContact O-N 3.39Å; E288-L290 VanDerWaalsContact C-N 3.32Å; L290-F292 VanDerWaalsContact C-N 3.29Å; L290-F292 PolarHBondContact O-N 2.96Å; L290-L293 CarbonylContact O-C 3.6Å; L290-L293 WeakPolarHBondContact O-CB 3.39Å; L290-L293 PolarHBondContact O-N 2.99Å; L290-L293 VanDerWaalsContact O-N 3.11Å; L290-E294 HydrophobicContact CD1-CG 4.48Å; L290-E294 PolarHBondContact O-N 3.02Å |
| 291 | D | 97.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.8 | -46.3 | 170.7 | 170 | 54.7 | 0 | 0 | 0 | 111 | P287 L293 E294 Q295 H313 | P287-D291 WeakPolarHBondContact O-CB 3.47Å; P287-D291 PolarHBondContact O-N 2.73Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.15Å; D291-E294 PolarHBondContact O-N 2.94Å; D291-Q295 VanDerWaalsContact CG-NE2 3.26Å; D291-Q295 WeakPolarHBondContact O-CG 3.4Å; D291-Q295 PolarHBondContact O-N 2.91Å; D291-Q295 VanDerWaalsContact O-N 3.1Å; D291-Q295 PolarHBondContact OD1-NE2 2.88Å; D291-Q295 PolarHBondContact OD2-NE2 2.67Å; D291-H313 IonicContact OD1-NE2 3.86Å; D291-H313 PolarHBondContact OD1-NE2 3.49Å; D291-H313 IonicContact OD2-CE1 2.72Å; D291-H313 PolarHBondContact OD2-CE1 3.27Å; D291-H313 IonicContact OD2-NE2 2.8Å; D291-H313 PolarHBondContact OD2-NE2 3.11Å |
| 292 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 174.4 | -178.5 | -112.1 | 0 | 0 | 0 | 113.2 | M133 L137 F222 E288 L290 I296 A310 H313 Y315 M316 | M133-F292 HydrophobicContact CE-CE1 3.79Å; M133-F292 HydrophobicContact CE-CZ 4.07Å; M133-F292 HydrophobicContact CG-CE1 4Å; L137-F292 HydrophobicContact CD1-CZ 3.83Å; F222-F292 AromaticContact CD1-CD1 3.93Å; F222-F292 HydrophobicContact CD1-CD1 3.93Å; F222-F292 HydrophobicContact CD1-CE1 4.07Å; F222-F292 AromaticContact CE1-CD1 3.66Å; F222-F292 HydrophobicContact CE1-CD1 3.66Å; F222-F292 HydrophobicContact CE1-CE1 4.14Å; E288-F292 WeakPolarHBondContact O-CB 3.22Å; E288-F292 PolarHBondContact O-N 2.87Å; L290-F292 VanDerWaalsContact C-N 3.29Å; L290-F292 PolarHBondContact O-N 2.96Å; F292-I296 HydrophobicContact CD1-CD1 4.38Å; F292-I296 HydrophobicContact CD2-CD1 4.38Å; F292-I296 HydrophobicContact CE1-CD1 3.7Å; F292-I296 HydrophobicContact CE2-CD1 3.72Å; F292-I296 HydrophobicContact CZ-CD1 3.32Å; F292-I296 PolarHBondContact O-N 2.64Å; F292-A310 HydrophobicContact CE2-CB 3.92Å; F292-A310 WeakPolarHBondContact CE2-O 3.49Å; F292-A310 HydrophobicContact CZ-CB 4.16Å; F292-H313 HydrophobicContact CD2-CB 3.79Å; F292-H313 AromaticContact CD2-CG 3.52Å; F292-H313 AromaticContact CD2-ND1 3.56Å; F292-H313 HydrophobicContact CE2-CB 3.95Å; F292-H313 PolarHBondContact N-CE1 3.07Å; F292-Y315 HydrophobicContact CB-CD1 4.02Å; F292-Y315 HydrophobicContact CB-CG 4.13Å; F292-Y315 AromaticContact CD1-CD1 3.75Å; F292-Y315 HydrophobicContact CD1-CD1 3.75Å; F292-Y315 HydrophobicContact CD1-CE1 4.24Å; F292-Y315 HydrophobicContact CE1-CD1 4.38Å; F292-Y315 AromaticContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CG 4.37Å; F292-M316 HydrophobicContact CD1-CE 4.19Å; F292-M316 HydrophobicContact CE1-CE 3.44Å; F292-M316 VanDerWaalsContact CE1-CE 3.44Å; F292-M316 HydrophobicContact CE2-CE 4.36Å; F292-M316 HydrophobicContact CE2-CG 4.34Å; F292-M316 HydrophobicContact CZ-CE 3.54Å; F292-M316 HydrophobicContact CZ-CG 4.31Å |
| 293 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 175.3 | -83.4 | 167.6 | 0 | 0 | 0 | 112.9 | G219 F222 A223 L226 L282 A289 L290 D291 Q295 I296 L297 | G219-L293 VanDerWaalsContact O-CD2 3.31Å; G219-L293 WeakPolarHBondContact O-CD2 3.24Å; F222-L293 HydrophobicContact CB-CD2 4.42Å; F222-L293 HydrophobicContact CD1-CD1 4.08Å; F222-L293 HydrophobicContact CD1-CD2 3.63Å; F222-L293 HydrophobicContact CD1-CG 3.68Å; F222-L293 HydrophobicContact CE1-CD1 4.14Å; F222-L293 HydrophobicContact CE1-CD2 4.39Å; F222-L293 HydrophobicContact CE1-CG 3.93Å; F222-L293 HydrophobicContact CG-CD2 4.47Å; A223-L293 HydrophobicContact CB-CD1 4.2Å; A223-L293 HydrophobicContact CB-CD2 4.09Å; L226-L293 HydrophobicContact CD1-CD1 4.38Å; L282-L293 HydrophobicContact CD1-CD1 3.72Å; A289-L293 WeakPolarHBondContact O-CG 3.13Å; A289-L293 PolarHBondContact O-N 3.46Å; L290-L293 CarbonylContact O-C 3.6Å; L290-L293 WeakPolarHBondContact O-CB 3.39Å; L290-L293 PolarHBondContact O-N 2.99Å; L290-L293 VanDerWaalsContact O-N 3.11Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.15Å; L293-Q295 VanDerWaalsContact C-N 3.3Å; L293-Q295 PolarHBondContact O-N 3.1Å; L293-I296 PolarHBondContact O-N 2.89Å; L293-L297 HydrophobicContact CD2-CD1 3.97Å; L293-L297 HydrophobicContact CD2-CG 4.49Å; L293-L297 VanDerWaalsContact O-CB 3.31Å; L293-L297 WeakPolarHBondContact O-CB 3.17Å; L293-L297 PolarHBondContact O-N 2.98Å |
| 294 | E | 97.4 | Very high | 96 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -33.1 | 178.2 | -76.4 | -179.9 | 177.6 | 0 | 0 | 111.8 | L278 L290 D291 T298 | L278-E294 HydrophobicContact CB-CG 4.41Å; L278-E294 HydrophobicContact CD1-CG 3.92Å; L290-E294 HydrophobicContact CD1-CG 4.48Å; L290-E294 PolarHBondContact O-N 3.02Å; D291-E294 PolarHBondContact O-N 2.94Å; E294-T298 WeakPolarHBondContact O-CG2 3.09Å |
| 295 | Q | 98 | Very high | 96.4 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -77.4 | -21.2 | 175 | -63.6 | 179.3 | 41.8 | 0 | 0 | 114.2 | D291 L293 L305 H313 | D291-Q295 VanDerWaalsContact CG-NE2 3.26Å; D291-Q295 WeakPolarHBondContact O-CG 3.4Å; D291-Q295 PolarHBondContact O-N 2.91Å; D291-Q295 VanDerWaalsContact O-N 3.1Å; D291-Q295 PolarHBondContact OD1-NE2 2.88Å; D291-Q295 PolarHBondContact OD2-NE2 2.67Å; L293-Q295 VanDerWaalsContact C-N 3.3Å; L293-Q295 PolarHBondContact O-N 3.1Å; Q295-L305 HydrophobicContact CB-CD1 3.75Å; Q295-L305 HydrophobicContact CB-CD2 4.44Å; Q295-L305 HydrophobicContact CB-CG 3.9Å; Q295-L305 PolarHBondContact O-N 2.9Å; Q295-H313 PolarHBondContact NE2-NE2 2.89Å; Q295-H313 PolarHBondContact OE1-CD2 3.03Å; Q295-H313 PolarHBondContact OE1-NE2 3.5Å; Q295-H313 VanDerWaalsContact OE1-NE2 3.14Å |
| 296 | I | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -93.3 | -35.9 | 174.8 | -69.3 | -178.4 | 0 | 0 | 0 | 112.3 | M133 M215 F292 L293 T298 R304 L305 A310 | M133-I296 HydrophobicContact CE-CD1 3.84Å; M215-I296 HydrophobicContact CE-CD1 4.35Å; M215-I296 WeakPolarHBondContact O-CG2 3.37Å; F292-I296 HydrophobicContact CD1-CD1 4.38Å; F292-I296 HydrophobicContact CD2-CD1 4.38Å; F292-I296 HydrophobicContact CE1-CD1 3.7Å; F292-I296 HydrophobicContact CE2-CD1 3.72Å; F292-I296 HydrophobicContact CZ-CD1 3.32Å; F292-I296 PolarHBondContact O-N 2.64Å; L293-I296 PolarHBondContact O-N 2.89Å; I296-T298 VanDerWaalsContact C-N 3.26Å; I296-T298 PolarHBondContact O-N 2.72Å; I296-R304 WeakPolarHBondContact O-CD 3.42Å; I296-R304 VanDerWaalsContact O-CG 3.24Å; I296-R304 WeakPolarHBondContact O-CG 3.49Å; I296-R304 PolarHBondContact O-NE 2.91Å; I296-L305 HydrophobicContact CG1-CB 4.3Å; I296-L305 HydrophobicContact CG1-CD1 4.22Å; I296-A310 HydrophobicContact CD1-CB 4.15Å |
| 297 | L | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -91.5 | 29.4 | -176.6 | -64 | 177 | 0 | 0 | 0 | 113.2 | W216 L231 I248 L278 L293 | W216-L297 HydrophobicContact CD2-CD2 4.08Å; W216-L297 HydrophobicContact CE3-CD2 3.97Å; W216-L297 HydrophobicContact CH2-CD2 4.44Å; W216-L297 HydrophobicContact CZ3-CB 4.3Å; W216-L297 HydrophobicContact CZ3-CD2 4.16Å; W216-L297 WeakPolarHBondContact CZ3-O 3.48Å; L231-L297 HydrophobicContact CD2-CD1 3.53Å; I248-L297 HydrophobicContact CD1-CB 4Å; I248-L297 WeakPolarHBondContact CD1-O 3.2Å; I248-L297 WeakPolarHBondContact CG1-O 3.36Å; I248-L297 WeakPolarHBondContact CG2-O 3.5Å; L278-L297 HydrophobicContact CD1-CB 4.14Å; L278-L297 HydrophobicContact CD1-CD1 3.95Å; L278-L297 HydrophobicContact CD2-CD1 4.42Å; L293-L297 HydrophobicContact CD2-CD1 3.97Å; L293-L297 HydrophobicContact CD2-CG 4.49Å; L293-L297 VanDerWaalsContact O-CB 3.31Å; L293-L297 WeakPolarHBondContact O-CB 3.17Å; L293-L297 PolarHBondContact O-N 2.98Å |
| 298 | T | 97.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | trans | -61.5 | 154.3 | 170.6 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | W216 E294 I296 S300 D303 R304 | W216-T298 WeakPolarHBondContact CZ3-O 3.46Å; E294-T298 WeakPolarHBondContact O-CG2 3.09Å; I296-T298 VanDerWaalsContact C-N 3.26Å; I296-T298 PolarHBondContact O-N 2.72Å; T298-S300 PolarHBondContact OG1-O 3.11Å; T298-D303 HydrophobicContact CG2-CB 4.16Å; T298-D303 WeakPolarHBondContact CG2-O 3.34Å; T298-R304 PolarHBondContact O-NH2 2.99Å; T298-R304 WeakPolarHBondContact OG1-CA 3.45Å; T298-R304 WeakPolarHBondContact OG1-CB 3.44Å; T298-R304 PolarHBondContact OG1-N 3.06Å | ||
| 299 | F | 95.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -72.7 | -55.9 | 177.6 | -174.9 | -87.8 | 0 | 0 | 0 | 112 | P200 L204 M241 I244 L245 I248 P249 V250 D255 L259 R304 | P200-F299 HydrophobicContact CB-CD2 3.76Å; P200-F299 HydrophobicContact CB-CE2 3.4Å; P200-F299 HydrophobicContact CB-CG 4.47Å; P200-F299 HydrophobicContact CB-CZ 3.83Å; P200-F299 HydrophobicContact CG-CD2 3.94Å; P200-F299 HydrophobicContact CG-CE2 4.1Å; L204-F299 HydrophobicContact CD1-CZ 4.01Å; M241-F299 HydrophobicContact SD-CE2 4.23Å; I244-F299 HydrophobicContact CG2-CD2 4.39Å; L245-F299 HydrophobicContact CD2-CD2 4.1Å; L245-F299 HydrophobicContact CD2-CE2 3.71Å; I248-F299 HydrophobicContact CG2-CB 4.05Å; P249-F299 WeakPolarHBondContact O-CB 3.47Å; V250-F299 HydrophobicContact CG1-CD1 4.27Å; V250-F299 HydrophobicContact CG2-CB 4.27Å; V250-F299 HydrophobicContact CG2-CD1 4.25Å; V250-F299 HydrophobicContact CG2-CD2 3.72Å; V250-F299 HydrophobicContact CG2-CE2 4.12Å; V250-F299 HydrophobicContact CG2-CG 3.8Å; D255-F299 HydrophobicContact CB-CD1 3.9Å; D255-F299 HydrophobicContact CB-CE1 3.74Å; L259-F299 HydrophobicContact CD1-CE1 4.12Å; L259-F299 HydrophobicContact CD1-CE2 4.08Å; L259-F299 HydrophobicContact CD1-CZ 3.61Å; L259-F299 HydrophobicContact CD2-CZ 4.05Å; L259-F299 HydrophobicContact CG-CZ 3.99Å; F299-R304 PolarHBondContact O-NH2 3.35Å |
| 300 | S | 93.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -61.8 | 136.7 | 176.8 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | D255 T298 M302 D303 R304 | D255-S300 WeakPolarHBondContact OD2-CB 3.47Å; T298-S300 PolarHBondContact OG1-O 3.11Å; S300-M302 PolarHBondContact O-N 2.92Å; S300-M302 PolarHBondContact OG-N 2.95Å; S300-M302 VanDerWaalsContact OG-N 3.1Å; S300-D303 VanDerWaalsContact CB-OD2 3.26Å; S300-D303 WeakPolarHBondContact CB-OD2 3.47Å; S300-R304 PolarHBondContact O-NH2 2.71Å |
| 301 | P | 92.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 10% | 0.104 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -71.6 | -12.6 | 173.1 | 33 | -36.7 | 0 | 0 | 0 | 113.4 | R201 A212 | R201-P301 HydrophobicContact CG-CG 4.27Å; A212-P301 HydrophobicContact CB-CB 3.99Å; A212-P301 WeakPolarHBondContact CB-O 3.2Å |
| 302 | M | 91.5 | Very high | 96.8 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 39% | 0.389 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -90.2 | -23 | -178.9 | -54 | -60.4 | -61.1 | 0 | 0 | 112.7 | S300 R304 Q395 | S300-M302 PolarHBondContact O-N 2.92Å; S300-M302 PolarHBondContact OG-N 2.95Å; S300-M302 VanDerWaalsContact OG-N 3.1Å; M302-R304 VanDerWaalsContact C-N 3.27Å; M302-Q395 HydrophobicContact CE-CB 3.92Å; M302-Q395 VanDerWaalsContact CE-OE1 3.26Å |
| 303 | D | 94.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 34 Ų | 34 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -88.6 | 0.7 | 176.4 | -49.5 | -22.2 | 0 | 0 | 0 | 111.6 | H252 T298 S300 | H252-D303 IonicContact CD2-OD1 3.28Å; H252-D303 IonicContact CD2-OD2 2.69Å; H252-D303 PolarHBondContact CD2-OD2 2.92Å; H252-D303 IonicContact CE1-OD1 2.63Å; H252-D303 IonicContact CE1-OD2 2.8Å; H252-D303 IonicContact NE2-OD1 3.24Å; H252-D303 PolarHBondContact NE2-OD1 3.01Å; H252-D303 IonicContact NE2-OD2 4Å; H252-D303 PolarHBondContact NE2-OD2 3.45Å; T298-D303 HydrophobicContact CG2-CB 4.16Å; T298-D303 WeakPolarHBondContact CG2-O 3.34Å; S300-D303 VanDerWaalsContact CB-OD2 3.26Å; S300-D303 WeakPolarHBondContact CB-OD2 3.47Å |
| 304 | R | 97.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -93.3 | 129.4 | -173.5 | -171.9 | 170.2 | -55.5 | 114.3 | 20.8 | 110.5 | A212 M215 I296 T298 F299 S300 M302 T306 | A212-R304 WeakPolarHBondContact O-CD 3.34Å; A212-R304 PolarHBondContact O-NH1 3.32Å; M215-R304 HydrophobicContact CB-CG 4.3Å; I296-R304 WeakPolarHBondContact O-CD 3.42Å; I296-R304 VanDerWaalsContact O-CG 3.24Å; I296-R304 WeakPolarHBondContact O-CG 3.49Å; I296-R304 PolarHBondContact O-NE 2.91Å; T298-R304 PolarHBondContact O-NH2 2.99Å; T298-R304 WeakPolarHBondContact OG1-CA 3.45Å; T298-R304 WeakPolarHBondContact OG1-CB 3.44Å; T298-R304 PolarHBondContact OG1-N 3.06Å; F299-R304 PolarHBondContact O-NH2 3.35Å; S300-R304 PolarHBondContact O-NH2 2.71Å; M302-R304 VanDerWaalsContact C-N 3.27Å; R304-T306 PolarHBondContact O-N 3.02Å |
| 305 | L | 98.1 | Very high | 96.8 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 134.3 | 172.1 | -58.4 | -177.7 | 0 | 0 | 0 | 111.1 | M215 Q295 I296 E309 A310 | M215-L305 WeakPolarHBondContact CE-O 3.3Å; Q295-L305 HydrophobicContact CB-CD1 3.75Å; Q295-L305 HydrophobicContact CB-CD2 4.44Å; Q295-L305 HydrophobicContact CB-CG 3.9Å; Q295-L305 PolarHBondContact O-N 2.9Å; I296-L305 HydrophobicContact CG1-CB 4.3Å; I296-L305 HydrophobicContact CG1-CD1 4.22Å; L305-E309 HydrophobicContact CB-CB 4.23Å; L305-E309 HydrophobicContact CD2-CB 4.02Å; L305-A310 HydrophobicContact CB-CB 4.17Å; L305-A310 HydrophobicContact CD1-CB 4.3Å |
| 306 | T | 98.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 32 Ų | 32 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 170.6 | 162.4 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | R304 E308 E309 A310 | R304-T306 PolarHBondContact O-N 3.02Å; T306-E308 PolarHBondContact O-N 3.19Å; T306-E309 VanDerWaalsContact CB-OE2 3.27Å; T306-E309 WeakPolarHBondContact CB-OE2 3.3Å; T306-E309 VanDerWaalsContact CG2-OE2 3.28Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.48Å; T306-E309 PolarHBondContact N-OE2 2.84Å; T306-E309 PolarHBondContact O-N 3.23Å; T306-E309 WeakPolarHBondContact OG1-CG 3.23Å; T306-E309 PolarHBondContact OG1-N 3.31Å; T306-E309 PolarHBondContact OG1-OE2 3.14Å; T306-A310 WeakPolarHBondContact O-CB 3.49Å; T306-A310 PolarHBondContact O-N 3.43Å |
| 307 | A | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L140 K141 M215 L311 | L140-A307 HydrophobicContact CB-CB 4.19Å; K141-A307 HydrophobicContact CB-CB 4.07Å; M215-A307 HydrophobicContact SD-CB 3.87Å; M215-A307 PolarHBondContact SD-N 2.81Å; A307-L311 WeakPolarHBondContact O-CD1 3.46Å; A307-L311 WeakPolarHBondContact O-CG 3.49Å; A307-L311 PolarHBondContact O-N 2.7Å |
| 308 | E | 97.3 | Very high | 96.5 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -76.4 | -40.5 | -179.2 | -177.8 | 148.2 | -124.9 | 0 | 0 | 112.9 | K141 T306 A310 L311 S312 | K141-E308 WeakPolarHBondContact CE-OE1 3.27Å; K141-E308 IonicContact NZ-OE1 2.91Å; K141-E308 PolarHBondContact NZ-OE1 3.38Å; T306-E308 PolarHBondContact O-N 3.19Å; E308-A310 VanDerWaalsContact C-N 3.31Å; E308-A310 PolarHBondContact O-N 2.94Å; E308-L311 PolarHBondContact O-N 3.16Å; E308-S312 WeakPolarHBondContact O-CB 3.27Å; E308-S312 PolarHBondContact O-N 2.91Å; E308-S312 PolarHBondContact O-OG 3.44Å |
| 309 | E | 98.1 | Very high | 96.4 | Very high | 97 Ų | 97 | 42.7 Ų | 42.7 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66 | -36.2 | 172.3 | -65.9 | 161.4 | 126.4 | 0 | 0 | 111.4 | L305 T306 S312 H313 | L305-E309 HydrophobicContact CB-CB 4.23Å; L305-E309 HydrophobicContact CD2-CB 4.02Å; T306-E309 VanDerWaalsContact CB-OE2 3.27Å; T306-E309 WeakPolarHBondContact CB-OE2 3.3Å; T306-E309 VanDerWaalsContact CG2-OE2 3.28Å; T306-E309 WeakPolarHBondContact CG2-OE2 3.48Å; T306-E309 PolarHBondContact N-OE2 2.84Å; T306-E309 PolarHBondContact O-N 3.23Å; T306-E309 WeakPolarHBondContact OG1-CG 3.23Å; T306-E309 PolarHBondContact OG1-N 3.31Å; T306-E309 PolarHBondContact OG1-OE2 3.14Å; E309-S312 CarbonylContact O-C 3.57Å; E309-S312 PolarHBondContact O-N 3.07Å; E309-H313 PolarHBondContact O-N 2.93Å; E309-H313 VanDerWaalsContact O-N 3.13Å |
| 310 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L137 M215 F292 I296 L305 T306 E308 S312 H313 M316 | L137-A310 HydrophobicContact CD1-CB 4.13Å; L137-A310 HydrophobicContact CD2-CB 3.79Å; M215-A310 HydrophobicContact CE-CB 3.82Å; F292-A310 HydrophobicContact CE2-CB 3.92Å; F292-A310 WeakPolarHBondContact CE2-O 3.49Å; F292-A310 HydrophobicContact CZ-CB 4.16Å; I296-A310 HydrophobicContact CD1-CB 4.15Å; L305-A310 HydrophobicContact CB-CB 4.17Å; L305-A310 HydrophobicContact CD1-CB 4.3Å; T306-A310 WeakPolarHBondContact O-CB 3.49Å; T306-A310 PolarHBondContact O-N 3.43Å; E308-A310 VanDerWaalsContact C-N 3.31Å; E308-A310 PolarHBondContact O-N 2.94Å; A310-S312 VanDerWaalsContact C-N 3.33Å; A310-H313 WeakPolarHBondContact O-CB 3.28Å; A310-H313 PolarHBondContact O-N 3.16Å; A310-M316 WeakPolarHBondContact O-CG 3.36Å |
| 311 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -38 | 169.7 | -74 | 161.3 | 0 | 0 | 0 | 111.4 | Y134 L137 K141 A307 E308 H313 M316 S320 E325 | Y134-L311 HydrophobicContact CD2-CD2 3.45Å; Y134-L311 VanDerWaalsContact CD2-CD2 3.45Å; Y134-L311 HydrophobicContact CE2-CD2 3.54Å; L137-L311 HydrophobicContact CB-CD1 4.36Å; L137-L311 HydrophobicContact CB-CD2 3.75Å; L137-L311 HydrophobicContact CB-CG 3.83Å; K141-L311 HydrophobicContact CB-CD1 4.1Å; K141-L311 HydrophobicContact CD-CD1 3.79Å; K141-L311 HydrophobicContact CG-CD1 4.48Å; A307-L311 WeakPolarHBondContact O-CD1 3.46Å; A307-L311 WeakPolarHBondContact O-CG 3.49Å; A307-L311 PolarHBondContact O-N 2.7Å; E308-L311 PolarHBondContact O-N 3.16Å; L311-H313 PolarHBondContact O-N 3.17Å; L311-M316 WeakPolarHBondContact O-CB 3.31Å; L311-S320 VanDerWaalsContact O-CB 3.27Å; L311-S320 WeakPolarHBondContact O-CB 3.5Å; L311-S320 PolarHBondContact O-OG 2.91Å; L311-E325 HydrophobicContact CD1-CG 4.41Å |
| 312 | S | 97.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.9 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | E308 E309 A310 | E308-S312 WeakPolarHBondContact O-CB 3.27Å; E308-S312 PolarHBondContact O-N 2.91Å; E308-S312 PolarHBondContact O-OG 3.44Å; E309-S312 CarbonylContact O-C 3.57Å; E309-S312 PolarHBondContact O-N 3.07Å; A310-S312 VanDerWaalsContact C-N 3.33Å |
| 313 | H | 98.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -69.2 | 142.8 | -176.3 | -171.3 | -86.3 | 0 | 0 | 0 | 111.7 | E288 D291 F292 Q295 E309 A310 L311 Y315 M316 S317 | E288-H313 PolarHBondContact O-CE1 3.37Å; E288-H313 VanDerWaalsContact O-CE1 3.31Å; D291-H313 IonicContact OD1-NE2 3.86Å; D291-H313 PolarHBondContact OD1-NE2 3.49Å; D291-H313 IonicContact OD2-CE1 2.72Å; D291-H313 PolarHBondContact OD2-CE1 3.27Å; D291-H313 IonicContact OD2-NE2 2.8Å; D291-H313 PolarHBondContact OD2-NE2 3.11Å; F292-H313 HydrophobicContact CD2-CB 3.79Å; F292-H313 AromaticContact CD2-CG 3.52Å; F292-H313 AromaticContact CD2-ND1 3.56Å; F292-H313 HydrophobicContact CE2-CB 3.95Å; F292-H313 PolarHBondContact N-CE1 3.07Å; Q295-H313 PolarHBondContact NE2-NE2 2.89Å; Q295-H313 PolarHBondContact OE1-CD2 3.03Å; Q295-H313 PolarHBondContact OE1-NE2 3.5Å; Q295-H313 VanDerWaalsContact OE1-NE2 3.14Å; E309-H313 PolarHBondContact O-N 2.93Å; E309-H313 VanDerWaalsContact O-N 3.13Å; A310-H313 WeakPolarHBondContact O-CB 3.28Å; A310-H313 PolarHBondContact O-N 3.16Å; L311-H313 PolarHBondContact O-N 3.17Å; H313-Y315 VanDerWaalsContact ND1-CB 3.28Å; H313-Y315 WeakPolarHBondContact ND1-CB 3.37Å; H313-Y315 PolarHBondContact ND1-N 2.83Å; H313-Y315 PolarHBondContact O-N 3.41Å; H313-M316 PolarHBondContact O-N 2.97Å; H313-S317 PolarHBondContact O-N 3.18Å |
| 314 | P | 97.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -50.5 | -32.9 | 179.7 | -30.9 | 36.7 | 0 | 0 | 0 | 114.9 | M316 S317 | P314-M316 VanDerWaalsContact C-N 3.3Å; P314-M316 PolarHBondContact O-N 2.88Å; P314-S317 VanDerWaalsContact O-CB 3.3Å; P314-S317 WeakPolarHBondContact O-CB 3.47Å; P314-S317 PolarHBondContact O-N 3.09Å; P314-S317 PolarHBondContact O-OG 2.79Å |
| 315 | Y | 97.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 4% | 0.043 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -63.8 | -32 | 176.5 | -175.6 | -111.1 | 0 | 0 | 0 | 113.5 | E126 R130 F222 E288 A289 F292 H313 | E126-Y315 VanDerWaalsContact CG-OH 3.26Å; E126-Y315 WeakPolarHBondContact CG-OH 3.18Å; E126-Y315 WeakPolarHBondContact OE1-CE2 3.41Å; E126-Y315 PolarHBondContact OE1-OH 2.88Å; R130-Y315 HydrophobicContact CB-CE1 4.2Å; R130-Y315 WeakPolarHBondContact CD-O 3.25Å; R130-Y315 HydrophobicContact CG-CD1 4.29Å; R130-Y315 HydrophobicContact CG-CE1 3.62Å; R130-Y315 PolarHBondContact NE-OH 2.96Å; R130-Y315 VanDerWaalsContact NE-OH 3.13Å; F222-Y315 AromaticContact CE1-CE1 3.95Å; F222-Y315 HydrophobicContact CE1-CE1 3.95Å; F222-Y315 HydrophobicContact CE2-CE1 4.19Å; F222-Y315 HydrophobicContact CZ-CD1 4.42Å; F222-Y315 AromaticContact CZ-CE1 3.36Å; F222-Y315 HydrophobicContact CZ-CE1 3.36Å; F222-Y315 AromaticContact CZ-CZ 3.73Å; F222-Y315 WeakPolarHBondContact CZ-OH 3.14Å; E288-Y315 VanDerWaalsContact C-CD2 3.48Å; E288-Y315 HydrophobicContact CB-CD2 3.77Å; E288-Y315 HydrophobicContact CB-CE2 4.46Å; A289-Y315 HydrophobicContact CB-CD2 4.23Å; A289-Y315 HydrophobicContact CB-CE1 4.23Å; A289-Y315 HydrophobicContact CB-CE2 3.5Å; F292-Y315 HydrophobicContact CB-CD1 4.02Å; F292-Y315 HydrophobicContact CB-CG 4.13Å; F292-Y315 AromaticContact CD1-CD1 3.75Å; F292-Y315 HydrophobicContact CD1-CD1 3.75Å; F292-Y315 HydrophobicContact CD1-CE1 4.24Å; F292-Y315 HydrophobicContact CE1-CD1 4.38Å; F292-Y315 AromaticContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CD1 3.85Å; F292-Y315 HydrophobicContact CG-CG 4.37Å; H313-Y315 VanDerWaalsContact ND1-CB 3.28Å; H313-Y315 WeakPolarHBondContact ND1-CB 3.37Å; H313-Y315 PolarHBondContact ND1-N 2.83Å; H313-Y315 PolarHBondContact O-N 3.41Å |
| 316 | M | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -90.3 | -4.8 | 178.9 | -67.8 | -58.4 | 173.2 | 0 | 0 | 114 | R130 M133 L137 F292 A310 L311 H313 P314 I318 Y319 S320 | R130-M316 HydrophobicContact CG-SD 4.03Å; M133-M316 HydrophobicContact CB-CE 3.86Å; M133-M316 HydrophobicContact CG-CE 3.47Å; M133-M316 VanDerWaalsContact CG-CE 3.47Å; L137-M316 HydrophobicContact CD1-CE 3.87Å; L137-M316 HydrophobicContact CD1-CG 4.38Å; F292-M316 HydrophobicContact CD1-CE 4.19Å; F292-M316 HydrophobicContact CE1-CE 3.44Å; F292-M316 VanDerWaalsContact CE1-CE 3.44Å; F292-M316 HydrophobicContact CE2-CE 4.36Å; F292-M316 HydrophobicContact CE2-CG 4.34Å; F292-M316 HydrophobicContact CZ-CE 3.54Å; F292-M316 HydrophobicContact CZ-CG 4.31Å; A310-M316 WeakPolarHBondContact O-CG 3.36Å; L311-M316 WeakPolarHBondContact O-CB 3.31Å; H313-M316 PolarHBondContact O-N 2.97Å; P314-M316 VanDerWaalsContact C-N 3.3Å; P314-M316 PolarHBondContact O-N 2.88Å; M316-I318 PolarHBondContact O-N 3.13Å; M316-Y319 PolarHBondContact O-N 3.41Å; M316-S320 PolarHBondContact O-N 2.88Å |
| 317 | S | 94.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.2 | -174.7 | 65.5 | 0 | 0 | 0 | 0 | 116.2 | H313 P314 | H313-S317 PolarHBondContact O-N 3.18Å; P314-S317 VanDerWaalsContact O-CB 3.3Å; P314-S317 WeakPolarHBondContact O-CB 3.47Å; P314-S317 PolarHBondContact O-N 3.09Å; P314-S317 PolarHBondContact O-OG 2.79Å |
| 318 | I | 94.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -16.3 | 174.1 | 70.2 | 161.4 | 0 | 0 | 0 | 113.9 | M316 | M316-I318 PolarHBondContact O-N 3.13Š|
| 319 | Y | 94.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -29.4 | -179.2 | -62.3 | -50.9 | 0 | 0 | 0 | 113.2 | D127 R130 L131 Y134 M316 F321 | D127-Y319 PolarHBondContact O-OH 3.15Å; R130-Y319 HydrophobicContact CB-CE2 4.18Å; R130-Y319 HydrophobicContact CG-CD2 4.21Å; R130-Y319 HydrophobicContact CG-CE2 3.95Å; L131-Y319 HydrophobicContact CB-CE2 3.89Å; L131-Y319 HydrophobicContact CD1-CD1 4.32Å; L131-Y319 HydrophobicContact CD1-CE1 4.03Å; L131-Y319 HydrophobicContact CD1-CE2 4.35Å; Y134-Y319 HydrophobicContact CD1-CG 4.35Å; Y134-Y319 HydrophobicContact CG-CD2 4.39Å; Y134-Y319 HydrophobicContact CG-CG 4.26Å; Y134-Y319 PolarHBondContact OH-O 3.14Å; M316-Y319 PolarHBondContact O-N 3.41Å; Y319-F321 PolarHBondContact O-N 2.77Å |
| 320 | S | 92.9 | Very high | 95 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | trans | -60.4 | 129.7 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | L311 M316 E325 | L311-S320 VanDerWaalsContact O-CB 3.27Å; L311-S320 WeakPolarHBondContact O-CB 3.5Å; L311-S320 PolarHBondContact O-OG 2.91Å; M316-S320 PolarHBondContact O-N 2.88Å; S320-E325 VanDerWaalsContact CA-OE1 3.24Å; S320-E325 WeakPolarHBondContact CA-OE1 3.41Å; S320-E325 WeakPolarHBondContact CB-OE1 3.27Å; S320-E325 PolarHBondContact OG-OE1 2.93Å | ||
| 321 | F | 93.9 | Very high | 94.5 | Very high | 125 Ų | 125 | 65.4 Ų | 65.4 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | trans | -150.7 | 85.5 | -179.8 | -175.9 | -127.7 | 0 | 0 | 0 | 108.3 | Y319 T323 D324 E325 | Y319-F321 PolarHBondContact O-N 2.77Å; F321-T323 VanDerWaalsContact CE1-OG1 3.32Å; F321-T323 WeakPolarHBondContact CE1-OG1 3.29Å; F321-T323 WeakPolarHBondContact CE2-OG1 3.25Å; F321-T323 WeakPolarHBondContact CZ-OG1 3.27Å; F321-T323 PolarHBondContact O-N 3.36Å; F321-D324 HydrophobicContact CD1-CB 3.62Å; F321-D324 HydrophobicContact CE1-CB 4.23Å; F321-D324 CarbonylContact O-C 3.55Å; F321-D324 WeakPolarHBondContact O-CA 3.1Å; F321-D324 PolarHBondContact O-N 2.91Å; F321-E325 PolarHBondContact N-OE1 2.87Å | ||
| 322 | P | 93.2 | Very high | 94 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -55 | -24 | -164.3 | -33.2 | 37.5 | 0 | 0 | 0 | 116.9 | D324 E325 | P322-D324 VanDerWaalsContact C-N 3.26Å; P322-D324 PolarHBondContact O-N 3.47Å; P322-E325 PolarHBondContact O-N 3.45Å |
| 323 | T | 92.4 | Very high | 93.3 | Very high | 125 Ų | 125 | 67.1 Ų | 67.1 | 77% | 0.767 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -74.8 | -11.1 | 174.1 | 44.5 | 0 | 0 | 0 | 0 | 114.8 | F321 | F321-T323 VanDerWaalsContact CE1-OG1 3.32Å; F321-T323 WeakPolarHBondContact CE1-OG1 3.29Å; F321-T323 WeakPolarHBondContact CE2-OG1 3.25Å; F321-T323 WeakPolarHBondContact CZ-OG1 3.27Å; F321-T323 PolarHBondContact O-N 3.36Å |
| 324 | D | 94.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -117.2 | 23.8 | 169.7 | -170.3 | 22.2 | 0 | 0 | 0 | 110.7 | R138 F321 P322 P326 | R138-D324 IonicContact CZ-OD1 3.92Å; R138-D324 PolarHBondContact NE-O 3.46Å; R138-D324 PolarHBondContact NH2-O 3.47Å; R138-D324 IonicContact NH2-OD1 3.83Å; R138-D324 PolarHBondContact NH2-OD1 3.27Å; R138-D324 IonicContact NH2-OD2 3.92Å; F321-D324 HydrophobicContact CD1-CB 3.62Å; F321-D324 HydrophobicContact CE1-CB 4.23Å; F321-D324 CarbonylContact O-C 3.55Å; F321-D324 WeakPolarHBondContact O-CA 3.1Å; F321-D324 PolarHBondContact O-N 2.91Å; P322-D324 VanDerWaalsContact C-N 3.26Å; P322-D324 PolarHBondContact O-N 3.47Å; D324-P326 VanDerWaalsContact O-CD 3.29Å; D324-P326 WeakPolarHBondContact O-CD 3.37Å |
| 325 | E | 96.5 | Very high | 91 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.028 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -117.3 | 69.3 | 172.8 | -66.6 | 171 | -163.6 | 0 | 0 | 109.6 | K141 L311 S320 F321 P322 | K141-E325 HydrophobicContact CD-CB 4Å; K141-E325 WeakPolarHBondContact CE-O 3.47Å; K141-E325 PolarHBondContact NZ-O 2.92Å; K141-E325 IonicContact NZ-OE2 2.74Å; K141-E325 PolarHBondContact NZ-OE2 2.78Å; L311-E325 HydrophobicContact CD1-CG 4.41Å; S320-E325 VanDerWaalsContact CA-OE1 3.24Å; S320-E325 WeakPolarHBondContact CA-OE1 3.41Å; S320-E325 WeakPolarHBondContact CB-OE1 3.27Å; S320-E325 PolarHBondContact OG-OE1 2.93Å; F321-E325 PolarHBondContact N-OE1 2.87Å; P322-E325 PolarHBondContact O-N 3.45Å |
| 326 | P | 96.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | trans | -70.5 | 154.3 | -167.6 | 30.9 | -38.1 | 0 | 0 | 0 | 113.2 | D324 | D324-P326 VanDerWaalsContact O-CD 3.29Å; D324-P326 WeakPolarHBondContact O-CD 3.37Å | ||
| 327 | I | 96.4 | Very high | 88.4 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | trans | -105.1 | 161.9 | 170.4 | 58.1 | 170.3 | 0 | 0 | 0 | 110.8 | K141 S145 | K141-I327 HydrophobicContact CG-CG2 4.38Å; S145-I327 WeakPolarHBondContact OG-CA 3.34Å; S145-I327 WeakPolarHBondContact OG-CB 3.48Å | ||
| 328 | S | 93.7 | Very high | 86.5 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | trans | -75.4 | 124.9 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | S145 H330 | S145-S328 PolarHBondContact OG-N 2.86Å; S328-H330 PolarHBondContact O-N 2.86Å; S328-H330 PolarHBondContact OG-N 2.81Å; S328-H330 PolarHBondContact OG-O 3.3Å | ||
| 329 | N | 89.3 | Confident | 84.5 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -73 | -7 | 172.8 | -62.3 | -43 | 0 | 0 | 0 | 113.2 | ||
| 330 | H | 86.3 | Confident | 82.5 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -133.6 | 73 | -170.7 | -61.4 | -31.7 | 0 | 0 | 0 | 110.5 | R71 S328 | R71-H330 PolarHBondContact NH2-O 2.99Å; S328-H330 PolarHBondContact O-N 2.86Å; S328-H330 PolarHBondContact OG-N 2.81Å; S328-H330 PolarHBondContact OG-O 3.3Å |
| 331 | P | 88.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 71 Ų | 71 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | trans | -57.6 | 149.2 | 174.6 | 26.3 | -35.2 | 0 | 0 | 0 | 111.5 | R71 A146 | R71-P331 VanDerWaalsContact NH2-C 3.32Å; R71-P331 PolarHBondContact NH2-O 3.25Å; A146-P331 WeakPolarHBondContact O-CA 3.46Å | ||
| 332 | F | 87.6 | Confident | 78.1 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | trans | -80.9 | 148.1 | 172.1 | -76.9 | -94.5 | 0 | 0 | 0 | 110.9 | K67 I68 R71 A146 V148 I177 D336 | K67-F332 WeakPolarHBondContact O-CZ 3.38Å; I68-F332 HydrophobicContact CB-CZ 4.46Å; I68-F332 HydrophobicContact CG1-CE1 4.34Å; I68-F332 HydrophobicContact CG1-CZ 4.21Å; R71-F332 HydrophobicContact CB-CE2 4.07Å; R71-F332 HydrophobicContact CB-CZ 3.68Å; R71-F332 HydrophobicContact CG-CZ 4.11Å; A146-F332 HydrophobicContact CB-CD2 4.41Å; A146-F332 WeakPolarHBondContact O-CD2 3.28Å; A146-F332 PolarHBondContact O-N 3.23Å; V148-F332 HydrophobicContact CG2-CD2 3.48Å; V148-F332 VanDerWaalsContact CG2-CD2 3.48Å; V148-F332 HydrophobicContact CG2-CE2 3.82Å; V148-F332 HydrophobicContact CG2-CG 4.2Å; I177-F332 HydrophobicContact CB-CB 4.22Å; I177-F332 HydrophobicContact CD1-CB 3.84Å; I177-F332 HydrophobicContact CD1-CD1 3.48Å; I177-F332 VanDerWaalsContact CD1-CD1 3.48Å; I177-F332 HydrophobicContact CD1-CE1 4.31Å; I177-F332 HydrophobicContact CD1-CG 3.96Å; I177-F332 HydrophobicContact CG1-CB 3.68Å; I177-F332 HydrophobicContact CG1-CD1 3.96Å; I177-F332 HydrophobicContact CG1-CG 3.95Å; I177-F332 HydrophobicContact CG2-CB 3.59Å; F332-D336 WeakPolarHBondContact CA-OD2 3.3Å; F332-D336 HydrophobicContact CD1-CB 4.02Å; F332-D336 WeakPolarHBondContact CD1-OD2 3.49Å | ||
| 333 | H | 83.4 | Confident | 76.1 | Confident | 115 Ų | 115 | 70 Ų | 70 | 53% | 0.532 | 37% | 0.37 | S | S | . | . | trans | -119.4 | 160.9 | 176.4 | -61.3 | -69.5 | 0 | 0 | 0 | 110.4 | E335 D336 | H333-E335 PolarHBondContact O-N 3.08Å; H333-E335 VanDerWaalsContact O-N 3.1Å; H333-D336 PolarHBondContact N-OD2 2.94Å; H333-D336 VanDerWaalsContact O-CB 3.3Å; H333-D336 WeakPolarHBondContact O-CB 3.46Å; H333-D336 PolarHBondContact O-N 2.87Å | ||
| 334 | I | 73.6 | Confident | 74.1 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.6 | -178.3 | -166.5 | 60.2 | 0 | 0 | 0 | 113 | D179 Y182 D336 E337 V338 | D179-I334 HydrophobicContact CB-CB 4.13Å; D179-I334 HydrophobicContact CB-CD1 4.17Å; D179-I334 HydrophobicContact CB-CG1 4.41Å; D179-I334 VanDerWaalsContact OD2-CB 3.29Å; D179-I334 WeakPolarHBondContact OD2-CB 3.29Å; D179-I334 WeakPolarHBondContact OD2-CG1 3.44Å; Y182-I334 HydrophobicContact CD1-CD1 4.19Å; Y182-I334 HydrophobicContact CG-CD1 4.4Å; I334-D336 VanDerWaalsContact C-N 3.3Å; I334-D336 PolarHBondContact O-N 3.03Å; I334-E337 CarbonylContact O-C 3.59Å; I334-E337 PolarHBondContact O-N 3.42Å; I334-V338 HydrophobicContact CG1-CG2 4.27Å; I334-V338 WeakPolarHBondContact O-CG2 3.11Å; I334-V338 PolarHBondContact O-N 2.88Å |
| 335 | E | 73.3 | Confident | 71.8 | Confident | 149 Ų | 149 | 68.2 Ų | 68.2 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.2 | -39.8 | 174.9 | -60.9 | -176.8 | -175.8 | 0 | 0 | 111.9 | H333 E337 V338 D339 | H333-E335 PolarHBondContact O-N 3.08Å; H333-E335 VanDerWaalsContact O-N 3.1Å; E335-E337 PolarHBondContact O-N 3.39Å; E335-V338 PolarHBondContact O-N 3.48Å; E335-D339 PolarHBondContact O-N 2.8Å |
| 336 | D | 73.1 | Confident | 69.3 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.3 | -23.9 | 173.9 | -70.1 | -66.4 | 0 | 0 | 0 | 112.5 | K67 R71 I177 F332 H333 I334 | K67-D336 WeakPolarHBondContact CD-O 3.41Å; K67-D336 PolarHBondContact NZ-O 3.23Å; R71-D336 IonicContact CZ-OD2 2.62Å; R71-D336 IonicContact NH1-OD1 3.35Å; R71-D336 PolarHBondContact NH1-OD1 2.79Å; R71-D336 IonicContact NH1-OD2 3.71Å; R71-D336 PolarHBondContact NH1-OD2 3.45Å; I177-D336 HydrophobicContact CD1-CB 3.66Å; F332-D336 WeakPolarHBondContact CA-OD2 3.3Å; F332-D336 HydrophobicContact CD1-CB 4.02Å; F332-D336 WeakPolarHBondContact CD1-OD2 3.49Å; H333-D336 PolarHBondContact N-OD2 2.94Å; H333-D336 VanDerWaalsContact O-CB 3.3Å; H333-D336 WeakPolarHBondContact O-CB 3.46Å; H333-D336 PolarHBondContact O-N 2.87Å; I334-D336 VanDerWaalsContact C-N 3.3Å; I334-D336 PolarHBondContact O-N 3.03Å |
| 337 | E | 67.6 | Low | 66.8 | Low | 9 Ų | 9 | 76 Ų | 76 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -103.6 | -13 | 177.9 | 174.4 | 153.2 | -160.8 | 0 | 0 | 113.9 | K60 R64 R176 I177 H184 I334 E335 D340 | K60-E337 PolarHBondContact NZ-O 2.91Å; R64-E337 IonicContact CZ-OE1 2.74Å; R64-E337 VanDerWaalsContact NE-CD 3.31Å; R64-E337 IonicContact NE-OE1 3.89Å; R64-E337 PolarHBondContact NE-OE1 2.9Å; R64-E337 IonicContact NE-OE2 3.44Å; R64-E337 PolarHBondContact NE-OE2 3.03Å; R64-E337 IonicContact NH2-OE1 2.93Å; R64-E337 PolarHBondContact NH2-OE1 3.4Å; R176-E337 IonicContact CZ-OE1 3.14Å; R176-E337 IonicContact NE-OE1 2.7Å; R176-E337 IonicContact NH1-OE1 3.96Å; R176-E337 PolarHBondContact NH1-OE1 2.98Å; I177-E337 HydrophobicContact CD1-CB 4.23Å; H184-E337 IonicContact CE1-OE1 2.77Å; H184-E337 IonicContact CE1-OE2 3.58Å; H184-E337 PolarHBondContact CE1-OE2 2.87Å; H184-E337 IonicContact NE2-OE2 3.63Å; I334-E337 CarbonylContact O-C 3.59Å; I334-E337 PolarHBondContact O-N 3.42Å; E335-E337 PolarHBondContact O-N 3.39Å; E337-D340 WeakPolarHBondContact O-CB 3.38Å |
| 338 | V | 54.8 | Low | 64.2 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 35% | 0.352 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -84.8 | -30.4 | 177.4 | 169.7 | 0 | 0 | 0 | 0 | 112 | I334 E335 D340 I341 L342 | I334-V338 HydrophobicContact CG1-CG2 4.27Å; I334-V338 WeakPolarHBondContact O-CG2 3.11Å; I334-V338 PolarHBondContact O-N 2.88Å; E335-V338 PolarHBondContact O-N 3.48Å; V338-D340 PolarHBondContact O-N 3.48Å; V338-I341 WeakPolarHBondContact O-CB 3.3Å; V338-I341 PolarHBondContact O-N 3.1Å; V338-L342 PolarHBondContact O-N 3.33Å |
| 339 | D | 52.8 | Low | 61.6 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.4 | -35.9 | 169.9 | -77.8 | -18.7 | 0 | 0 | 0 | 112.2 | E335 I341 L342 L343 | E335-D339 PolarHBondContact O-N 2.8Å; D339-I341 PolarHBondContact O-N 3.31Å; D339-L342 PolarHBondContact O-N 2.88Å; D339-L343 HydrophobicContact CB-CD1 4.46Å; D339-L343 WeakPolarHBondContact O-CB 3.39Å; D339-L343 VanDerWaalsContact O-CG 3.31Å; D339-L343 WeakPolarHBondContact O-CG 3.42Å; D339-L343 PolarHBondContact O-N 2.82Å; D339-L343 VanDerWaalsContact O-N 3.16Å |
| 340 | D | 51.8 | Low | 59 | Low | 1 Ų | 1 | 83.6 Ų | 83.6 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.2 | -16.3 | 175.2 | -60.8 | -1.4 | 0 | 0 | 0 | 113.5 | K60 R64 K67 E337 V338 | K60-D340 HydrophobicContact CD-CB 3.75Å; K60-D340 VanDerWaalsContact CE-CB 3.45Å; K60-D340 WeakPolarHBondContact CE-OD2 3.47Å; K60-D340 HydrophobicContact CG-CB 3.92Å; R64-D340 IonicContact CZ-OD2 2.81Å; R64-D340 IonicContact NH2-OD2 3.46Å; R64-D340 PolarHBondContact NH2-OD2 2.94Å; K67-D340 IonicContact NZ-OD1 2.67Å; K67-D340 PolarHBondContact NZ-OD1 3.45Å; E337-D340 WeakPolarHBondContact O-CB 3.38Å; V338-D340 PolarHBondContact O-N 3.48Å |
| 341 | I | 48.8 | Very low | 56.6 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -96.4 | -48.7 | -179.6 | -54.3 | 179.4 | 0 | 0 | 0 | 110.2 | V338 D339 L343 M344 | V338-I341 WeakPolarHBondContact O-CB 3.3Å; V338-I341 PolarHBondContact O-N 3.1Å; D339-I341 PolarHBondContact O-N 3.31Å; I341-L343 VanDerWaalsContact C-N 3.29Å; I341-L343 PolarHBondContact O-N 3.5Å; I341-M344 PolarHBondContact O-N 3.23Å; I341-M344 VanDerWaalsContact O-N 3.17Å |
| 342 | L | 46.3 | Very low | 53.9 | Low | 123 Ų | 123 | 92.7 Ų | 92.7 | 64% | 0.644 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.1 | -33.7 | -176.1 | -63.2 | 177.7 | 0 | 0 | 0 | 111.9 | V338 D339 M344 D345 | V338-L342 PolarHBondContact O-N 3.33Å; D339-L342 PolarHBondContact O-N 2.88Å; L342-M344 PolarHBondContact O-N 3Å; L342-D345 PolarHBondContact O-N 3.49Å |
| 343 | L | 51.6 | Low | 51 | Low | 69 Ų | 69 | 98.4 Ų | 98.4 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 3.1 | 177 | -64.1 | 171 | 0 | 0 | 0 | 114.3 | V95 D339 I341 | V95-L343 HydrophobicContact CB-CD1 3.84Å; V95-L343 HydrophobicContact CG1-CD1 3.55Å; D339-L343 HydrophobicContact CB-CD1 4.46Å; D339-L343 WeakPolarHBondContact O-CB 3.39Å; D339-L343 VanDerWaalsContact O-CG 3.31Å; D339-L343 WeakPolarHBondContact O-CG 3.42Å; D339-L343 PolarHBondContact O-N 2.82Å; D339-L343 VanDerWaalsContact O-N 3.16Å; I341-L343 VanDerWaalsContact C-N 3.29Å; I341-L343 PolarHBondContact O-N 3.5Å |
| 344 | M | 49.4 | Very low | 48.7 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -5.9 | 176.1 | -65.3 | -168.5 | 178.2 | 0 | 0 | 114.4 | P56 V59 K60 L63 I341 L342 | P56-M344 HydrophobicContact CB-SD 3.85Å; P56-M344 WeakPolarHBondContact O-CE 3.42Å; V59-M344 HydrophobicContact CB-CE 3.7Å; V59-M344 HydrophobicContact CG1-CE 3.49Å; V59-M344 VanDerWaalsContact CG1-CE 3.49Å; K60-M344 HydrophobicContact CB-CE 4.12Å; L63-M344 HydrophobicContact CD1-CE 4.37Å; I341-M344 PolarHBondContact O-N 3.23Å; I341-M344 VanDerWaalsContact O-N 3.17Å; L342-M344 PolarHBondContact O-N 3Å |
| 345 | D | 45.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 110.5 Ų | 110.5 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | trans | -107.8 | 49.2 | 174.7 | -162.9 | 6.3 | 0 | 0 | 0 | 112.4 | L342 S347 H348 | L342-D345 PolarHBondContact O-N 3.49Å; D345-S347 PolarHBondContact O-N 3.46Å; D345-S347 WeakPolarHBondContact OD1-CB 3.46Å; D345-S347 PolarHBondContact OD1-OG 3.18Å; D345-H348 PolarHBondContact O-N 3.2Å | ||
| 346 | E | 45.2 | Very low | 44.6 | Very low | 139 Ų | 139 | 114.3 Ų | 114.3 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 13.3 | 172.8 | -64.7 | -139.7 | 99.1 | 0 | 0 | 113.9 | H348 S349 | E346-H348 PolarHBondContact O-N 3.22Å; E346-S349 PolarHBondContact OE1-OG 2.83Å |
| 347 | S | 44.6 | Very low | 42.7 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -19.1 | 164.6 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | D345 | D345-S347 PolarHBondContact O-N 3.46Å; D345-S347 WeakPolarHBondContact OD1-CB 3.46Å; D345-S347 PolarHBondContact OD1-OG 3.18Å |
| 348 | H | 40.6 | Very low | 41 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -132.8 | 3 | -173.5 | -75.2 | -59.2 | 0 | 0 | 0 | 116.2 | D345 E346 H350 | D345-H348 PolarHBondContact O-N 3.2Å; E346-H348 PolarHBondContact O-N 3.22Å; H348-H350 PolarHBondContact O-N 3.13Å |
| 349 | S | 39.3 | Very low | 39.7 | Very low | 59 Ų | 59 | 138.1 Ų | 138.1 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | trans | -68 | 4.9 | -172.7 | 58.9 | 0 | 0 | 0 | 0 | 116.6 | E346 I351 | E346-S349 PolarHBondContact OE1-OG 2.83Å; S349-I351 PolarHBondContact O-N 3.05Å | ||
| 350 | H | 35.4 | Very low | 38.5 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | trans | -79.2 | 53 | 172.3 | -77.9 | -0.9 | 0 | 0 | 0 | 113.8 | H348 | H348-H350 PolarHBondContact O-N 3.13Š| ||
| 351 | I | 36 | Very low | 37.5 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -175 | 98.9 | 152.4 | -92.8 | 144.5 | 0 | 0 | 0 | 107.2 | S349 | S349-I351 PolarHBondContact O-N 3.05Š|
| 352 | Y | 30.4 | Very low | 36.5 | Very low | 228 Ų | 228 | 153.2 Ų | 153.2 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | 172.9 | 130.4 | 133.6 | -96.2 | -65.3 | 0 | 0 | 0 | 108.6 | ||||
| 353 | N | 27.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 152 Ų | 152 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | trans | -91.2 | 138.5 | -170.6 | -142.7 | 29.4 | 0 | 0 | 0 | 111.6 | E355 | N353-E355 PolarHBondContact ND2-OE2 3.24Å; N353-E355 PolarHBondContact O-N 3.13Å | ||
| 354 | W | 35.2 | Very low | 34.5 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | trans | -71.9 | 8.2 | -177 | -174.8 | -107.5 | 0 | 0 | 0 | 114.6 | R356 | W354-R356 VanDerWaalsContact C-N 3.29Å; W354-R356 PolarHBondContact O-N 3.02Å | ||
| 355 | E | 30.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 59.6 | -174.5 | -65.4 | 178.2 | 141.9 | 0 | 0 | 113 | N353 | N353-E355 PolarHBondContact ND2-OE2 3.24Å; N353-E355 PolarHBondContact O-N 3.13Å |
| 356 | R | 30.9 | Very low | 32.6 | Very low | 229 Ų | 229 | 163.3 Ų | 163.3 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 11 | 176.9 | -134.4 | -173.7 | -173.7 | -171 | 1.3 | 118.7 | W354 | W354-R356 VanDerWaalsContact C-N 3.29Å; W354-R356 PolarHBondContact O-N 3.02Å |
| 357 | Y | 32.7 | Very low | 31.7 | Very low | 218 Ų | 218 | 168.8 Ų | 168.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -119.4 | 8 | 172.2 | -95.1 | -73 | 0 | 0 | 0 | 115.7 | ||
| 358 | H | 31.3 | Very low | 30.9 | Very low | 191 Ų | 191 | 170.2 Ų | 170.2 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -130.3 | 68.3 | 172.8 | -84.3 | -53.6 | 0 | 0 | 0 | 113 | ||
| 359 | E | 27.9 | Very low | 30.2 | Very low | 197 Ų | 197 | 169.5 Ų | 169.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -173.6 | 102.8 | 142.9 | -108.9 | 171.8 | -159.5 | 0 | 0 | 110.3 | ||||
| 360 | S | 27.3 | Very low | 29.6 | Very low | 125 Ų | 125 | 174.9 Ų | 174.9 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -158.3 | 53.6 | 172.2 | -163.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 361 | Q | 30.6 | Very low | 29 | Very low | 171 Ų | 171 | 172 Ų | 172 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 154.8 | 159.1 | -73.7 | -161.3 | 13.2 | 0 | 0 | 109.6 | ||||
| 362 | F | 27.7 | Very low | 28.5 | Very low | 203 Ų | 203 | 170.3 Ų | 170.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 75.4 | 140.8 | -172.3 | -60.3 | -79.5 | 0 | 0 | 0 | 116.3 | ||||
| 363 | S | 28.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 168.3 Ų | 168.3 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -111.2 | 160.4 | -172 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 364 | D | 28.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 170.9 Ų | 170.9 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | -176.7 | 178.7 | 108.4 | -90 | -5.9 | 0 | 0 | 0 | 111.3 | |||||
| 365 | H | 28.3 | Very low | 27.8 | Very low | 172 Ų | 172 | 163 Ų | 163 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 143.8 | -171.3 | -56.6 | -2.3 | 0 | 0 | 0 | 113.3 | ||||
| 366 | D | 25.9 | Very low | 27.8 | Very low | 152 Ų | 152 | 163.3 Ų | 163.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | -178.7 | 139.5 | 102.8 | -97.6 | -20.2 | 0 | 0 | 0 | 112.8 | |||||
| 367 | W | 26.7 | Very low | 27.6 | Very low | 255 Ų | 255 | 161.1 Ų | 161.1 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 129.9 | 171.3 | -80.2 | 98.1 | 0 | 0 | 0 | 111.4 | ||||
| 368 | P | 27.7 | Very low | 27.5 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -119.1 | 137.7 | 149.7 | 32.4 | -21.6 | 0 | 0 | 0 | 112.5 | ||||
| 369 | I | 26.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 137.3 | -179.5 | -65.5 | 156.4 | 0 | 0 | 0 | 110.8 | ||||
| 370 | H | 26.4 | Very low | 27.4 | Very low | 172 Ų | 172 | 159.3 Ų | 159.3 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | -173 | 135.7 | 123.4 | -98.6 | -59.6 | 0 | 0 | 0 | 115.4 | |||||
| 371 | N | 23.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | trans | -32.4 | 157 | 165.7 | -34.7 | -12.3 | 0 | 0 | 0 | 114.8 | ||||
| 372 | N | 24.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 157 Ų | 157 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | 179.2 | 149.1 | 63 | -123.9 | -6.8 | 0 | 0 | 0 | 112.1 | |||||
| 373 | Y | 27.9 | Very low | 27.9 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | trans | 62.5 | 146.4 | 161.6 | -53.7 | -57.5 | 0 | 0 | 0 | 118.3 | ||||
| 374 | E | 26.3 | Very low | 28 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | cis | -149.1 | 171.9 | -18.1 | -137.9 | 157.1 | -156.5 | 0 | 0 | 110.6 | ||||
| 375 | A | 25 | Very low | 27.9 | Very low | 83 Ų | 83 | 158.6 Ų | 158.6 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 157.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 376 | D | 29.5 | Very low | 27.9 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | -141.4 | 140.1 | 133.5 | -122.7 | -27 | 0 | 0 | 0 | 108.6 | ||||
| 377 | E | 27.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -101.5 | 132 | -166 | -64.9 | -175.5 | 127.5 | 0 | 0 | 113.3 | ||||
| 378 | V | 30.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -119.9 | 121.3 | 161.7 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | R380 | V378-R380 PolarHBondContact O-N 3.24Š| ||
| 379 | Q | 29.5 | Very low | 28.1 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 119.1 | -172.9 | -61.8 | 179.8 | -68.4 | 0 | 0 | 111.6 | ||
| 380 | R | 27.6 | Very low | 28.6 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 143 | 163.9 | -65.9 | -173.3 | 178.8 | -167.7 | -0.8 | 109.8 | V378 P382 | V378-R380 PolarHBondContact O-N 3.24Å; R380-P382 WeakPolarHBondContact O-CD 3.44Å |
| 381 | D | 30.2 | Very low | 28.7 | Very low | 126 Ų | 126 | 151 Ų | 151 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 121 | 171.8 | -167 | -28.8 | 0 | 0 | 0 | 109.9 | R383 | D381-R383 VanDerWaalsContact C-N 3.35Å; D381-R383 PolarHBondContact O-N 3.37Å |
| 382 | P | 31.6 | Very low | 29.2 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -80.5 | 75.1 | -175.9 | 33.8 | -36.4 | 0 | 0 | 0 | 112 | R380 | R380-P382 WeakPolarHBondContact O-CD 3.44Š|
| 383 | R | 33.2 | Very low | 29.8 | Very low | 220 Ų | 220 | 155 Ų | 155 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -151.8 | 15.2 | 171.8 | -132.3 | 176.1 | -57.7 | -179.5 | 9.7 | 118.6 | D381 | D381-R383 VanDerWaalsContact C-N 3.35Å; D381-R383 PolarHBondContact O-N 3.37Å | ||
| 384 | A | 31.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -107.4 | 101.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 385 | L | 26.5 | Very low | 30.9 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -170.4 | 143.5 | 166.6 | -112.6 | 166.5 | 0 | 0 | 0 | 109.3 | ||||
| 386 | S | 27.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 58.9 | 136.8 | -172.7 | 41.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 387 | D | 26.4 | Very low | 31.7 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | cis | -143.6 | 173 | -3.6 | -97 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 388 | V | 32.6 | Very low | 32.1 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -93.4 | 125.5 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | T | 26.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | -140.3 | 141.9 | 157.1 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | E391 | T389-E391 PolarHBondContact O-N 3.28Š| ||
| 390 | D | 36.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | -68 | 124.8 | 172.1 | -50 | -78 | 0 | 0 | 0 | 109.5 | ||||
| 391 | E | 28 | Very low | 33.6 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | -124.7 | 131.3 | 172.8 | -68.4 | -161.9 | 164 | 0 | 0 | 110.5 | T389 | T389-E391 PolarHBondContact O-N 3.28Š| ||
| 392 | E | 35.4 | Very low | 33.7 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | trans | -72.3 | 141.7 | 171.4 | -62.2 | 172.3 | 143.2 | 0 | 0 | 109.7 | V394 | E392-V394 VanDerWaalsContact C-N 3.28Å; E392-V394 PolarHBondContact O-N 3.26Å | ||
| 393 | E | 36.2 | Very low | 33.7 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 62% | 0.617 | 71% | 0.711 | S | S | * | * | trans | -68.9 | 73.2 | -176.8 | -72.9 | -163.6 | 151.5 | 0 | 0 | 113.2 | K211 | K211-E393 IonicContact NZ-OE2 2.71Å; K211-E393 PolarHBondContact NZ-OE2 3.29Å | ||
| 394 | V | 37 | Very low | 33.5 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | -65.3 | 133.2 | 164.9 | -179.6 | 0 | 0 | 0 | 0 | 109 | E392 V396 | E392-V394 VanDerWaalsContact C-N 3.28Å; E392-V394 PolarHBondContact O-N 3.26Å; V394-V396 WeakPolarHBondContact O-CG2 3.29Å; V394-V396 PolarHBondContact O-N 2.69Å | ||
| 395 | Q | 40.1 | Very low | 33.4 | Very low | 82 Ų | 82 | 132 Ų | 132 | 38% | 0.383 | 70% | 0.703 | S | S | . | * | trans | -59.5 | 103.1 | 174.2 | -66.3 | -169.7 | 23.8 | 0 | 0 | 110.8 | M302 D397 | M302-Q395 HydrophobicContact CE-CB 3.92Å; M302-Q395 VanDerWaalsContact CE-OE1 3.26Å; Q395-D397 PolarHBondContact O-N 2.69Å | ||
| 396 | V | 34.1 | Very low | 33.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | trans | -74.6 | 97.5 | -176.2 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | V394 P398 | V394-V396 WeakPolarHBondContact O-CG2 3.29Å; V394-V396 PolarHBondContact O-N 2.69Å; V396-P398 WeakPolarHBondContact O-CD 3.17Å | ||
| 397 | D | 38.9 | Very low | 33.4 | Very low | 36 Ų | 36 | 134.1 Ų | 134.1 | 19% | 0.193 | 69% | 0.69 | C | S | . | * | trans | -60.3 | 114.3 | 174.4 | -173.9 | -12.9 | 0 | 0 | 0 | 111.7 | Q395 R399 K400 | Q395-D397 PolarHBondContact O-N 2.69Å; D397-R399 VanDerWaalsContact CG-NE 3.35Å; D397-R399 PolarHBondContact O-N 3.07Å; D397-R399 VanDerWaalsContact O-N 3.1Å; D397-R399 WeakPolarHBondContact OD1-CB 3.4Å; D397-R399 VanDerWaalsContact OD1-CG 3.26Å; D397-R399 WeakPolarHBondContact OD1-CG 3.49Å; D397-R399 IonicContact OD1-CZ 3.33Å; D397-R399 PolarHBondContact OD1-N 2.99Å; D397-R399 IonicContact OD1-NE 3.98Å; D397-R399 PolarHBondContact OD1-NE 2.75Å; D397-R399 IonicContact OD1-NH2 2.78Å; D397-R399 IonicContact OD2-CZ 3.92Å; D397-R399 IonicContact OD2-NE 3.77Å; D397-R399 PolarHBondContact OD2-NE 3.02Å; D397-R399 VanDerWaalsContact OD2-NE 3.08Å; D397-R399 IonicContact OD2-NH2 3.99Å; D397-R399 PolarHBondContact OD2-NH2 3.1Å; D397-K400 PolarHBondContact O-N 3.02Å | ||
| 398 | P | 35.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -62.8 | -17.2 | 179.2 | -22 | 34.8 | 0 | 0 | 0 | 114.2 | V396 K400 | V396-P398 WeakPolarHBondContact O-CD 3.17Å; P398-K400 VanDerWaalsContact C-N 3.34Å |
| 399 | R | 46.8 | Very low | 32.9 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 33% | 0.328 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -76.8 | -17.5 | -175.4 | -57 | 169.2 | -63 | -174 | 10 | 112.8 | E254 D397 Y401 L402 | E254-R399 WeakPolarHBondContact OE1-CD 3.47Å; E254-R399 IonicContact OE1-CZ 2.94Å; E254-R399 IonicContact OE1-NE 2.72Å; E254-R399 IonicContact OE1-NH1 3.31Å; E254-R399 PolarHBondContact OE1-NH1 3.4Å; D397-R399 VanDerWaalsContact CG-NE 3.35Å; D397-R399 PolarHBondContact O-N 3.07Å; D397-R399 VanDerWaalsContact O-N 3.1Å; D397-R399 WeakPolarHBondContact OD1-CB 3.4Å; D397-R399 VanDerWaalsContact OD1-CG 3.26Å; D397-R399 WeakPolarHBondContact OD1-CG 3.49Å; D397-R399 IonicContact OD1-CZ 3.33Å; D397-R399 PolarHBondContact OD1-N 2.99Å; D397-R399 IonicContact OD1-NE 3.98Å; D397-R399 PolarHBondContact OD1-NE 2.75Å; D397-R399 IonicContact OD1-NH2 2.78Å; D397-R399 IonicContact OD2-CZ 3.92Å; D397-R399 IonicContact OD2-NE 3.77Å; D397-R399 PolarHBondContact OD2-NE 3.02Å; D397-R399 VanDerWaalsContact OD2-NE 3.08Å; D397-R399 IonicContact OD2-NH2 3.99Å; D397-R399 PolarHBondContact OD2-NH2 3.1Å; R399-Y401 PolarHBondContact O-N 3.44Å; R399-L402 PolarHBondContact O-N 2.81Å |
| 400 | K | 36.4 | Very low | 32.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -63 | -8.2 | -178.7 | -87.8 | -178.3 | 176.7 | 171.5 | 0 | 115.9 | D397 P398 | D397-K400 PolarHBondContact O-N 3.02Å; P398-K400 VanDerWaalsContact C-N 3.34Å |
| 401 | Y | 35.3 | Very low | 32.3 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -104.6 | 13.3 | -179.8 | -65 | -76.6 | 0 | 0 | 0 | 114.5 | R399 | R399-Y401 PolarHBondContact O-N 3.44Š|
| 402 | L | 33.2 | Very low | 32 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -111 | 44.4 | -179.1 | -78 | 171.8 | 0 | 0 | 0 | 114.2 | R399 | R399-L402 PolarHBondContact O-N 2.81Š|
| 403 | D | 32.1 | Very low | 32 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -154.8 | 152.8 | 153.6 | -125.7 | -24.5 | 0 | 0 | 0 | 111.5 | ||||
| 404 | G | 28.3 | Very low | 31.4 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | -177.7 | 121.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 405 | D | 28.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | trans | -156.3 | 110.3 | 156 | -127.1 | -9.9 | 0 | 0 | 0 | 112.9 | ||||
| 406 | R | 27 | Very low | 30 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 73% | 0.725 | 71% | 0.714 | S | S | * | * | trans | 67.3 | 121.6 | 137.3 | -67.3 | 170.2 | 80.6 | 155.4 | 9.8 | 124.4 | ||||
| 407 | E | 26.9 | Very low | 29.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 57% | 0.565 | 71% | 0.712 | S | S | * | * | 75.6 | 105.2 | 128.9 | -69.7 | 179.2 | -137.5 | 0 | 0 | 121.3 | |||||
| 408 | K | 25.2 | Very low | 28.6 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | -172.1 | 157.3 | 91.9 | -106.5 | 147 | -167.3 | 157.6 | 0 | 116.2 | |||||
| 409 | Y | 23.3 | Very low | 28 | Very low | 228 Ų | 228 | 152.3 Ų | 152.3 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | trans | -79.6 | 151.6 | 172.3 | -78.4 | -112.1 | 0 | 0 | 0 | 112.3 | ||||
| 410 | L | 26 | Very low | 26.8 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | -158.8 | 177.2 | 127.5 | -108.1 | 167.7 | 0 | 0 | 0 | 110.3 | |||||
| 411 | E | 24.2 | Very low | 26.1 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 162.4 | -151.4 | -63.4 | 168.9 | 133.5 | 0 | 0 | 116.6 | ||||
| 412 | D | 22.1 | Very low | 25.5 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -65.9 | -174.6 | 170.6 | -142.5 | 25.4 | 0 | 0 | 0 | 112 | ||||
| 413 | P | 34.8 | Very low | 25.1 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | cis | -140.9 | -175.9 | 2.1 | 39.9 | -18.9 | 0 | 0 | 0 | 116.9 | ||||
| 414 | A | 23.4 | Very low | 24.6 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | 140.9 | 119.7 | 116.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 415 | F | 23.3 | Very low | 24.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 156.2 | 147.2 | -75.1 | -113.9 | 0 | 0 | 0 | 118.2 | ||||
| 416 | D | 23.4 | Very low | 23.9 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -146.7 | 172.8 | 5.5 | -148.1 | -17.8 | 0 | 0 | 0 | 112.4 | ||||
| 417 | T | 22.7 | Very low | 23.7 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -120.8 | 135.3 | -174.8 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 418 | H | 22.9 | Very low | 23.6 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -155.7 | 137 | 161.8 | -102.4 | -67.1 | 0 | 0 | 0 | 115.6 | ||||
| 419 | F | 21.5 | Very low | 23.5 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -95.7 | 155 | 175.9 | -77.6 | -104.4 | 0 | 0 | 0 | 113.4 | ||||
| 420 | S | 21.5 | Very low | 23.7 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -170.4 | 110.4 | 138.5 | -76.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | T | 21.7 | Very low | 23.8 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | 83.9 | 127.8 | 79.6 | -55.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 422 | E | 22.7 | Very low | 23.9 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -72.7 | -178.5 | -176.4 | -48.3 | -177.9 | 150.7 | 0 | 0 | 114.9 | ||||
| 423 | P | 24.9 | Very low | 24.3 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -139.7 | 141.6 | 85.2 | 35 | -19 | 0 | 0 | 0 | 116.8 | |||||
| 424 | C | 21.6 | Very low | 23.9 | Very low | 88 Ų | 88 | 151.6 Ų | 151.6 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 158.1 | 172 | 175.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 425 | W | 22.4 | Very low | 24.1 | Very low | 247 Ų | 247 | 157.2 Ų | 157.2 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | trans | -131.4 | 120.4 | 159.5 | -83.1 | 98.1 | 0 | 0 | 0 | 112.3 | ||||
| 426 | Q | 21.2 | Very low | 24.2 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 71% | 0.71 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 169.2 | 166.5 | -71.4 | 174.6 | -24.3 | 0 | 0 | 111.5 | ||||
| 427 | Y | 22.6 | Very low | 24.3 | Very low | 187 Ų | 187 | 154 Ų | 154 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | -161.6 | 159.8 | -4.3 | -128.3 | -60.4 | 0 | 0 | 0 | 106.3 | ||||
| 428 | S | 24.1 | Very low | 24.6 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 172.9 | 107.7 | 135.7 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 429 | D | 23.6 | Very low | 24.7 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | -77.7 | 148.4 | 164.5 | -55 | -77.6 | 0 | 0 | 0 | 111.6 | ||||
| 430 | H | 26.9 | Very low | 25 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 119.5 | 150.3 | -92 | -48.7 | 0 | 0 | 0 | 111 | ||||
| 431 | H | 29.2 | Very low | 25.2 | Very low | 195 Ų | 195 | 154 Ų | 154 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 130.6 | 167 | -75.1 | -96.1 | 0 | 0 | 0 | 110.9 | ||||
| 432 | E | 25.9 | Very low | 25.5 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -138.3 | 131.3 | 156.8 | -75.5 | -163.6 | 146.6 | 0 | 0 | 110.4 | ||||
| 433 | N | 30.3 | Very low | 25.6 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 132.9 | 170.5 | -73.9 | -18.7 | 0 | 0 | 0 | 110.2 | ||||
| 434 | K | 25.6 | Very low | 25.7 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | trans | -128 | 104.5 | 166.9 | -73.6 | -175.2 | 179 | 171.2 | 0 | 111.3 | ||||
| 435 | Y | 27.5 | Very low | 25.8 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -87.8 | 164.9 | 157.5 | -103.7 | -101 | 0 | 0 | 0 | 109.4 | ||||
| 436 | C | 26.7 | Very low | 25.9 | Very low | 112 Ų | 112 | 154.7 Ų | 154.7 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 151.6 | 179.3 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 437 | D | 25.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -128.3 | 152.2 | 10.6 | -72.2 | -66.3 | 0 | 0 | 0 | 112.7 | ||||
| 438 | L | 29.8 | Very low | 26.5 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -166.4 | 114.7 | 141.9 | -111.5 | 163.4 | 0 | 0 | 0 | 110 | ||||
| 439 | E | 24.6 | Very low | 26.6 | Very low | 188 Ų | 188 | 163.8 Ų | 163.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -85.1 | 128.9 | 177.5 | -62.5 | -178.5 | 124 | 0 | 0 | 111.2 | ||||
| 440 | C | 27.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 163 Ų | 163 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -146.1 | 98.2 | 153.3 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 441 | S | 24.7 | Very low | 27 | Very low | 103 Ų | 103 | 158.5 Ų | 158.5 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -89.2 | 107.9 | 179 | 60 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 442 | H | 28.3 | Very low | 27.1 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -149.2 | 111.7 | 156.6 | -86 | -46.2 | 0 | 0 | 0 | 113.7 | C444 | H442-C444 PolarHBondContact O-N 3.46Š| ||
| 443 | T | 25.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 156.8 Ų | 156.8 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -80.3 | 106 | 174.6 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 444 | C | 26.3 | Very low | 27.3 | Very low | 125 Ų | 125 | 156 Ų | 156 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -101.4 | 127.3 | 173.9 | -68.7 | 0 | 0 | 0 | 0 | 110.6 | H442 | H442-C444 PolarHBondContact O-N 3.46Š| ||
| 445 | N | 24.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -138.6 | 128.2 | -168.6 | -146.7 | -16.6 | 0 | 0 | 0 | 112.6 | ||||
| 446 | Y | 24 | Very low | 27.8 | Very low | 193 Ų | 193 | 151 Ų | 151 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 58.7 | 118.8 | 176.4 | -66.7 | -79.1 | 0 | 0 | 0 | 119.9 | ||||
| 447 | K | 25.2 | Very low | 28 | Very low | 212 Ų | 212 | 152.9 Ų | 152.9 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | -158.1 | 159.7 | 94.7 | -107.1 | 166.9 | -172.8 | 169.2 | 0 | 113.3 | |||||
| 448 | M | 31.4 | Very low | 28.4 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -139.7 | 122.7 | -170.3 | 170.3 | -165.4 | 176.7 | 0 | 0 | 109.3 | ||||
| 449 | R | 25.5 | Very low | 28.6 | Very low | 242 Ų | 242 | 154.4 Ų | 154.4 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | 175.1 | 145.9 | 162.2 | -100.9 | 174 | -179.4 | -168.2 | -2.1 | 108 | ||||
| 450 | S | 27.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 156.4 Ų | 156.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -157.1 | 153.6 | -2.9 | 37.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 451 | S | 31.4 | Very low | 29 | Very low | 83 Ų | 83 | 159.2 Ų | 159.2 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | trans | -54.4 | 146.7 | 177 | 166.1 | 0 | 0 | 0 | 0 | 114.3 | D455 | S451-D455 WeakPolarHBondContact CB-OD2 3.25Å; S451-D455 PolarHBondContact OG-OD2 3.44Å | ||
| 452 | S | 31.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 158.7 Ų | 158.7 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -144.4 | 149.3 | 144.8 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | L454 | S452-L454 PolarHBondContact O-N 2.74Š| ||
| 453 | Y | 28.4 | Very low | 29.3 | Very low | 217 Ų | 217 | 158.9 Ų | 158.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 75 | -35.8 | 161.4 | -118.5 | -96 | 0 | 0 | 0 | 122.4 | ||
| 454 | L | 31.2 | Very low | 29.6 | Very low | 150 Ų | 150 | 157.9 Ų | 157.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -83.3 | -19.5 | -177.4 | -72 | 178.7 | 0 | 0 | 0 | 115.6 | S452 N456 | S452-L454 PolarHBondContact O-N 2.74Å; L454-N456 PolarHBondContact O-N 2.93Å |
| 455 | D | 31.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 158.5 Ų | 158.5 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -63.3 | -4.8 | -177.2 | -73.5 | -54.5 | 0 | 0 | 0 | 115.4 | S451 | S451-D455 WeakPolarHBondContact CB-OD2 3.25Å; S451-D455 PolarHBondContact OG-OD2 3.44Å |
| 456 | N | 32.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 160 Ų | 160 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -105.5 | -2.6 | -172.1 | -77.9 | -39.5 | 0 | 0 | 0 | 116 | L454 | L454-N456 PolarHBondContact O-N 2.93Š|
| 457 | L | 31.5 | Very low | 29.7 | Very low | 152 Ų | 152 | 161.4 Ų | 161.4 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -90.6 | -10.6 | -178.1 | -111.4 | 75.4 | 0 | 0 | 0 | 115.3 | W459 | L457-W459 PolarHBondContact O-N 2.7Š|
| 458 | V | 33.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 161.9 Ų | 161.9 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -83.2 | 22.9 | -167.1 | -162.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 459 | W | 32.8 | Very low | 29.7 | Very low | 235 Ų | 235 | 161.1 Ų | 161.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -146.8 | 64.2 | -176.4 | -74.4 | 107 | 0 | 0 | 0 | 115.2 | L457 | L457-W459 PolarHBondContact O-N 2.7Š| ||
| 460 | R | 28.2 | Very low | 29.8 | Very low | 230 Ų | 230 | 155.3 Ų | 155.3 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -154.2 | 60.9 | 151.4 | -79 | -145.9 | -177.5 | -166.7 | 2.8 | 113.9 | S462 | R460-S462 PolarHBondContact O-N 3.21Š| ||
| 461 | D | 33.4 | Very low | 29.8 | Very low | 179 Ų | 179 | 158.9 Ų | 158.9 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 68 | 162.5 | -88.4 | -38.5 | 0 | 0 | 0 | 111.7 | ||||
| 462 | S | 32.8 | Very low | 29.7 | Very low | 93 Ų | 93 | 162.3 Ų | 162.3 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -174.2 | 91.8 | 161.7 | 60 | 0 | 0 | 0 | 0 | 112.9 | R460 | R460-S462 PolarHBondContact O-N 3.21Š| ||
| 463 | E | 27.3 | Very low | 29.5 | Very low | 174 Ų | 174 | 163.4 Ų | 163.4 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 179.2 | 127.1 | 134 | -101.8 | 163.4 | -161.6 | 0 | 0 | 111 | N465 | E463-N465 PolarHBondContact O-N 2.86Š| ||
| 464 | V | 30.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -89.8 | 90.7 | -174.1 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | H466 | V464-H466 PolarHBondContact O-N 3.45Š| ||
| 465 | N | 25.7 | Very low | 30.3 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -77.6 | 106 | 172.6 | -80.5 | -53 | 0 | 0 | 0 | 111.1 | E463 Y467 | E463-N465 PolarHBondContact O-N 2.86Å; N465-Y467 PolarHBondContact O-N 3.04Å | ||
| 466 | H | 28.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 90.2 | 172.3 | -71.3 | -7.1 | 0 | 0 | 0 | 111.5 | V464 | V464-H466 PolarHBondContact O-N 3.45Š| ||
| 467 | Y | 24.3 | Very low | 31.3 | Very low | 221 Ų | 221 | 147 Ų | 147 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -75.7 | 124.2 | 159.7 | -99.4 | -92.7 | 0 | 0 | 0 | 109.9 | N465 | N465-Y467 PolarHBondContact O-N 3.04Š| ||
| 468 | Y | 26.3 | Very low | 31.5 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | trans | -102.2 | 83.1 | -171.4 | -149.6 | -82.4 | 0 | 0 | 0 | 109.8 | ||||
| 469 | E | 30.5 | Very low | 31.7 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | -67.5 | 137 | -177.6 | -67.7 | -171.3 | 145.8 | 0 | 0 | 112.8 | K471 | E469-K471 PolarHBondContact O-N 3.13Å; E469-K471 VanDerWaalsContact O-N 3.13Å | ||
| 470 | P | 26.4 | Very low | 32 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | trans | -73.7 | 103.2 | 172.1 | 30.2 | -32.5 | 0 | 0 | 0 | 110 | L472 | P470-L472 PolarHBondContact O-N 3.21Š| ||
| 471 | K | 28.4 | Very low | 32.5 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | trans | -61.2 | 87.8 | -178 | -67.2 | -172.7 | 175.3 | -169 | 0 | 113.9 | E469 I473 | E469-K471 PolarHBondContact O-N 3.13Å; E469-K471 VanDerWaalsContact O-N 3.13Å; K471-I473 VanDerWaalsContact C-N 3.3Å; K471-I473 HydrophobicContact CB-CD1 4.35Å; K471-I473 HydrophobicContact CB-CG1 4.3Å; K471-I473 HydrophobicContact CD-CD1 4.33Å; K471-I473 PolarHBondContact O-N 3.48Å | ||
| 472 | L | 28.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | trans | -83.5 | 76 | 159.9 | -83.2 | 166.4 | 0 | 0 | 0 | 109.5 | P470 I474 | P470-L472 PolarHBondContact O-N 3.21Å; L472-I474 PolarHBondContact O-N 2.83Å | ||
| 473 | I | 28.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 65% | 0.651 | 65% | 0.646 | S | S | * | * | trans | -71.1 | 106.5 | 173 | -66.9 | 163.9 | 0 | 0 | 0 | 108.3 | K471 D475 | K471-I473 VanDerWaalsContact C-N 3.3Å; K471-I473 HydrophobicContact CB-CD1 4.35Å; K471-I473 HydrophobicContact CB-CG1 4.3Å; K471-I473 HydrophobicContact CD-CD1 4.33Å; K471-I473 PolarHBondContact O-N 3.48Å; I473-D475 HydrophobicContact CG2-CB 3.8Å; I473-D475 PolarHBondContact O-N 2.83Å | ||
| 474 | I | 39.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | trans | -90.1 | 61.5 | 174.2 | -59.3 | 179.8 | 0 | 0 | 0 | 108.5 | L472 L476 | L472-I474 PolarHBondContact O-N 2.83Å; I474-L476 VanDerWaalsContact C-N 3.3Å; I474-L476 HydrophobicContact CG2-CD1 3.67Å; I474-L476 HydrophobicContact CG2-CD2 4.29Å; I474-L476 HydrophobicContact CG2-CG 3.68Å; I474-L476 PolarHBondContact O-N 3.31Å | ||
| 475 | D | 35.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 40% | 0.401 | 65% | 0.645 | S | S | . | * | trans | -77.4 | 83.2 | 172.3 | 176.2 | 16.3 | 0 | 0 | 0 | 110.3 | I473 S477 N478 | I473-D475 HydrophobicContact CG2-CB 3.8Å; I473-D475 PolarHBondContact O-N 2.83Å; D475-S477 WeakPolarHBondContact OD1-CB 3.2Å; D475-S477 PolarHBondContact OD1-N 3.44Å; D475-S477 PolarHBondContact OD1-OG 2.85Å; D475-N478 PolarHBondContact OD1-N 3.44Å; D475-N478 PolarHBondContact OD2-ND2 3.17Å | ||
| 476 | L | 43.9 | Very low | 33.8 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 34% | 0.34 | 64% | 0.643 | S | S | . | * | trans | -76.7 | -11 | 174.8 | -65.2 | 166.1 | 0 | 0 | 0 | 112.8 | L204 V262 I474 | L204-L476 WeakPolarHBondContact O-CD1 3.49Å; V262-L476 HydrophobicContact CG1-CD1 3.64Å; V262-L476 HydrophobicContact CG1-CD2 4.17Å; V262-L476 HydrophobicContact CG2-CD1 4.42Å; V262-L476 HydrophobicContact CG2-CD2 4.28Å; I474-L476 VanDerWaalsContact C-N 3.3Å; I474-L476 HydrophobicContact CG2-CD1 3.67Å; I474-L476 HydrophobicContact CG2-CD2 4.29Å; I474-L476 HydrophobicContact CG2-CG 3.68Å; I474-L476 PolarHBondContact O-N 3.31Å | ||
| 477 | S | 40.4 | Very low | 34 | Very low | 46 Ų | 46 | 133.9 Ų | 133.9 | 32% | 0.322 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.4 | -42.9 | -174.8 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | D475 | D475-S477 WeakPolarHBondContact OD1-CB 3.2Å; D475-S477 PolarHBondContact OD1-N 3.44Å; D475-S477 PolarHBondContact OD1-OG 2.85Å |
| 478 | N | 36.3 | Very low | 34.8 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 47% | 0.465 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -15.6 | -174.1 | -80.1 | -58.4 | 0 | 0 | 0 | 114.7 | D475 | D475-N478 PolarHBondContact OD1-N 3.44Å; D475-N478 PolarHBondContact OD2-ND2 3.17Å |
| 479 | W | 38 | Very low | 35.2 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 74% | 0.739 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.5 | -35.7 | -177.6 | -164.6 | -76.6 | 0 | 0 | 0 | 112.8 | E481 Q482 S483 | W479-E481 VanDerWaalsContact C-N 3.27Å; W479-E481 PolarHBondContact O-N 3.24Å; W479-Q482 PolarHBondContact O-N 2.92Å; W479-S483 PolarHBondContact O-N 2.89Å; W479-S483 PolarHBondContact O-OG 3.46Å |
| 480 | K | 38.7 | Very low | 35.5 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.8 | -21.8 | -172.2 | -150 | 166.2 | -171 | 169.1 | 0 | 113.4 | S483 | K480-S483 PolarHBondContact O-OG 2.82Å |
| 481 | E | 38.7 | Very low | 35.7 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -84.7 | -41 | 173.8 | -60.8 | -168.7 | 169.4 | 0 | 0 | 111 | K185 W479 S483 K484 | K185-E481 IonicContact NZ-OE1 3.08Å; K185-E481 PolarHBondContact NZ-OE1 2.8Å; W479-E481 VanDerWaalsContact C-N 3.27Å; W479-E481 PolarHBondContact O-N 3.24Å; E481-S483 PolarHBondContact O-N 2.76Å; E481-S483 VanDerWaalsContact O-N 3.15Å; E481-K484 PolarHBondContact O-N 3.27Å |
| 482 | Q | 33.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.6 | -21.5 | 175.2 | -67.1 | -169.1 | 29.3 | 0 | 0 | 114.7 | W479 | W479-Q482 PolarHBondContact O-N 2.92Å |
| 483 | S | 36.6 | Very low | 36.5 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -26.3 | 173.1 | 40.5 | 0 | 0 | 0 | 0 | 113.9 | W479 K480 E481 | W479-S483 PolarHBondContact O-N 2.89Å; W479-S483 PolarHBondContact O-OG 3.46Å; K480-S483 PolarHBondContact O-OG 2.82Å; E481-S483 PolarHBondContact O-N 2.76Å; E481-S483 VanDerWaalsContact O-N 3.15Å |
| 484 | K | 35.9 | Very low | 36.9 | Very low | 177 Ų | 177 | 133 Ų | 133 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -26.5 | -178.1 | -80.6 | -174.3 | 172.5 | -179.3 | 0 | 113.7 | E481 | E481-K484 PolarHBondContact O-N 3.27Š|
| 485 | E | 35 | Very low | 36.9 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -79.9 | -13.3 | 177.9 | -66.9 | -161.2 | 122.2 | 0 | 0 | 114.5 | S487 | E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 3.01Å |
| 486 | K | 36.2 | Very low | 37.4 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 68% | 0.683 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -88.4 | 9.8 | -172 | -72.9 | 174.5 | -175 | 161.7 | 0 | 114.8 | D488 | K486-D488 VanDerWaalsContact C-N 3.28Å; K486-D488 PolarHBondContact O-N 2.7Å |
| 487 | S | 32.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -80.3 | 1.4 | 173.1 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | E485 | E485-S487 VanDerWaalsContact C-N 3.33Å; E485-S487 PolarHBondContact O-N 3.01Å |
| 488 | D | 41.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -142.8 | 82.6 | -175.4 | -141.7 | -18.4 | 0 | 0 | 0 | 115.7 | K486 | K486-D488 VanDerWaalsContact C-N 3.28Å; K486-D488 PolarHBondContact O-N 2.7Å |
| 489 | K | 34.3 | Very low | 37.6 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | 177 | 121.6 | 139.5 | -92.5 | 140.5 | -153.5 | 145 | 0 | 112.7 | ||||
| 490 | K | 36.6 | Very low | 37.9 | Very low | 222 Ų | 222 | 143.4 Ų | 143.4 | 97% | 0.965 | 74% | 0.736 | S | S | * | * | trans | -80.5 | 120.7 | 164.3 | -78.5 | 173.2 | 177.2 | 164.3 | 0 | 110.3 | ||||
| 491 | G | 30.6 | Very low | 38.2 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -155.8 | 123.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 492 | K | 37.5 | Very low | 38.4 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 96% | 0.957 | 74% | 0.737 | S | S | * | * | trans | -83.5 | 134.7 | 177.3 | -67 | 178.1 | 179.8 | 175.9 | 0 | 110.7 | ||||
| 493 | S | 34.7 | Very low | 39.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -135.3 | 160.5 | 155.3 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 494 | K | 38.8 | Very low | 39.6 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -126.1 | 59.8 | -163.4 | -168.2 | -172.8 | 177.7 | -175.1 | 0 | 111 | ||||
| 495 | C | 38.7 | Very low | 40.6 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -139.3 | 19.1 | -168.3 | -141.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 496 | E | 45.5 | Very low | 41.6 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -104.6 | -15.6 | -176.9 | -69.7 | 174.7 | 136 | 0 | 0 | 115.1 | N498 | E496-N498 VanDerWaalsContact C-N 3.33Å; E496-N498 PolarHBondContact O-N 3.31Å |
| 497 | K | 40.4 | Very low | 42.5 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.4 | -175.2 | -69.4 | -158.7 | 170.9 | -164.7 | 0 | 116 | ||
| 498 | N | 42.3 | Very low | 43.4 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -12.3 | -178.5 | -69.9 | 8.7 | 0 | 0 | 0 | 114.1 | E496 | E496-N498 VanDerWaalsContact C-N 3.33Å; E496-N498 PolarHBondContact O-N 3.31Å |
| 499 | G | 42.2 | Very low | 44 | Very low | 49 Ų | 49 | 131.2 Ų | 131.2 | 51% | 0.505 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -77.1 | -55.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V501 K502 A503 | G499-V501 VanDerWaalsContact C-N 3.3Å; G499-V501 PolarHBondContact O-N 2.98Å; G499-K502 PolarHBondContact O-N 2.97Å; G499-A503 PolarHBondContact O-N 2.9Å; G499-A503 VanDerWaalsContact O-N 3.13Å |
| 500 | L | 44.6 | Very low | 44.9 | Very low | 132 Ų | 132 | 124 Ų | 124 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -53.8 | -41.1 | -178.7 | -79.7 | 159.7 | 0 | 0 | 0 | 113.4 | K502 A503 Q504 | L500-K502 VanDerWaalsContact C-N 3.31Å; L500-K502 PolarHBondContact O-N 3.36Å; L500-A503 PolarHBondContact O-N 3.44Å; L500-Q504 WeakPolarHBondContact O-CB 3.29Å; L500-Q504 PolarHBondContact O-N 3.29Å |
| 501 | V | 45.8 | Very low | 45.6 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 53% | 0.527 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64 | -34.6 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | G499 I505 | G499-V501 VanDerWaalsContact C-N 3.3Å; G499-V501 PolarHBondContact O-N 2.98Å; V501-I505 HydrophobicContact CG1-CD1 4.18Å; V501-I505 WeakPolarHBondContact O-CD1 3.36Å; V501-I505 WeakPolarHBondContact O-CG1 3.47Å; V501-I505 PolarHBondContact O-N 2.94Å |
| 502 | K | 43.3 | Very low | 46.3 | Very low | 166 Ų | 166 | 119 Ų | 119 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.8 | -37.8 | 175 | -75 | -165.3 | 172.5 | -164.5 | 0 | 112.5 | G499 L500 Q504 A506 | G499-K502 PolarHBondContact O-N 2.97Å; L500-K502 VanDerWaalsContact C-N 3.31Å; L500-K502 PolarHBondContact O-N 3.36Å; K502-Q504 VanDerWaalsContact C-N 3.34Å; K502-A506 WeakPolarHBondContact O-CB 3.36Å; K502-A506 PolarHBondContact O-N 2.7Å; K502-A506 VanDerWaalsContact O-N 3.11Å |
| 503 | A | 47 | Very low | 46.7 | Very low | 63 Ų | 63 | 114.9 Ų | 114.9 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G499 L500 A506 L507 | G499-A503 PolarHBondContact O-N 2.9Å; G499-A503 VanDerWaalsContact O-N 3.13Å; L500-A503 PolarHBondContact O-N 3.44Å; A503-A506 PolarHBondContact O-N 3.23Å; A503-L507 WeakPolarHBondContact O-CB 3.46Å; A503-L507 PolarHBondContact O-N 3.15Å |
| 504 | Q | 48.2 | Very low | 47.1 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.8 | -49.8 | 177.1 | -159.7 | 75 | 40.7 | 0 | 0 | 111.9 | L500 K502 A506 L507 E508 | L500-Q504 WeakPolarHBondContact O-CB 3.29Å; L500-Q504 PolarHBondContact O-N 3.29Å; K502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-A506 PolarHBondContact O-N 3.28Å; Q504-L507 PolarHBondContact O-N 2.6Å; Q504-E508 WeakPolarHBondContact O-CB 3.35Å; Q504-E508 PolarHBondContact O-N 3.45Å |
| 505 | I | 57 | Low | 47.4 | Very low | 83 Ų | 83 | 108.5 Ų | 108.5 | 43% | 0.426 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | -179.8 | -66.9 | 165.7 | 0 | 0 | 0 | 111 | V501 L507 E508 E509 | V501-I505 HydrophobicContact CG1-CD1 4.18Å; V501-I505 WeakPolarHBondContact O-CD1 3.36Å; V501-I505 WeakPolarHBondContact O-CG1 3.47Å; V501-I505 PolarHBondContact O-N 2.94Å; I505-L507 VanDerWaalsContact C-N 3.29Å; I505-L507 PolarHBondContact O-N 3.07Å; I505-E508 PolarHBondContact O-N 3.49Å; I505-E508 VanDerWaalsContact O-N 3.16Å; I505-E509 HydrophobicContact CG2-CG 4.35Å; I505-E509 WeakPolarHBondContact O-CG 3.36Å; I505-E509 PolarHBondContact O-N 3.25Å |
| 506 | A | 55.9 | Low | 47.5 | Very low | 55 Ų | 55 | 109.9 Ų | 109.9 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.9 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K502 A503 Q504 A510 | K502-A506 WeakPolarHBondContact O-CB 3.36Å; K502-A506 PolarHBondContact O-N 2.7Å; K502-A506 VanDerWaalsContact O-N 3.11Å; A503-A506 PolarHBondContact O-N 3.23Å; Q504-A506 PolarHBondContact O-N 3.28Å; A506-A510 WeakPolarHBondContact O-CB 3.38Å; A506-A510 PolarHBondContact O-N 2.92Å; A506-A510 VanDerWaalsContact O-N 3.07Å |
| 507 | L | 53.8 | Low | 47.4 | Very low | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70 | -37.3 | 174.7 | -163.9 | 74.3 | 0 | 0 | 0 | 111.7 | A503 Q504 I505 S511 | A503-L507 WeakPolarHBondContact O-CB 3.46Å; A503-L507 PolarHBondContact O-N 3.15Å; Q504-L507 PolarHBondContact O-N 2.6Å; I505-L507 VanDerWaalsContact C-N 3.29Å; I505-L507 PolarHBondContact O-N 3.07Å; L507-S511 WeakPolarHBondContact O-CB 3.36Å; L507-S511 PolarHBondContact O-N 3.33Å |
| 508 | E | 52.8 | Low | 47.3 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.2 | -38.6 | 179.6 | -156.3 | 158.9 | -141.7 | 0 | 0 | 111.7 | Q504 I505 S511 Q512 | Q504-E508 WeakPolarHBondContact O-CB 3.35Å; Q504-E508 PolarHBondContact O-N 3.45Å; I505-E508 PolarHBondContact O-N 3.49Å; I505-E508 VanDerWaalsContact O-N 3.16Å; E508-S511 PolarHBondContact O-N 2.97Å; E508-Q512 WeakPolarHBondContact O-CG 3.44Å; E508-Q512 PolarHBondContact O-N 3.03Å |
| 509 | E | 54.3 | Low | 47.1 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -42.6 | 170.5 | -72.5 | 175.9 | 169.2 | 0 | 0 | 112.2 | I505 Q512 Q513 | I505-E509 HydrophobicContact CG2-CG 4.35Å; I505-E509 WeakPolarHBondContact O-CG 3.36Å; I505-E509 PolarHBondContact O-N 3.25Å; E509-Q512 PolarHBondContact O-N 3.24Å; E509-Q513 PolarHBondContact O-N 3.01Å |
| 510 | A | 53.9 | Low | 47 | Very low | 47 Ų | 47 | 116.5 Ų | 116.5 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A506 Q513 L514 | A506-A510 WeakPolarHBondContact O-CB 3.38Å; A506-A510 PolarHBondContact O-N 2.92Å; A506-A510 VanDerWaalsContact O-N 3.07Å; A510-Q513 PolarHBondContact O-N 3.21Å; A510-L514 PolarHBondContact O-N 2.99Å |
| 511 | S | 50.2 | Low | 46.7 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 177 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | L507 E508 Q513 L514 V515 | L507-S511 WeakPolarHBondContact O-CB 3.36Å; L507-S511 PolarHBondContact O-N 3.33Å; E508-S511 PolarHBondContact O-N 2.97Å; S511-Q513 PolarHBondContact O-N 2.68Å; S511-L514 PolarHBondContact O-N 3.01Å; S511-V515 PolarHBondContact O-N 3.19Å |
| 512 | Q | 44.8 | Very low | 46.5 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | 175.2 | -71.3 | 174.6 | 32.1 | 0 | 0 | 112.3 | E508 E509 L514 V515 E516 | E508-Q512 WeakPolarHBondContact O-CG 3.44Å; E508-Q512 PolarHBondContact O-N 3.03Å; E509-Q512 PolarHBondContact O-N 3.24Å; Q512-L514 VanDerWaalsContact C-N 3.29Å; Q512-L514 PolarHBondContact O-N 3.04Å; Q512-V515 PolarHBondContact O-N 3.37Å; Q512-E516 PolarHBondContact O-N 2.84Å; Q512-E516 VanDerWaalsContact O-N 3.16Å |
| 513 | Q | 46.2 | Very low | 46.3 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -30.2 | 176.6 | -68.9 | 176.6 | 33 | 0 | 0 | 113.1 | E509 A510 S511 K517 | E509-Q513 PolarHBondContact O-N 3.01Å; A510-Q513 PolarHBondContact O-N 3.21Å; S511-Q513 PolarHBondContact O-N 2.68Å; Q513-K517 WeakPolarHBondContact O-CB 3.35Å; Q513-K517 PolarHBondContact O-N 3.28Å |
| 514 | L | 44.3 | Very low | 45.9 | Very low | 114 Ų | 114 | 124 Ų | 124 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.4 | -42.5 | 173.4 | -75.6 | 164.1 | 0 | 0 | 0 | 111.8 | A510 S511 Q512 E516 K517 E518 | A510-L514 PolarHBondContact O-N 2.99Å; S511-L514 PolarHBondContact O-N 3.01Å; Q512-L514 VanDerWaalsContact C-N 3.29Å; Q512-L514 PolarHBondContact O-N 3.04Å; L514-E516 VanDerWaalsContact C-N 3.32Å; L514-E516 PolarHBondContact O-N 2.77Å; L514-K517 PolarHBondContact O-N 2.87Å; L514-K517 VanDerWaalsContact O-N 3.09Å; L514-E518 PolarHBondContact O-N 3.04Å |
| 515 | V | 43.9 | Very low | 45.9 | Very low | 79 Ų | 79 | 126 Ų | 126 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.7 | -31.9 | 179.2 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | S511 Q512 | S511-V515 PolarHBondContact O-N 3.19Å; Q512-V515 PolarHBondContact O-N 3.37Å |
| 516 | E | 41.7 | Very low | 45.6 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70 | -39.9 | 170.4 | -67.2 | -167.5 | 136.8 | 0 | 0 | 111.6 | Q512 L514 E518 R519 | Q512-E516 PolarHBondContact O-N 2.84Å; Q512-E516 VanDerWaalsContact O-N 3.16Å; L514-E516 VanDerWaalsContact C-N 3.32Å; L514-E516 PolarHBondContact O-N 2.77Å; E516-E518 VanDerWaalsContact C-N 3.33Å; E516-E518 PolarHBondContact O-N 2.66Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.41Å; E516-R519 VanDerWaalsContact O-N 3.12Å |
| 517 | K | 42 | Very low | 44.8 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.9 | -23.4 | -178.8 | -150.5 | 169.2 | -167.4 | 173.2 | 0 | 114.3 | Q513 L514 R519 | Q513-K517 WeakPolarHBondContact O-CB 3.35Å; Q513-K517 PolarHBondContact O-N 3.28Å; L514-K517 PolarHBondContact O-N 2.87Å; L514-K517 VanDerWaalsContact O-N 3.09Å; K517-R519 VanDerWaalsContact C-N 3.33Å |
| 518 | E | 39.7 | Very low | 44.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -18.3 | 171.2 | -71.4 | -167.2 | 143 | 0 | 0 | 113.4 | L514 E516 | L514-E518 PolarHBondContact O-N 3.04Å; E516-E518 VanDerWaalsContact C-N 3.33Å; E516-E518 PolarHBondContact O-N 2.66Å |
| 519 | R | 37.4 | Very low | 44.4 | Very low | 212 Ų | 212 | 129 Ų | 129 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -78 | -17 | 178.4 | -76 | -178.1 | 167.3 | 174.3 | -1.4 | 114.6 | E516 K517 | E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.41Å; E516-R519 VanDerWaalsContact O-N 3.12Å; K517-R519 VanDerWaalsContact C-N 3.33Å |
| 520 | E | 40.7 | Very low | 44.4 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -89.6 | -14.6 | 177.7 | -62.8 | -170.3 | 138.7 | 0 | 0 | 113.2 | N522 | E520-N522 PolarHBondContact O-N 2.92Š|
| 521 | K | 38.3 | Very low | 44.3 | Very low | 180 Ų | 180 | 130 Ų | 130 | 78% | 0.783 | 65% | 0.647 | S | S | * | * | trans | -80.2 | 61.3 | 175.4 | -77.6 | -172.1 | 171.5 | -177.9 | 0 | 112.8 | ||||
| 522 | N | 41.9 | Very low | 44.1 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | trans | -150.7 | 32.9 | 169.8 | -110.9 | -37.2 | 0 | 0 | 0 | 114.4 | E520 | E520-N522 PolarHBondContact O-N 2.92Š| ||
| 523 | Q | 38.9 | Very low | 44 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 89% | 0.893 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -128.7 | 143.9 | 162.3 | -66.8 | -171.1 | -7.2 | 0 | 0 | 109.4 | ||
| 524 | G | 38.7 | Very low | 44.1 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 64% | 0.637 | S | S | * | * | trans | -71.6 | 150 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D526 | G524-D526 PolarHBondContact O-N 3.34Š| ||
| 525 | F | 46.9 | Very low | 44 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 69% | 0.693 | 63% | 0.633 | S | S | * | * | trans | -79.1 | 112.8 | 177.8 | -169.7 | -92.4 | 0 | 0 | 0 | 110.3 | F527 F530 | F525-F527 HydrophobicContact CD1-CD2 4.35Å; F525-F527 HydrophobicContact CE1-CD2 4.02Å; F525-F530 HydrophobicContact CZ-CB 4.35Å; F525-F530 HydrophobicContact CZ-CD2 4.43Å; F525-F530 HydrophobicContact CZ-CG 4.29Å | ||
| 526 | D | 51.7 | Low | 43.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 56% | 0.556 | 64% | 0.641 | S | S | * | * | trans | -83 | 114.7 | 173.6 | -179.6 | 3.9 | 0 | 0 | 0 | 110.1 | G524 D528 | G524-D526 PolarHBondContact O-N 3.34Å; D526-D528 PolarHBondContact OD1-N 3.05Å; D526-D528 VanDerWaalsContact OD1-N 3.16Å | ||
| 527 | F | 39.8 | Very low | 43.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.8 | -30 | -173.5 | -157.5 | -96.8 | 0 | 0 | 0 | 112.8 | F525 F530 I531 | F525-F527 HydrophobicContact CD1-CD2 4.35Å; F525-F527 HydrophobicContact CE1-CD2 4.02Å; F527-F530 PolarHBondContact O-N 2.86Å; F527-I531 HydrophobicContact CD1-CG1 4.29Å; F527-I531 HydrophobicContact CE1-CD1 4.26Å; F527-I531 HydrophobicContact CE1-CG1 4.22Å; F527-I531 PolarHBondContact O-N 2.67Å |
| 528 | D | 45.5 | Very low | 43.4 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75 | -34.4 | -174.8 | -74.7 | -23.5 | 0 | 0 | 0 | 111.7 | D526 F530 I531 A532 | D526-D528 PolarHBondContact OD1-N 3.05Å; D526-D528 VanDerWaalsContact OD1-N 3.16Å; D528-F530 VanDerWaalsContact C-N 3.34Å; D528-F530 PolarHBondContact O-N 3.16Å; D528-I531 PolarHBondContact O-N 2.64Å; D528-A532 PolarHBondContact O-N 3.12Å; D528-A532 VanDerWaalsContact O-N 3.15Å |
| 529 | S | 51 | Low | 43.2 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.9 | -39.1 | 174.3 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | A532 E533 | S529-A532 PolarHBondContact O-N 3.39Å; S529-E533 PolarHBondContact O-N 3.05Å; S529-E533 VanDerWaalsContact O-N 3.08Å |
| 530 | F | 55.1 | Low | 42.9 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 179.1 | 178.6 | -105.1 | 0 | 0 | 0 | 112.9 | F525 F527 D528 T534 | F525-F530 HydrophobicContact CZ-CB 4.35Å; F525-F530 HydrophobicContact CZ-CD2 4.43Å; F525-F530 HydrophobicContact CZ-CG 4.29Å; F527-F530 PolarHBondContact O-N 2.86Å; D528-F530 VanDerWaalsContact C-N 3.34Å; D528-F530 PolarHBondContact O-N 3.16Å; F530-T534 WeakPolarHBondContact O-CB 3.37Å; F530-T534 PolarHBondContact O-N 2.9Å; F530-T534 VanDerWaalsContact O-N 3.15Å; F530-T534 PolarHBondContact O-OG1 2.73Å |
| 531 | I | 51.8 | Low | 42.4 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 39% | 0.385 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.3 | -40.3 | 175.4 | -61.5 | -60.2 | 0 | 0 | 0 | 111 | F527 D528 T534 I535 | F527-I531 HydrophobicContact CD1-CG1 4.29Å; F527-I531 HydrophobicContact CE1-CD1 4.26Å; F527-I531 HydrophobicContact CE1-CG1 4.22Å; F527-I531 PolarHBondContact O-N 2.67Å; D528-I531 PolarHBondContact O-N 2.64Å; I531-T534 PolarHBondContact O-N 3.03Å; I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 WeakPolarHBondContact O-CG1 3.37Å; I531-I535 PolarHBondContact O-N 3.44Å; I531-I535 VanDerWaalsContact O-N 3.17Å |
| 532 | A | 46.8 | Very low | 42 | Very low | 57 Ų | 57 | 122 Ų | 122 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.1 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D528 S529 I535 Q536 | D528-A532 PolarHBondContact O-N 3.12Å; D528-A532 VanDerWaalsContact O-N 3.15Å; S529-A532 PolarHBondContact O-N 3.39Å; A532-I535 PolarHBondContact O-N 3.01Å; A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 3.42Å; A532-Q536 VanDerWaalsContact O-N 3.09Å |
| 533 | E | 41.9 | Very low | 41.3 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | -179.4 | -166.5 | 165.7 | -133.3 | 0 | 0 | 112.3 | S529 I535 Q536 L537 | S529-E533 PolarHBondContact O-N 3.05Å; S529-E533 VanDerWaalsContact O-N 3.08Å; E533-I535 PolarHBondContact O-N 3.16Å; E533-Q536 PolarHBondContact O-N 3.36Å; E533-L537 PolarHBondContact O-N 3.06Å |
| 534 | T | 47.3 | Very low | 40.8 | Very low | 68 Ų | 68 | 116 Ų | 116 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | F530 I531 S538 | F530-T534 WeakPolarHBondContact O-CB 3.37Å; F530-T534 PolarHBondContact O-N 2.9Å; F530-T534 VanDerWaalsContact O-N 3.15Å; F530-T534 PolarHBondContact O-OG1 2.73Å; I531-T534 PolarHBondContact O-N 3.03Å; T534-S538 PolarHBondContact O-OG 3.29Å |
| 535 | I | 42.2 | Very low | 40.3 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 52% | 0.523 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.6 | -37.7 | 175.5 | -68 | 168.4 | 0 | 0 | 0 | 110.7 | I531 A532 E533 L537 S538 | I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 WeakPolarHBondContact O-CG1 3.37Å; I531-I535 PolarHBondContact O-N 3.44Å; I531-I535 VanDerWaalsContact O-N 3.17Å; A532-I535 PolarHBondContact O-N 3.01Å; E533-I535 PolarHBondContact O-N 3.16Å; I535-L537 PolarHBondContact O-N 3.17Å; I535-S538 PolarHBondContact O-N 3.4Å |
| 536 | Q | 40.1 | Very low | 39.4 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68 | -32.3 | -176.3 | -168.1 | 168.2 | 0.8 | 0 | 0 | 113.6 | A532 E533 S538 | A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 3.42Å; A532-Q536 VanDerWaalsContact O-N 3.09Å; E533-Q536 PolarHBondContact O-N 3.36Å; Q536-S538 VanDerWaalsContact C-N 3.29Å; Q536-S538 PolarHBondContact O-N 3.03Å |
| 537 | L | 40.3 | Very low | 38.2 | Very low | 145 Ų | 145 | 119.6 Ų | 119.6 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.7 | -18.1 | 174.4 | -71 | 170.7 | 0 | 0 | 0 | 113.7 | E533 I535 L539 | E533-L537 PolarHBondContact O-N 3.06Å; I535-L537 PolarHBondContact O-N 3.17Å; L537-L539 VanDerWaalsContact C-N 3.33Å; L537-L539 PolarHBondContact O-N 2.92Å |
| 538 | S | 35.3 | Very low | 37.6 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 4.6 | -173.1 | -59.9 | 0 | 0 | 0 | 0 | 114.7 | T534 I535 Q536 | T534-S538 PolarHBondContact O-OG 3.29Å; I535-S538 PolarHBondContact O-N 3.4Å; Q536-S538 VanDerWaalsContact C-N 3.29Å; Q536-S538 PolarHBondContact O-N 3.03Å |
| 539 | L | 36.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | 22.1 | -165 | -84.7 | 168.8 | 0 | 0 | 0 | 115.9 | L537 | L537-L539 VanDerWaalsContact C-N 3.33Å; L537-L539 PolarHBondContact O-N 2.92Å |
| 540 | Q | 30 | Very low | 35.7 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -116.3 | 89.6 | -180 | -64.5 | -164.7 | 3.5 | 0 | 0 | 114.9 | ||||
| 541 | H | 30.9 | Very low | 34.4 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 78% | 0.782 | 67% | 0.674 | S | S | * | * | trans | -81 | 160.6 | 141.1 | -99.2 | -127.4 | 0 | 0 | 0 | 107.7 | ||||
| 542 | E | 28.9 | Very low | 33.3 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | cis | -165.3 | 163.5 | 15.2 | -149.2 | 159.3 | -120.8 | 0 | 0 | 111.9 | ||||
| 543 | S | 27.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | 64.1 | 170.9 | 157.7 | 82 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 544 | T | 28.3 | Very low | 31.9 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | cis | -150.6 | 157.5 | 5.6 | 11.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 545 | D | 28.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -156.2 | -178.4 | -8.9 | -151.7 | -10 | 0 | 0 | 0 | 110.6 | ||||
| 546 | I | 28.7 | Very low | 30.2 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -44.4 | 131.9 | 169.2 | -63.7 | 150.7 | 0 | 0 | 0 | 115.2 | ||||
| 547 | D | 25.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | -171.4 | 103.4 | 123.3 | -140.1 | -6.2 | 0 | 0 | 0 | 115 | |||||
| 548 | K | 27.8 | Very low | 29 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 172.6 | 125 | 133.3 | -96 | 152.2 | -167.9 | 159.4 | 0 | 115.2 | ||||
| 549 | L | 25.6 | Very low | 28.7 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 42.4 | 108.4 | 150 | -88.9 | 64.6 | 0 | 0 | 0 | 119.3 | ||||
| 550 | N | 31.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | -45.5 | 137.9 | 128.1 | -61 | -71.9 | 0 | 0 | 0 | 110.2 | |||||
| 551 | D | 28.2 | Very low | 28.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | trans | -148.7 | 136.5 | 144.1 | -115.2 | -26.7 | 0 | 0 | 0 | 112.5 | ||||
| 552 | L | 28.6 | Very low | 28.2 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 33.7 | 98.1 | 170 | -79.8 | 69.5 | 0 | 0 | 0 | 120 | S554 | L552-S554 PolarHBondContact O-N 3.15Š| ||
| 553 | N | 31.5 | Very low | 28.1 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 95% | 0.947 | 76% | 0.757 | S | S | * | * | -48.9 | 114.4 | 128.1 | -101.4 | -50.5 | 0 | 0 | 0 | 110.2 | |||||
| 554 | S | 26.8 | Very low | 28.1 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -169.2 | 101.9 | 160 | -173 | 0 | 0 | 0 | 0 | 113.7 | L552 | L552-S554 PolarHBondContact O-N 3.15Š| ||
| 555 | S | 27.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 170 | 123.9 | 112.5 | -80.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 556 | V | 26.3 | Very low | 28 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | trans | 61.5 | 95.3 | 134.9 | -171.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 557 | S | 26.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -59.6 | 152.8 | 148.2 | 7.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 558 | Q | 29.1 | Very low | 28.2 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -163.9 | 152.4 | 142.9 | -120.3 | 160.7 | 84.8 | 0 | 0 | 115.1 | ||||
| 559 | L | 28.4 | Very low | 28.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 66 | 98.5 | 164.3 | -61.2 | 168.7 | 0 | 0 | 0 | 116.5 | ||||
| 560 | E | 30.4 | Very low | 28.5 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | 46.6 | 137.9 | 58.6 | -61.1 | -164 | 159.3 | 0 | 0 | 113.8 | |||||
| 561 | L | 29.2 | Very low | 28.3 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | cis | -165.1 | 170.9 | 18.3 | -134.4 | 168.1 | 0 | 0 | 0 | 111.3 | ||||
| 562 | K | 27.4 | Very low | 28.2 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 92.5 | 128.8 | 167 | -54.8 | 170.6 | -174.7 | 172.6 | 0 | 116.2 | ||||
| 563 | G | 26.6 | Very low | 28.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | 163.4 | 161.3 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 564 | L | 27.2 | Very low | 28.2 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 73.8 | 112.8 | 176.4 | -49.9 | 179 | 0 | 0 | 0 | 114.2 | ||||
| 565 | I | 28.7 | Very low | 28.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 72.9 | 121.2 | 66.4 | -65.9 | 174.1 | 0 | 0 | 0 | 110.1 | |||||
| 566 | S | 27.5 | Very low | 28.7 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | cis | -154.7 | 148.3 | 40.5 | -139.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 567 | K | 29.7 | Very low | 28.6 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | 35.2 | 147.6 | 126.3 | -59.2 | 177.2 | -168.3 | 176 | 0 | 120.3 | |||||
| 568 | S | 28.6 | Very low | 28.8 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -168.7 | 127.4 | 3.3 | 31.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 569 | V | 28.2 | Very low | 28.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | 92.9 | 122.9 | 66.3 | 163.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 570 | S | 30.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 71.7 | 147 | 154.8 | 71.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 571 | R | 26.6 | Very low | 28.5 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | cis | 164.3 | 137.1 | -10.6 | 176.6 | 171.1 | 178.3 | 140.6 | 21.6 | 106.7 | ||||
| 572 | E | 27 | Very low | 28.3 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | 39.8 | 124 | 156.3 | -60.9 | 156.4 | -177.7 | 0 | 0 | 121.4 | ||||
| 573 | K | 29.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | -174.3 | 130.4 | 105.9 | -104.5 | -173.1 | 176 | -170.6 | 0 | 117.9 | |||||
| 574 | Q | 29.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | trans | 43.6 | 116.1 | 136.3 | -66 | -178.6 | -90.6 | 0 | 0 | 123.9 | ||||
| 575 | E | 31.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | 48.8 | 121.1 | 118.5 | -52.1 | 172.2 | 102.6 | 0 | 0 | 122.4 | |||||
| 576 | K | 32.7 | Very low | 28 | Very low | 205 Ų | 205 | 140.5 Ų | 140.5 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | 174.1 | 152.3 | 104.5 | -93 | 165.1 | -173.8 | 176.3 | 0 | 111.5 | |||||
| 577 | G | 25.7 | Very low | 27.8 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -161.7 | -28.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 578 | M | 30.6 | Very low | 27.6 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 63.3 | 101.2 | 172.1 | -68.6 | -66.5 | -70.1 | 0 | 0 | 119.9 | ||||
| 579 | A | 28.3 | Very low | 27.4 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | 50.1 | 133.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 580 | N | 26.4 | Very low | 27.2 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | -142.3 | 164 | 124.9 | -114.1 | -27.4 | 0 | 0 | 0 | 109.7 | |||||
| 581 | L | 26.7 | Very low | 26.9 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -136.9 | 136.4 | -153.2 | -133.7 | 170.4 | 0 | 0 | 0 | 114.1 | ||||
| 582 | A | 25.3 | Very low | 26.8 | Very low | 83 Ų | 83 | 151 Ų | 151 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | 56.9 | 130.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 583 | Q | 26.7 | Very low | 26.6 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -164.1 | 150.4 | 111.6 | -106.5 | 171.7 | 8.2 | 0 | 0 | 112.1 | |||||
| 584 | L | 26.6 | Very low | 26.4 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 60.5 | 102.1 | 175.1 | -59 | 166.6 | 0 | 0 | 0 | 114.5 | ||||
| 585 | E | 23.9 | Very low | 26.2 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | 53.4 | 104.5 | 65.5 | -56.4 | -172.5 | 135.5 | 0 | 0 | 111.8 | |||||
| 586 | A | 25.3 | Very low | 25.8 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 75.7 | 105.3 | 56.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 587 | L | 24.5 | Very low | 25.4 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -177 | 123.9 | 150.2 | -104.2 | 165.4 | 0 | 0 | 0 | 108.8 | ||||
| 588 | Y | 24.7 | Very low | 25.3 | Very low | 220 Ų | 220 | 149.9 Ų | 149.9 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | trans | 158.8 | 95.4 | 138.5 | -93.1 | -66.7 | 0 | 0 | 0 | 111.6 | ||||
| 589 | Q | 23.8 | Very low | 25 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -149.6 | 155.1 | 160.6 | -160.4 | 82.2 | 43.7 | 0 | 0 | 106.5 | ||||
| 590 | T | 25.6 | Very low | 24.7 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | 69 | 141.8 | -173.1 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 591 | S | 24.2 | Very low | 24.7 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | cis | -154.3 | 174.7 | -8.2 | -154.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 592 | W | 24.9 | Very low | 24.7 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | 157 | 130.8 | 120.9 | -90.7 | 89.2 | 0 | 0 | 0 | 111.2 | |||||
| 593 | D | 22.9 | Very low | 24.6 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 158.7 | -175.3 | -98.7 | -54.4 | 0 | 0 | 0 | 113.2 | ||||
| 594 | S | 24.5 | Very low | 24.5 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 67 | 136 | 158 | 74.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 595 | Q | 25.4 | Very low | 24.3 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -170.4 | 157.6 | 60.9 | -83.2 | -169.6 | -3.8 | 0 | 0 | 112.9 | |||||
| 596 | F | 22.7 | Very low | 24.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | 13.6 | 135.6 | 153.2 | -63.3 | -91.3 | 0 | 0 | 0 | 121.7 | ||||
| 597 | V | 25.1 | Very low | 24.4 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | -177.2 | 154.2 | 99.7 | 150.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 598 | S | 23.5 | Very low | 24.4 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -74.1 | 153.3 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 599 | G | 24.3 | Very low | 24.3 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -175.3 | 135 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 600 | G | 22.7 | Very low | 24.4 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -117.6 | -143.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 601 | E | 26.2 | Very low | 24.3 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | 77.5 | 93.5 | 177.4 | -56.1 | -174.9 | 169.5 | 0 | 0 | 115.7 | ||||
| 602 | E | 25.1 | Very low | 24.2 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | 31.4 | 160.1 | 114 | -96.2 | -171.9 | -172.9 | 0 | 0 | 123 | |||||
| 603 | C | 24.5 | Very low | 24.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | 79.9 | 97.7 | 153.6 | -74.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 604 | F | 23.6 | Very low | 24.3 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 68.8 | 138.6 | 111.6 | -88.1 | -68.9 | 0 | 0 | 0 | 123.1 | |||||
| 605 | L | 23.8 | Very low | 24.3 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 86.6 | 134.4 | 144.6 | -70.7 | 165.5 | 0 | 0 | 0 | 122.1 | ||||
| 606 | I | 24.2 | Very low | 24.3 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 100.8 | 142.4 | -66.6 | 166.6 | 0 | 0 | 0 | 116 | ||||
| 607 | D | 25.8 | Very low | 24.5 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | 74.2 | 146.9 | 74.6 | -168.4 | 30.4 | 0 | 0 | 0 | 114.9 | |||||
| 608 | Q | 25.3 | Very low | 24.5 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | trans | 64 | 105.5 | 155.7 | -101.7 | 170.9 | 69.2 | 0 | 0 | 120.7 | ||||
| 609 | F | 23.3 | Very low | 24.6 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.772 | 76% | 0.762 | S | S | * | * | 172.1 | 121.4 | 99.7 | -100.4 | -88.5 | 0 | 0 | 0 | 108.3 | |||||
| 610 | C | 24.1 | Very low | 24.8 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 69% | 0.689 | 75% | 0.753 | S | S | * | * | 72 | 127.1 | 65.8 | -93.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 611 | C | 23.8 | Very low | 25 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 157.2 | 163.7 | -60.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 612 | E | 23.5 | Very low | 25.1 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | cis | -151.2 | 129.6 | 13.9 | -150 | 166.3 | -134 | 0 | 0 | 115.4 | ||||
| 613 | V | 25.3 | Very low | 25.2 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | 29.3 | 127.4 | 139.4 | -173.3 | 0 | 0 | 0 | 0 | 122.4 | K615 | V613-K615 HydrophobicContact CG1-CG 3.89Š| ||
| 614 | R | 23.2 | Very low | 25.6 | Very low | 242 Ų | 242 | 152.2 Ų | 152.2 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | -158.5 | 129.4 | 128.1 | -99.4 | 160.7 | -163.4 | -174.9 | 5.3 | 107.9 | |||||
| 615 | K | 24.2 | Very low | 25.9 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | cis | 67.2 | 123.7 | 49.2 | -71.6 | -151.3 | 158.6 | -131.9 | 0 | 114 | V613 | V613-K615 HydrophobicContact CG1-CG 3.89Š| ||
| 616 | D | 27.3 | Very low | 26.5 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | cis | -129 | -164.4 | -13.1 | -68.6 | -60 | 0 | 0 | 0 | 106.4 | ||||
| 617 | E | 25.5 | Very low | 27.2 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | cis | -160.7 | -175.4 | 19.8 | -160.9 | 169.9 | -115.6 | 0 | 0 | 109.1 | ||||
| 618 | Q | 25.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 152 Ų | 152 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | -98.7 | 151.5 | -170.1 | -67.8 | 156.2 | -87.7 | 0 | 0 | 116.3 | E620 | Q618-E620 PolarHBondContact NE2-OE1 3.19Š| ||
| 619 | V | 25.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 152 Ų | 152 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -140.4 | 122.3 | 136.7 | 179.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 620 | E | 27.7 | Very low | 29.4 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 65% | 0.654 | 74% | 0.74 | S | S | * | * | trans | -87.7 | 146.4 | -177.5 | -67.9 | 158.1 | 169 | 0 | 0 | 112.9 | Q618 | Q618-E620 PolarHBondContact NE2-OE1 3.19Š| ||
| 621 | K | 27.5 | Very low | 30 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | trans | -145.9 | 100.2 | 149.1 | -80.6 | -158.4 | 173.4 | -175.9 | 0 | 109.9 | ||||
| 622 | E | 28.1 | Very low | 30.6 | Very low | 168 Ų | 168 | 154 Ų | 154 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -64.4 | 143.9 | 168.9 | -58 | 176.1 | 117.6 | 0 | 0 | 110.7 | ||||
| 623 | N | 27.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -125.1 | 98.2 | 163 | -90.4 | -18.8 | 0 | 0 | 0 | 107.5 | Y625 | N623-Y625 PolarHBondContact O-N 3.47Å; N623-Y625 VanDerWaalsContact O-N 3.14Å | ||
| 624 | T | 32.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | -76.1 | 93 | -177.1 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 625 | Y | 31.5 | Very low | 32.4 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -150 | 46.7 | 170.1 | -97 | -69.1 | 0 | 0 | 0 | 114.3 | N623 | N623-Y625 PolarHBondContact O-N 3.47Å; N623-Y625 VanDerWaalsContact O-N 3.14Å | ||
| 626 | T | 35.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | trans | -130.6 | 12.2 | 172 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | Y628 | T626-Y628 PolarHBondContact O-N 2.6Š| ||
| 627 | S | 38.9 | Very low | 33 | Very low | 55 Ų | 55 | 153.9 Ų | 153.9 | 39% | 0.385 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -4.6 | -160 | -178 | 0 | 0 | 0 | 0 | 117.4 | K631 | S627-K631 VanDerWaalsContact O-CD 3.25Å; S627-K631 WeakPolarHBondContact O-CD 3.31Å; S627-K631 WeakPolarHBondContact O-CG 3.44Å; S627-K631 WeakPolarHBondContact OG-CE 3.43Å; S627-K631 PolarHBondContact OG-NZ 2.73Å |
| 628 | Y | 35.4 | Very low | 33.2 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -50.9 | -170.7 | -88.1 | -81.9 | 0 | 0 | 0 | 114.8 | T626 K631 | T626-Y628 PolarHBondContact O-N 2.6Å; Y628-K631 PolarHBondContact O-N 3.26Å |
| 629 | L | 44.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -67.5 | -51.3 | -178.7 | -61.6 | 175.2 | 0 | 0 | 0 | 111.7 | K631 F632 F633 | L629-K631 PolarHBondContact O-N 2.92Å; L629-F632 PolarHBondContact O-N 2.98Å; L629-F633 VanDerWaalsContact O-CD2 3.32Å; L629-F633 WeakPolarHBondContact O-CD2 3.49Å; L629-F633 PolarHBondContact O-N 3.46Å |
| 630 | D | 40.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 57% | 0.572 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -54.9 | -28.3 | 178.3 | -65.3 | -14 | 0 | 0 | 0 | 113.5 | ||
| 631 | K | 38.2 | Very low | 33.5 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -79.6 | -18.8 | -179.8 | -79.4 | -171.2 | -176.9 | 158.8 | 0 | 114.4 | S627 Y628 L629 | S627-K631 VanDerWaalsContact O-CD 3.25Å; S627-K631 WeakPolarHBondContact O-CD 3.31Å; S627-K631 WeakPolarHBondContact O-CG 3.44Å; S627-K631 WeakPolarHBondContact OG-CE 3.43Å; S627-K631 PolarHBondContact OG-NZ 2.73Å; Y628-K631 PolarHBondContact O-N 3.26Å; L629-K631 PolarHBondContact O-N 2.92Å |
| 632 | F | 35 | Very low | 33.5 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -90.2 | -38.5 | 176.2 | -102 | -91.5 | 0 | 0 | 0 | 112.4 | L629 S634 | L629-F632 PolarHBondContact O-N 2.98Å; F632-S634 PolarHBondContact O-N 2.93Å |
| 633 | F | 44.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 54% | 0.544 | 76% | 0.763 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | 3.2 | -173.9 | -64.4 | -68.7 | 0 | 0 | 0 | 115.8 | L125 L629 | L125-F633 HydrophobicContact CD1-CD1 4Å; L125-F633 HydrophobicContact CD1-CE1 3.71Å; L125-F633 HydrophobicContact CG-CE1 4.27Å; L629-F633 VanDerWaalsContact O-CD2 3.32Å; L629-F633 WeakPolarHBondContact O-CD2 3.49Å; L629-F633 PolarHBondContact O-N 3.46Å |
| 634 | S | 36 | Very low | 34.3 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 31.7 | -171.2 | -73.3 | 0 | 0 | 0 | 0 | 115.6 | F632 | F632-S634 PolarHBondContact O-N 2.93Š|
| 635 | K | 29.1 | Very low | 33.9 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -146.7 | 79.3 | 175.4 | -77 | -158 | 170.1 | -162.7 | 0 | 115.9 | ||||
| 636 | K | 30.9 | Very low | 34.3 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -160.6 | 41.4 | 148.2 | -131 | -176.6 | -176 | -175 | 0 | 118.5 | ||||
| 637 | E | 33.7 | Very low | 33.9 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -125.3 | 110.9 | 159.1 | -71.4 | -162.3 | 150 | 0 | 0 | 110.6 | ||||
| 638 | D | 29.2 | Very low | 33.5 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | -155 | 85.9 | 165.9 | -96.1 | -45.1 | 0 | 0 | 0 | 106.5 | ||||
| 639 | A | 29.9 | Very low | 33.3 | Very low | 97 Ų | 97 | 154.7 Ų | 154.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -98 | 108.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | M641 | A639-M641 PolarHBondContact O-N 3.25Š| ||
| 640 | E | 29.1 | Very low | 32.5 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -66.3 | 116.8 | 179.1 | -73.4 | -168.7 | 124.9 | 0 | 0 | 111.2 | ||||
| 641 | M | 26 | Very low | 31.9 | Very low | 171 Ų | 171 | 157 Ų | 157 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -75 | 132.7 | 168 | -70.6 | -173.9 | 173.9 | 0 | 0 | 110.8 | A639 | A639-M641 PolarHBondContact O-N 3.25Š| ||
| 642 | L | 28.8 | Very low | 32.1 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -127.7 | 111.1 | 160.4 | -80 | 171.2 | 0 | 0 | 0 | 109.2 | ||||
| 643 | E | 28.2 | Very low | 31.7 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -79.2 | 162.8 | 177.3 | -85.7 | -76.2 | 112.6 | 0 | 0 | 112.1 | ||||
| 644 | P | 43 | Very low | 31 | Very low | 100 Ų | 100 | 154 Ų | 154 | 65% | 0.649 | 83% | 0.829 | S | S | * | * | trans | -103.8 | -173.1 | -148.8 | 41.3 | -40.2 | 0 | 0 | 0 | 115.5 | ||||
| 645 | E | 25.4 | Very low | 30.7 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | trans | 163.6 | 160.4 | 143.6 | -86 | -80.8 | 106.1 | 0 | 0 | 108.6 | ||||
| 646 | P | 39.2 | Very low | 30.7 | Very low | 91 Ų | 91 | 155.3 Ų | 155.3 | 59% | 0.591 | 83% | 0.825 | S | S | * | * | -134.5 | -170.5 | -69.4 | 37.1 | -17.1 | 0 | 0 | 0 | 113.9 | |||||
| 647 | V | 27.7 | Very low | 30.5 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | 63 | 151.3 | 169.7 | -105.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 648 | E | 29.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | cis | -139.5 | 176.7 | 17.2 | -118.8 | -179.4 | -176.3 | 0 | 0 | 113.4 | ||||
| 649 | E | 30.6 | Very low | 30.3 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -85.3 | 149.4 | -176 | -57.8 | -176 | 118 | 0 | 0 | 115 | ||||
| 650 | G | 27.3 | Very low | 30.1 | Very low | 80 Ų | 80 | 150 Ų | 150 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -178.3 | 115.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 651 | K | 28.4 | Very low | 30 | Very low | 206 Ų | 206 | 149.3 Ų | 149.3 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -120 | 173.1 | 165.1 | -65.2 | -173.6 | 179.2 | -177.4 | 0 | 109.3 | ||||
| 652 | P | 42 | Very low | 30.1 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | -122.9 | -178.2 | -58.6 | 37.8 | -23.9 | 0 | 0 | 0 | 110.4 | |||||
| 653 | G | 27.9 | Very low | 30.1 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -152.1 | 123.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 654 | E | 28.5 | Very low | 30 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -86 | 146.2 | 175.9 | -53.4 | 165.3 | 131.1 | 0 | 0 | 111.4 | ||||
| 655 | K | 30.3 | Very low | 29.4 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 176.2 | 143.5 | 117.6 | -98 | 161.7 | -176.8 | 173.4 | 0 | 115.3 | |||||
| 656 | E | 28.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | 16.5 | 137.9 | 121.2 | -76 | 175.7 | -111.3 | 0 | 0 | 117.5 | |||||
| 657 | R | 28 | Very low | 28.9 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | cis | -172.4 | 155.3 | 38.4 | -130.2 | 167 | -155.8 | -91.7 | -15.1 | 114.9 | ||||
| 658 | E | 29.3 | Very low | 28.8 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 61% | 0.607 | 79% | 0.788 | S | S | * | * | trans | 53.6 | 136.1 | 138.7 | -80.4 | 157.3 | -175.4 | 0 | 0 | 124.9 | ||||
| 659 | E | 28 | Very low | 28.6 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 76.1 | 96 | 141.6 | -67.6 | -179 | -179.9 | 0 | 0 | 123.3 | ||||
| 660 | S | 26.3 | Very low | 28.4 | Very low | 84 Ų | 84 | 144 Ų | 144 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | 13.2 | 137.3 | 123.9 | 56.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 661 | F | 26.8 | Very low | 28.4 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | -177.8 | 141 | 100.9 | -101.2 | -70.6 | 0 | 0 | 0 | 114.3 | |||||
| 662 | L | 28.4 | Very low | 28.4 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 30.3 | 116 | 153.6 | -73.7 | 165.4 | 0 | 0 | 0 | 122.3 | ||||
| 663 | S | 28 | Very low | 27.6 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 24.8 | 127.3 | 130.6 | 63.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 664 | N | 27.5 | Very low | 27.6 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | -157.1 | 161.3 | 123.7 | -117.3 | -27.9 | 0 | 0 | 0 | 113.4 | |||||
| 665 | S | 29.1 | Very low | 27.6 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -78.8 | 157.1 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 666 | G | 26.1 | Very low | 27.4 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 176 | 110.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 667 | E | 27.9 | Very low | 27.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 143.2 | 169.2 | -58.5 | 169.3 | 107.1 | 0 | 0 | 110.7 | ||||
| 668 | L | 26.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -141.7 | 116.5 | 165.7 | -102.5 | 172.2 | 0 | 0 | 0 | 111.6 | ||||
| 669 | L | 25.6 | Very low | 27.2 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 149.7 | 162.8 | -74.5 | 78.7 | 0 | 0 | 0 | 109.6 | ||||
| 670 | F | 25.6 | Very low | 27.5 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -124.3 | 141.5 | 155.8 | -110.4 | -88 | 0 | 0 | 0 | 112.1 | ||||
| 671 | N | 26.9 | Very low | 27.5 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | -110.5 | 145 | 179.4 | -111.1 | -64.1 | 0 | 0 | 0 | 110.9 | ||||
| 672 | K | 28.1 | Very low | 27.5 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -7.7 | 137.9 | 161.2 | -60.2 | 170.2 | 177 | 175.7 | 0 | 118.3 | ||||
| 673 | Q | 26.3 | Very low | 27.5 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | -164.9 | 126.4 | 107.1 | -98.1 | 177.1 | -95.7 | 0 | 0 | 108.5 | |||||
| 674 | L | 28.2 | Very low | 27.6 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 63.7 | 139.1 | 97.6 | -71.9 | 175.9 | 0 | 0 | 0 | 113.9 | |||||
| 675 | E | 27.5 | Very low | 28.4 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | cis | -161.5 | 151.8 | 37.6 | -158.9 | 166.1 | -113.4 | 0 | 0 | 114.5 | ||||
| 676 | A | 27.5 | Very low | 28.6 | Very low | 88 Ų | 88 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 53.6 | 152.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 677 | I | 27.7 | Very low | 28.6 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | cis | -138.9 | 155.7 | 12.8 | -59.4 | 165.6 | 0 | 0 | 0 | 106.3 | ||||
| 678 | G | 25.7 | Very low | 28.6 | Very low | 63 Ų | 63 | 142.2 Ų | 142.2 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | cis | 168.1 | 170.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 679 | I | 28.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -143.1 | 139.4 | -167.6 | -58.7 | 173.5 | 0 | 0 | 0 | 112.5 | ||||
| 680 | P | 32.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -89.2 | 127.1 | 157.1 | 1.5 | 18.5 | 0 | 0 | 0 | 111.5 | ||||
| 681 | Q | 26.9 | Very low | 29.6 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -87.8 | 161.5 | 178.1 | -60.3 | 175.4 | -8 | 0 | 0 | 112.2 | ||||
| 682 | F | 26.9 | Very low | 29.7 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -141.5 | 157.2 | 141 | -101.8 | -73.8 | 0 | 0 | 0 | 111.9 | ||||
| 683 | H | 27.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | -95.8 | 154.6 | -158.2 | -70.4 | -93.6 | 0 | 0 | 0 | 115.5 | ||||
| 684 | S | 30.4 | Very low | 29.9 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 168.3 | 152.6 | 70.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 685 | P | 45.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -134.6 | 120.3 | 154.3 | 33.1 | -17.4 | 0 | 0 | 0 | 114.9 | ||||
| 686 | V | 32 | Very low | 29.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | trans | 61.5 | 123.1 | 134.5 | -174.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 687 | G | 27.2 | Very low | 29.9 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 170.1 | 69.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 688 | S | 27.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -110.1 | 170.3 | 169.2 | 66 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 689 | P | 43.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | cis | -143 | 171.8 | 15.4 | 44.3 | -25.9 | 0 | 0 | 0 | 118.5 | ||||
| 690 | L | 27.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 24.4 | 123.4 | 142.1 | -60.8 | 166.8 | 0 | 0 | 0 | 120.5 | ||||
| 691 | K | 28.3 | Very low | 30.8 | Very low | 210 Ų | 210 | 134.7 Ų | 134.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | -173.5 | 157.4 | 109.1 | -104.2 | 167 | -176.6 | 177.2 | 0 | 115.2 | |||||
| 692 | S | 28.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -89.3 | 164.6 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 693 | I | 28.8 | Very low | 30.9 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -172 | 154.8 | 135.6 | -100.4 | 155.4 | 0 | 0 | 0 | 110.6 | ||||
| 694 | Q | 28.8 | Very low | 31 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -99.7 | 155 | -177.4 | -62.6 | 164.8 | -82.8 | 0 | 0 | 113.2 | ||||
| 695 | A | 29.4 | Very low | 30.9 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 61.3 | 146.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 696 | T | 27.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 167.9 | 118.2 | 112.8 | -68 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 697 | L | 26.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 41.2 | 113.7 | 149.1 | -58 | 171.5 | 0 | 0 | 0 | 123.1 | ||||
| 698 | T | 28.6 | Very low | 30.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | 29.8 | 168.5 | 113.3 | 58.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 699 | P | 46.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | cis | -139.4 | 178.2 | -42.4 | 39.5 | -22.8 | 0 | 0 | 0 | 114.9 | ||||
| 700 | S | 26.4 | Very low | 30.8 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -154 | 125.3 | 156.9 | -171.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 701 | A | 31.1 | Very low | 30.9 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | cis | 72.4 | 134.1 | 48.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 702 | M | 28.3 | Very low | 31 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 84% | 0.837 | 79% | 0.786 | S | S | * | * | cis | -171.2 | 146.7 | -13.5 | -168.6 | 179.9 | -162.6 | 0 | 0 | 110 | ||||
| 703 | K | 29 | Very low | 31.1 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | 167.4 | 128.6 | 152.7 | -95.6 | 153.8 | -174.1 | 177.5 | 0 | 109.7 | ||||
| 704 | S | 28.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | 121.6 | 94.2 | 2.9 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 705 | S | 28.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 67.7 | 166.6 | 134.6 | -93.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 706 | P | 43.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -129.7 | 164.5 | 17.4 | 41.9 | -26.3 | 0 | 0 | 0 | 118.5 | ||||
| 707 | Q | 30.9 | Very low | 31.2 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 162 | 157 | -65 | 177.7 | -18.4 | 0 | 0 | 111.2 | ||||
| 708 | I | 30.3 | Very low | 31.5 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -162.8 | 152.5 | 146.6 | -107.8 | 153.6 | 0 | 0 | 0 | 109.9 | ||||
| 709 | P | 40.3 | Very low | 31.8 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | -130.7 | -166.9 | -145 | 38.3 | -19.4 | 0 | 0 | 0 | 117.1 | ||||
| 710 | H | 29.1 | Very low | 31.1 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 78.4 | 132 | 174.8 | -53.4 | -75.5 | 0 | 0 | 0 | 116.5 | ||||
| 711 | K | 29.4 | Very low | 31.6 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | -170.6 | 167 | 64.1 | -127.3 | 147.7 | -171.6 | 176.2 | 0 | 114.7 | |||||
| 712 | T | 31.1 | Very low | 31.6 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -81.1 | 139.8 | 178 | -36.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 713 | Y | 29.7 | Very low | 31.7 | Very low | 227 Ų | 227 | 154.6 Ų | 154.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -168.5 | 115.5 | 147 | -97.9 | -79.2 | 0 | 0 | 0 | 105.5 | ||||
| 714 | S | 29.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 152.1 Ų | 152.1 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | 69 | 97.4 | 59.6 | -165.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 715 | S | 28.3 | Very low | 32.1 | Very low | 100 Ų | 100 | 155.7 Ų | 155.7 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | 71.5 | 153.2 | 134.3 | -43.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 716 | I | 29.6 | Very low | 32.3 | Very low | 159 Ų | 159 | 158 Ų | 158 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | 81.7 | 101 | 164.3 | -50.2 | 165.4 | 0 | 0 | 0 | 116.6 | ||||
| 717 | L | 30 | Very low | 31.6 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | -154.7 | 140.4 | 109.8 | -113.7 | 165.2 | 0 | 0 | 0 | 110.9 | |||||
| 718 | K | 34 | Very low | 31.6 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -124.4 | 146.2 | 174.3 | -91 | -167.3 | 173.5 | -168.6 | 0 | 109.3 | ||||
| 719 | H | 34.5 | Very low | 31.7 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 68.1 | 159.9 | 158.5 | -64.5 | -49.3 | 0 | 0 | 0 | 119.8 | ||||
| 720 | L | 31.9 | Very low | 31 | Very low | 158 Ų | 158 | 163.8 Ų | 163.8 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | 76.9 | 116.9 | 173.7 | -51.9 | -179.9 | 0 | 0 | 0 | 114.2 | ||||
| 721 | N | 35.4 | Very low | 31.2 | Very low | 228 Ų | 228 | 163.1 Ų | 163.1 | 100% | 1.219 | 83% | 0.828 | S | S | * | * | cis | -123.9 | 0 | 0.1 | -72.8 | -41.1 | 0 | 0 | 0 | 111.1 |
Retrieved 721 of 721 residues in 140.1 ms
(Link to these results)