| 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 | 37.6 | Very low | 66.6 | Low | 243 Ų | 243 | 107.3 Ų | 107.3 | 100% | 1.197 | 68% | 0.68 | S | S | * | * | 0 | 97.3 | 0 | -70.9 | -81.7 | -158.9 | 0 | 0 | 107.1 | A3 | M1-A3 PolarHBondContact O-N 3.11Š| |||
| 2 | A | 39.4 | Very low | 69.1 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 88% | 0.884 | 66% | 0.658 | S | S | * | * | trans | -70.8 | 118.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | S4 | A2-S4 PolarHBondContact O-N 3.3Š| ||
| 3 | A | 44.7 | Very low | 71.2 | Confident | 95 Ų | 95 | 107.1 Ų | 107.1 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | trans | -60.5 | 122.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | M1 S5 | M1-A3 PolarHBondContact O-N 3.11Å; A3-S5 PolarHBondContact O-N 3.14Å | ||
| 4 | S | 44.5 | Very low | 73 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 83% | 0.825 | 62% | 0.62 | S | S | * | * | trans | -60.2 | 103.7 | 166.1 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | A2 G6 | A2-S4 PolarHBondContact O-N 3.3Å; S4-G6 PolarHBondContact O-N 2.87Å | ||
| 5 | S | 51.8 | Low | 74.7 | Confident | 114 Ų | 114 | 96.2 Ų | 96.2 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | trans | -72.7 | 76.3 | 169.6 | 56.9 | 0 | 0 | 0 | 0 | 107.3 | A3 V7 | A3-S5 PolarHBondContact O-N 3.14Å; S5-V7 PolarHBondContact O-N 3.37Å | ||
| 6 | G | 68.7 | Low | 76.1 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 58% | 0.577 | 57% | 0.571 | S | S | * | * | trans | -55.3 | 123.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S4 K8 | S4-G6 PolarHBondContact O-N 2.87Å; G6-K8 PolarHBondContact O-N 2.67Å | ||
| 7 | V | 78.8 | Confident | 77.3 | Confident | 142 Ų | 142 | 95.1 Ų | 95.1 | 86% | 0.861 | 56% | 0.561 | S | S | * | * | trans | -56.9 | 115.8 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | S5 V9 | S5-V7 PolarHBondContact O-N 3.37Å; V7-V9 PolarHBondContact O-N 3.36Å | ||
| 8 | K | 84.4 | Confident | 78.4 | Confident | 143 Ų | 143 | 90.1 Ų | 90.1 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | trans | -84.7 | 114 | 179.5 | 177.4 | 167.9 | 165.4 | 161.9 | 0 | 109.3 | G6 P10 E75 | G6-K8 PolarHBondContact O-N 2.67Å; K8-P10 WeakPolarHBondContact O-CD 3.45Å; K8-E75 WeakPolarHBondContact CE-OE1 3.36Å; K8-E75 VanDerWaalsContact NZ-CD 3.26Å; K8-E75 IonicContact NZ-OE1 3.5Å; K8-E75 PolarHBondContact NZ-OE1 3.32Å | ||
| 9 | V | 90.3 | Very high | 79.4 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 31% | 0.309 | 51% | 0.51 | S | S | . | . | trans | -67.1 | 126.8 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 109 | V7 F13 R14 | V7-V9 PolarHBondContact O-N 3.36Å; V9-F13 HydrophobicContact CG1-CB 3.73Å; V9-R14 HydrophobicContact CG1-CB 4.31Å | ||
| 10 | P | 95.1 | Very high | 80.2 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | trans | -64.2 | 150.4 | 175.8 | -20.7 | 32.2 | 0 | 0 | 0 | 112 | K8 N12 F13 R14 | K8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-N12 VanDerWaalsContact C-N 3.3Å; P10-N12 PolarHBondContact O-N 3.48Å; P10-N12 VanDerWaalsContact O-N 3.16Å; P10-F13 HydrophobicContact CB-CD2 4.06Å; P10-F13 HydrophobicContact CG-CD2 3.91Å; P10-F13 PolarHBondContact O-N 3.09Å; P10-F13 VanDerWaalsContact O-N 3.07Å; P10-R14 PolarHBondContact O-N 3.38Å; P10-R14 VanDerWaalsContact O-N 3.09Å | ||
| 11 | R | 96.9 | Very high | 80.9 | Confident | 37 Ų | 37 | 86.7 Ų | 86.7 | 14% | 0.14 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -44.2 | -51.5 | -179.2 | 173.8 | 177.1 | 171.4 | -74.2 | 1.5 | 113.5 | F13 R14 L15 T42 T44 C69 G70 P71 Y73 | R11-F13 PolarHBondContact O-N 2.86Å; R11-R14 PolarHBondContact O-N 3.36Å; R11-L15 HydrophobicContact CG-CD1 3.59Å; R11-L15 HydrophobicContact CG-CG 4.41Å; R11-L15 WeakPolarHBondContact O-CG 3.39Å; R11-L15 PolarHBondContact O-N 3.27Å; R11-T42 PolarHBondContact NH1-O 3.28Å; R11-T42 PolarHBondContact NH2-O 2.87Å; R11-T44 PolarHBondContact NH2-OG1 3.4Å; R11-T44 VanDerWaalsContact NH2-OG1 3.09Å; R11-C69 PolarHBondContact NH2-O 3.06Å; R11-G70 PolarHBondContact NE-O 2.63Å; R11-P71 WeakPolarHBondContact CD-O 3.23Å; R11-Y73 WeakPolarHBondContact CB-O 3.32Å; R11-Y73 WeakPolarHBondContact CD-O 3.45Å; R11-Y73 WeakPolarHBondContact CG-O 3.45Å |
| 12 | N | 96.3 | Very high | 83.5 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | -174 | -66.6 | 3.4 | 0 | 0 | 0 | 112.1 | P10 L15 L16 | P10-N12 VanDerWaalsContact C-N 3.3Å; P10-N12 PolarHBondContact O-N 3.48Å; P10-N12 VanDerWaalsContact O-N 3.16Å; N12-L15 PolarHBondContact O-N 3Å; N12-L16 WeakPolarHBondContact O-CB 3.34Å; N12-L16 VanDerWaalsContact O-CG 3.28Å; N12-L16 WeakPolarHBondContact O-CG 3.26Å; N12-L16 PolarHBondContact O-N 3.49Å |
| 13 | F | 96.8 | Very high | 85.9 | Confident | 133 Ų | 133 | 77.9 Ų | 77.9 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | 174.4 | -77.1 | -76.9 | 0 | 0 | 0 | 111.2 | V9 P10 R11 L15 L16 E17 | V9-F13 HydrophobicContact CG1-CB 3.73Å; P10-F13 HydrophobicContact CB-CD2 4.06Å; P10-F13 HydrophobicContact CG-CD2 3.91Å; P10-F13 PolarHBondContact O-N 3.09Å; P10-F13 VanDerWaalsContact O-N 3.07Å; R11-F13 PolarHBondContact O-N 2.86Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.77Å; F13-L16 PolarHBondContact O-N 2.78Å; F13-E17 WeakPolarHBondContact O-CG 3.38Å; F13-E17 PolarHBondContact O-N 3.02Å |
| 14 | R | 97.1 | Very high | 88.1 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 19% | 0.192 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 173.4 | 172.2 | 58.5 | 65.4 | 82.9 | 5.7 | 111.8 | V9 P10 R11 E17 E18 Y73 P74 N111 | V9-R14 HydrophobicContact CG1-CB 4.31Å; P10-R14 PolarHBondContact O-N 3.38Å; P10-R14 VanDerWaalsContact O-N 3.09Å; R11-R14 PolarHBondContact O-N 3.36Å; R14-E17 IonicContact NE-OE2 2.7Å; R14-E17 WeakPolarHBondContact O-CB 3.05Å; R14-E17 PolarHBondContact O-N 2.53Å; R14-E18 WeakPolarHBondContact CD-OE1 3.24Å; R14-E18 WeakPolarHBondContact CG-OE1 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.38Å; R14-E18 PolarHBondContact O-N 2.87Å; R14-Y73 HydrophobicContact CG-CE1 4.2Å; R14-P74 HydrophobicContact CG-CG 4.16Å; R14-N111 PolarHBondContact NH1-O 2.97Å |
| 15 | L | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.7 | -32 | -179.2 | -72.3 | 167.4 | 0 | 0 | 0 | 112.7 | R11 N12 F13 E18 L19 L43 W46 C69 Y73 | R11-L15 HydrophobicContact CG-CD1 3.59Å; R11-L15 HydrophobicContact CG-CG 4.41Å; R11-L15 WeakPolarHBondContact O-CG 3.39Å; R11-L15 PolarHBondContact O-N 3.27Å; N12-L15 PolarHBondContact O-N 3Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.77Å; L15-E18 PolarHBondContact O-N 2.89Å; L15-L19 WeakPolarHBondContact O-CB 3.22Å; L15-L19 PolarHBondContact O-N 3.06Å; L15-L43 HydrophobicContact CB-CB 3.86Å; L15-L43 HydrophobicContact CB-CD1 3.69Å; L15-L43 HydrophobicContact CB-CG 4.43Å; L15-L43 HydrophobicContact CD1-CB 3.92Å; L15-L43 WeakPolarHBondContact CD1-O 3.36Å; L15-L43 HydrophobicContact CG-CB 4.44Å; L15-W46 HydrophobicContact CB-CZ2 4.13Å; L15-W46 HydrophobicContact CD2-CZ2 3.78Å; L15-W46 WeakPolarHBondContact O-CH2 3.48Å; L15-C69 HydrophobicContact CD1-CB 4.31Å; L15-C69 HydrophobicContact CD2-CB 3.82Å; L15-Y73 HydrophobicContact CD1-CD1 4.36Å; L15-Y73 HydrophobicContact CD2-CD1 3.69Å; L15-Y73 HydrophobicContact CD2-CE1 3.52Å; L15-Y73 HydrophobicContact CG-CD1 4.03Å; L15-Y73 HydrophobicContact CG-CE1 4.14Å |
| 16 | L | 97.3 | Very high | 90.8 | Very high | 87 Ų | 87 | 75 Ų | 75 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 171.4 | -73.9 | 170.5 | 0 | 0 | 0 | 111.7 | N12 F13 L19 E20 L43 | N12-L16 WeakPolarHBondContact O-CB 3.34Å; N12-L16 VanDerWaalsContact O-CG 3.28Å; N12-L16 WeakPolarHBondContact O-CG 3.26Å; N12-L16 PolarHBondContact O-N 3.49Å; F13-L16 PolarHBondContact O-N 2.78Å; L16-L19 WeakPolarHBondContact O-CB 3.15Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-E20 PolarHBondContact O-N 2.85Å; L16-L43 HydrophobicContact CD2-CD1 3.84Å; L16-L43 HydrophobicContact CG-CD1 3.76Å |
| 17 | E | 96.2 | Very high | 91.3 | Very high | 87 Ų | 87 | 76.2 Ų | 76.2 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 172.4 | -70.6 | 167 | 179 | 0 | 0 | 110.4 | F13 R14 L19 E20 E21 | F13-E17 WeakPolarHBondContact O-CG 3.38Å; F13-E17 PolarHBondContact O-N 3.02Å; R14-E17 IonicContact NE-OE2 2.7Å; R14-E17 WeakPolarHBondContact O-CB 3.05Å; R14-E17 PolarHBondContact O-N 2.53Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 2.98Å; E17-E20 PolarHBondContact O-N 3.02Å; E17-E21 WeakPolarHBondContact O-CG 3.12Å; E17-E21 PolarHBondContact O-N 2.8Å |
| 18 | E | 97.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -30.9 | 177.6 | -69.8 | -174.7 | -124.3 | 0 | 0 | 112.8 | R14 L15 G22 W33 W46 Y73 S114 I115 | R14-E18 WeakPolarHBondContact CD-OE1 3.24Å; R14-E18 WeakPolarHBondContact CG-OE1 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.38Å; R14-E18 PolarHBondContact O-N 2.87Å; L15-E18 PolarHBondContact O-N 2.89Å; E18-G22 PolarHBondContact O-N 2.86Å; E18-W33 PolarHBondContact O-NE1 3.35Å; E18-W46 HydrophobicContact CB-CH2 4.41Å; E18-Y73 VanDerWaalsContact CD-OH 3.24Å; E18-Y73 WeakPolarHBondContact OE1-CE1 3.48Å; E18-Y73 PolarHBondContact OE1-OH 3.33Å; E18-Y73 PolarHBondContact OE2-OH 3.33Å; E18-Y73 VanDerWaalsContact OE2-OH 3.07Å; E18-S114 WeakPolarHBondContact OE2-CB 3.44Å; E18-I115 WeakPolarHBondContact OE2-CB 3.42Å; E18-I115 VanDerWaalsContact OE2-CG1 3.29Å; E18-I115 WeakPolarHBondContact OE2-CG1 3.4Å; E18-I115 PolarHBondContact OE2-N 2.75Å |
| 19 | L | 96.9 | Very high | 91.9 | Very high | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 174.6 | -176.2 | 55.9 | 0 | 0 | 0 | 111.2 | L15 L16 E17 E21 G22 Q23 L35 L43 W46 | L15-L19 WeakPolarHBondContact O-CB 3.22Å; L15-L19 PolarHBondContact O-N 3.06Å; L16-L19 WeakPolarHBondContact O-CB 3.15Å; L16-L19 PolarHBondContact O-N 2.86Å; E17-L19 VanDerWaalsContact C-N 3.28Å; E17-L19 PolarHBondContact O-N 2.98Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-G22 PolarHBondContact O-N 2.93Å; L19-Q23 HydrophobicContact CD1-CG 4.49Å; L19-Q23 WeakPolarHBondContact O-CG 3.26Å; L19-Q23 PolarHBondContact O-N 2.92Å; L19-L35 HydrophobicContact CD1-CD1 4.3Å; L19-L35 HydrophobicContact CD1-CG 3.95Å; L19-L35 HydrophobicContact CD2-CD1 3.86Å; L19-L35 HydrophobicContact CD2-CG 4.34Å; L19-L43 HydrophobicContact CD2-CD2 4.42Å; L19-W46 HydrophobicContact CB-CH2 3.72Å; L19-W46 HydrophobicContact CB-CZ3 4.2Å; L19-W46 HydrophobicContact CD1-CH2 4.14Å; L19-W46 HydrophobicContact CD1-CZ3 3.93Å; L19-W46 HydrophobicContact CG-CH2 4.49Å |
| 20 | E | 95.5 | Very high | 92.1 | Very high | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.6 | -171.2 | -177.1 | 168.9 | 0 | 0 | 111.1 | L16 E17 Q23 K24 | L16-E20 PolarHBondContact O-N 2.85Å; E17-E20 PolarHBondContact O-N 3.02Å; E20-Q23 PolarHBondContact O-N 3.28Å; E20-K24 HydrophobicContact CG-CD 4.4Å; E20-K24 WeakPolarHBondContact O-CG 3.22Å; E20-K24 PolarHBondContact O-N 2.96Å; E20-K24 VanDerWaalsContact OE1-CE 3.25Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 2.85Å; E20-K24 PolarHBondContact OE1-NZ 3.16Å |
| 21 | E | 94.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 173 | -71.7 | 179.2 | -179.2 | 0 | 0 | 111.9 | E17 L19 Q23 K24 G25 W33 | E17-E21 WeakPolarHBondContact O-CG 3.12Å; E17-E21 PolarHBondContact O-N 2.8Å; L19-E21 VanDerWaalsContact C-N 3.33Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.46Å; E21-K24 PolarHBondContact O-N 2.79Å; E21-G25 PolarHBondContact O-N 3.09Å; E21-G25 VanDerWaalsContact O-N 3.09Å; E21-W33 HydrophobicContact CB-CZ2 3.87Å |
| 22 | G | 93.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E18 L19 G25 W33 | E18-G22 PolarHBondContact O-N 2.86Å; L19-G22 PolarHBondContact O-N 2.93Å; G22-G25 PolarHBondContact O-N 2.83Å; G22-W33 WeakPolarHBondContact CA-O 3.24Å |
| 23 | Q | 90.1 | Very high | 92.3 | Very high | 151 Ų | 151 | 63.4 Ų | 63.4 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73.5 | -38 | 178.6 | -73.8 | 179 | -13.8 | 0 | 0 | 113.5 | L19 E20 E21 G25 | L19-Q23 HydrophobicContact CD1-CG 4.49Å; L19-Q23 WeakPolarHBondContact O-CG 3.26Å; L19-Q23 PolarHBondContact O-N 2.92Å; E20-Q23 PolarHBondContact O-N 3.28Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.46Å; Q23-G25 PolarHBondContact O-N 3.07Å |
| 24 | K | 90.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 58.1 Ų | 58.1 | 64% | 0.635 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.4 | -31.5 | 174.2 | -73.5 | 172.5 | -175.8 | 167.9 | 0 | 111.3 | E20 E21 | E20-K24 HydrophobicContact CG-CD 4.4Å; E20-K24 WeakPolarHBondContact O-CG 3.22Å; E20-K24 PolarHBondContact O-N 2.96Å; E20-K24 VanDerWaalsContact OE1-CE 3.25Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 2.85Å; E20-K24 PolarHBondContact OE1-NZ 3.16Å; E21-K24 PolarHBondContact O-N 2.79Å |
| 25 | G | 79.3 | Confident | 92.4 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | trans | 72.6 | 145.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E21 G22 Q23 | E21-G25 PolarHBondContact O-N 3.09Å; E21-G25 VanDerWaalsContact O-N 3.09Å; G22-G25 PolarHBondContact O-N 2.83Å; Q23-G25 PolarHBondContact O-N 3.07Å | ||
| 26 | E | 73.4 | Confident | 92.3 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | trans | -139.4 | 150.8 | -178.4 | -76 | -160.5 | 130.1 | 0 | 0 | 112.9 | K116 | E26-K116 WeakPolarHBondContact OE2-CD 3.37Å; E26-K116 VanDerWaalsContact OE2-CE 3.25Å; E26-K116 WeakPolarHBondContact OE2-CE 3.37Å; E26-K116 IonicContact OE2-NZ 2.63Å; E26-K116 PolarHBondContact OE2-NZ 3.17Å | ||
| 27 | G | 78.1 | Confident | 92.2 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 86% | 0.856 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -139.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G29 | G27-G29 VanDerWaalsContact C-N 3.27Š|
| 28 | D | 86.5 | Confident | 92 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.9 | -179.8 | 64.9 | -1.9 | 0 | 0 | 0 | 113.4 | T30 | D28-T30 HydrophobicContact CB-CG2 4.38Å; D28-T30 PolarHBondContact O-N 2.91Å; D28-T30 VanDerWaalsContact OD1-CB 3.27Å; D28-T30 WeakPolarHBondContact OD1-CB 3.26Å; D28-T30 VanDerWaalsContact OD1-CG2 3.23Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.35Å; D28-T30 PolarHBondContact OD1-N 3.48Å; D28-T30 VanDerWaalsContact OD1-N 3.08Å; D28-T30 PolarHBondContact OD1-OG1 3.24Å; D28-T30 VanDerWaalsContact OD2-CG2 3.31Å; D28-T30 WeakPolarHBondContact OD2-CG2 2.92Å; D28-T30 PolarHBondContact OD2-OG1 2.91Å |
| 29 | G | 90.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 70.6 | 12.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G27 V31 I51 | G27-G29 VanDerWaalsContact C-N 3.27Å; G29-V31 VanDerWaalsContact C-N 3.28Å; G29-V31 PolarHBondContact O-N 3.38Å; G29-I51 WeakPolarHBondContact O-CD1 3.36Å |
| 30 | T | 95.2 | Very high | 91.7 | Very high | 22 Ų | 22 | 69.3 Ų | 69.3 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -78.8 | -11.6 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | D28 I51 R123 | D28-T30 HydrophobicContact CB-CG2 4.38Å; D28-T30 PolarHBondContact O-N 2.91Å; D28-T30 VanDerWaalsContact OD1-CB 3.27Å; D28-T30 WeakPolarHBondContact OD1-CB 3.26Å; D28-T30 VanDerWaalsContact OD1-CG2 3.23Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.35Å; D28-T30 PolarHBondContact OD1-N 3.48Å; D28-T30 VanDerWaalsContact OD1-N 3.08Å; D28-T30 PolarHBondContact OD1-OG1 3.24Å; D28-T30 VanDerWaalsContact OD2-CG2 3.31Å; D28-T30 WeakPolarHBondContact OD2-CG2 2.92Å; D28-T30 PolarHBondContact OD2-OG1 2.91Å; T30-I51 PolarHBondContact O-N 2.86Å; T30-R123 PolarHBondContact OG1-NE 2.74Å; T30-R123 PolarHBondContact OG1-NH1 2.91Å |
| 31 | V | 97.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 72.7 Ų | 72.7 | 6% | 0.055 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.8 | 167.9 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | G29 M49 I50 L119 Q120 R123 | G29-V31 VanDerWaalsContact C-N 3.28Å; G29-V31 PolarHBondContact O-N 3.38Å; V31-M49 VanDerWaalsContact CA-O 3.25Å; V31-M49 WeakPolarHBondContact CA-O 3.47Å; V31-I50 HydrophobicContact CG1-CG1 4.1Å; V31-L119 HydrophobicContact CB-CB 3.98Å; V31-L119 HydrophobicContact CG1-CB 4.08Å; V31-L119 HydrophobicContact CG2-CB 4.42Å; V31-Q120 HydrophobicContact CG2-CG 3.88Å; V31-R123 HydrophobicContact CG1-CB 4.29Å |
| 32 | S | 97 | Very high | 91.7 | Very high | 51 Ų | 51 | 72.8 Ų | 72.8 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.5 | 173 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | G48 M49 L119 | S32-G48 CarbonylContact O-C 3.46Å; S32-G48 WeakPolarHBondContact O-CA 3.39Å; S32-M49 PolarHBondContact N-O 2.65Å; S32-M49 PolarHBondContact O-N 2.72Å; S32-M49 WeakPolarHBondContact OG-CB 3.43Å; S32-L119 VanDerWaalsContact O-CD1 3.25Å; S32-L119 WeakPolarHBondContact O-CD1 3.45Å |
| 33 | W | 98.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 72.7 Ų | 72.7 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.5 | 177.6 | 62.7 | 96.6 | 0 | 0 | 0 | 110.8 | E18 E21 G22 W46 T47 I115 K116 L119 | E18-W33 PolarHBondContact O-NE1 3.35Å; E21-W33 HydrophobicContact CB-CZ2 3.87Å; G22-W33 WeakPolarHBondContact CA-O 3.24Å; W33-W46 AromaticContact CD1-CE3 3.9Å; W33-W46 AromaticContact CD1-CZ3 3.78Å; W33-T47 CarbonylContact C-O 3.47Å; W33-T47 VanDerWaalsContact CA-O 3.23Å; W33-T47 WeakPolarHBondContact CA-O 3.45Å; W33-I115 HydrophobicContact CB-CG2 3.74Å; W33-I115 HydrophobicContact CD2-CG2 4.45Å; W33-I115 HydrophobicContact CG-CB 4.37Å; W33-I115 HydrophobicContact CG-CG2 3.78Å; W33-K116 HydrophobicContact CE3-CB 4.21Å; W33-K116 HydrophobicContact CH2-CB 3.51Å; W33-K116 HydrophobicContact CH2-CD 3.76Å; W33-K116 HydrophobicContact CH2-CG 3.61Å; W33-K116 HydrophobicContact CZ2-CB 3.85Å; W33-K116 HydrophobicContact CZ2-CD 4.49Å; W33-K116 HydrophobicContact CZ2-CG 4.41Å; W33-K116 HydrophobicContact CZ3-CB 3.69Å; W33-K116 HydrophobicContact CZ3-CD 4.33Å; W33-K116 HydrophobicContact CZ3-CG 3.71Å; W33-L119 HydrophobicContact CB-CD1 3.91Å; W33-L119 HydrophobicContact CE3-CD1 4.21Å |
| 34 | G | 97.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W46 T47 | G34-W46 VanDerWaalsContact C-CE3 3.43Å; G34-W46 CarbonylContact O-C 3.47Å; G34-W46 VanDerWaalsContact O-CA 3.24Å; G34-W46 WeakPolarHBondContact O-CA 3.28Å; G34-T47 PolarHBondContact N-O 2.93Å; G34-T47 PolarHBondContact O-N 2.87Å |
| 35 | L | 97.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142.2 | 174.7 | -70.3 | 174.7 | 0 | 0 | 0 | 110.6 | L19 D37 L43 W46 | L19-L35 HydrophobicContact CD1-CD1 4.3Å; L19-L35 HydrophobicContact CD1-CG 3.95Å; L19-L35 HydrophobicContact CD2-CD1 3.86Å; L19-L35 HydrophobicContact CD2-CG 4.34Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-L43 HydrophobicContact CD1-CD2 3.64Å; L35-L43 HydrophobicContact CD2-CB 4.31Å; L35-L43 HydrophobicContact CD2-CD2 3.89Å; L35-L43 HydrophobicContact CG-CD2 4.3Å; L35-W46 HydrophobicContact CD2-CD2 3.98Å; L35-W46 HydrophobicContact CD2-CE3 4.35Å; L35-W46 HydrophobicContact CD2-CH2 4.26Å; L35-W46 HydrophobicContact CD2-CZ2 3.83Å; L35-W46 HydrophobicContact CD2-CZ3 4.49Å |
| 36 | E | 96.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72 | -30.8 | 170.4 | 178.6 | 170.3 | 119 | 0 | 0 | 111.6 | R45 K66 | E36-R45 HydrophobicContact CB-CB 3.98Å; E36-R45 PolarHBondContact N-O 2.79Å; E36-R45 IonicContact OE1-NE 3.3Å; E36-K66 IonicContact OE1-NZ 2.78Å; E36-K66 PolarHBondContact OE1-NZ 3.41Å; E36-K66 WeakPolarHBondContact OE2-CD 3.35Å; E36-K66 WeakPolarHBondContact OE2-CE 3.23Å; E36-K66 IonicContact OE2-NZ 3.96Å; E36-K66 PolarHBondContact OE2-NZ 3.41Å |
| 37 | D | 94.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 61.6 Ų | 61.6 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | trans | -137.4 | 114.6 | -175.4 | 178.4 | -1.7 | 0 | 0 | 0 | 107.5 | L35 E39 D40 R45 | L35-D37 VanDerWaalsContact C-N 3.3Å; D37-E39 PolarHBondContact O-N 2.84Å; D37-E39 PolarHBondContact OD1-N 2.95Å; D37-E39 VanDerWaalsContact OD1-N 3.11Å; D37-D40 HydrophobicContact CB-CB 4.08Å; D37-D40 WeakPolarHBondContact O-CB 3.45Å; D37-D40 PolarHBondContact O-N 3.47Å; D37-D40 VanDerWaalsContact O-N 3.14Å; D37-R45 IonicContact OD2-NH2 2.6Å; D37-R45 PolarHBondContact OD2-NH2 2.99Å | ||
| 38 | D | 92.2 | Very high | 95.7 | Very high | 147 Ų | 147 | 57.7 Ų | 57.7 | 79% | 0.786 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.8 | -176.6 | 59.6 | -33.2 | 0 | 0 | 0 | 113 | ||
| 39 | E | 94.2 | Very high | 96.2 | Very high | 163 Ų | 163 | 54.6 Ų | 54.6 | 76% | 0.762 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.7 | 171.9 | -57.6 | -172 | 170.8 | 0 | 0 | 112.6 | D37 M41 | D37-E39 PolarHBondContact O-N 2.84Å; D37-E39 PolarHBondContact OD1-N 2.95Å; D37-E39 VanDerWaalsContact OD1-N 3.11Å; E39-M41 PolarHBondContact O-N 3.28Å |
| 40 | D | 93.4 | Very high | 96.6 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -72.1 | 86 | 178.7 | -177.5 | 16.4 | 0 | 0 | 0 | 112.2 | D37 T42 L43 T44 R45 | D37-D40 HydrophobicContact CB-CB 4.08Å; D37-D40 WeakPolarHBondContact O-CB 3.45Å; D37-D40 PolarHBondContact O-N 3.47Å; D37-D40 VanDerWaalsContact O-N 3.14Å; D40-T42 PolarHBondContact O-N 3.41Å; D40-T42 WeakPolarHBondContact OD1-CA 3.38Å; D40-T42 VanDerWaalsContact OD1-CB 3.26Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 3.01Å; D40-T42 PolarHBondContact OD1-OG1 2.81Å; D40-T42 PolarHBondContact OD2-OG1 2.84Å; D40-L43 PolarHBondContact O-N 2.93Å; D40-L43 PolarHBondContact OD1-N 2.98Å; D40-T44 PolarHBondContact OD2-N 3.21Å; D40-R45 PolarHBondContact OD2-N 3.09Å | ||
| 41 | M | 93.8 | Very high | 96.8 | Very high | 172 Ų | 172 | 54.5 Ų | 54.5 | 85% | 0.847 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.4 | 173.5 | -60.7 | -171.4 | 75.2 | 0 | 0 | 113.8 | E39 L43 | E39-M41 PolarHBondContact O-N 3.28Å; M41-L43 VanDerWaalsContact C-N 3.32Å |
| 42 | T | 96 | Very high | 96.8 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12 | 177 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | R11 D40 T44 | R11-T42 PolarHBondContact NH1-O 3.28Å; R11-T42 PolarHBondContact NH2-O 2.87Å; D40-T42 PolarHBondContact O-N 3.41Å; D40-T42 WeakPolarHBondContact OD1-CA 3.38Å; D40-T42 VanDerWaalsContact OD1-CB 3.26Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 3.01Å; D40-T42 PolarHBondContact OD1-OG1 2.81Å; D40-T42 PolarHBondContact OD2-OG1 2.84Å; T42-T44 WeakPolarHBondContact CB-OG1 3.36Å; T42-T44 PolarHBondContact O-N 3Å; T42-T44 PolarHBondContact O-OG1 3.11Å; T42-T44 WeakPolarHBondContact OG1-CB 3.44Å; T42-T44 PolarHBondContact OG1-OG1 3.25Å |
| 43 | L | 97.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | trans | 54.1 | 38.1 | 179.7 | -52.1 | 172.1 | 0 | 0 | 0 | 112 | L15 L16 L19 L35 D40 M41 W46 | L15-L43 HydrophobicContact CB-CB 3.86Å; L15-L43 HydrophobicContact CB-CD1 3.69Å; L15-L43 HydrophobicContact CB-CG 4.43Å; L15-L43 HydrophobicContact CD1-CB 3.92Å; L15-L43 WeakPolarHBondContact CD1-O 3.36Å; L15-L43 HydrophobicContact CG-CB 4.44Å; L16-L43 HydrophobicContact CD2-CD1 3.84Å; L16-L43 HydrophobicContact CG-CD1 3.76Å; L19-L43 HydrophobicContact CD2-CD2 4.42Å; L35-L43 HydrophobicContact CD1-CD2 3.64Å; L35-L43 HydrophobicContact CD2-CB 4.31Å; L35-L43 HydrophobicContact CD2-CD2 3.89Å; L35-L43 HydrophobicContact CG-CD2 4.3Å; D40-L43 PolarHBondContact O-N 2.93Å; D40-L43 PolarHBondContact OD1-N 2.98Å; M41-L43 VanDerWaalsContact C-N 3.32Å; L43-W46 HydrophobicContact CB-CZ2 4.33Å; L43-W46 PolarHBondContact O-NE1 2.79Å | ||
| 44 | T | 98.1 | Very high | 96.8 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | trans | -92.5 | -42.1 | -168.7 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | R11 D40 T42 E68 C69 | R11-T44 PolarHBondContact NH2-OG1 3.4Å; R11-T44 VanDerWaalsContact NH2-OG1 3.09Å; D40-T44 PolarHBondContact OD2-N 3.21Å; T42-T44 WeakPolarHBondContact CB-OG1 3.36Å; T42-T44 PolarHBondContact O-N 3Å; T42-T44 PolarHBondContact O-OG1 3.11Å; T42-T44 WeakPolarHBondContact OG1-CB 3.44Å; T42-T44 PolarHBondContact OG1-OG1 3.25Å; T44-E68 HydrophobicContact CG2-CG 3.81Å; T44-E68 CarbonylContact O-C 3.57Å; T44-E68 WeakPolarHBondContact O-CA 3.44Å; T44-C69 PolarHBondContact O-N 2.99Å | ||
| 45 | R | 98.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127 | -174.7 | -63.3 | -174.9 | -61.1 | -79.9 | -3.6 | 111.5 | E36 D37 D40 | E36-R45 HydrophobicContact CB-CB 3.98Å; E36-R45 PolarHBondContact N-O 2.79Å; E36-R45 IonicContact OE1-NE 3.3Å; D37-R45 IonicContact OD2-NH2 2.6Å; D37-R45 PolarHBondContact OD2-NH2 2.99Å; D40-R45 PolarHBondContact OD2-N 3.09Å |
| 46 | W | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.8 | -176.5 | -62.6 | 75.3 | 0 | 0 | 0 | 110.8 | L15 E18 L19 W33 G34 L35 L43 K66 V67 I115 | L15-W46 HydrophobicContact CB-CZ2 4.13Å; L15-W46 HydrophobicContact CD2-CZ2 3.78Å; L15-W46 WeakPolarHBondContact O-CH2 3.48Å; E18-W46 HydrophobicContact CB-CH2 4.41Å; L19-W46 HydrophobicContact CB-CH2 3.72Å; L19-W46 HydrophobicContact CB-CZ3 4.2Å; L19-W46 HydrophobicContact CD1-CH2 4.14Å; L19-W46 HydrophobicContact CD1-CZ3 3.93Å; L19-W46 HydrophobicContact CG-CH2 4.49Å; W33-W46 AromaticContact CD1-CE3 3.9Å; W33-W46 AromaticContact CD1-CZ3 3.78Å; G34-W46 VanDerWaalsContact C-CE3 3.43Å; G34-W46 CarbonylContact O-C 3.47Å; G34-W46 VanDerWaalsContact O-CA 3.24Å; G34-W46 WeakPolarHBondContact O-CA 3.28Å; L35-W46 HydrophobicContact CD2-CD2 3.98Å; L35-W46 HydrophobicContact CD2-CE3 4.35Å; L35-W46 HydrophobicContact CD2-CH2 4.26Å; L35-W46 HydrophobicContact CD2-CZ2 3.83Å; L35-W46 HydrophobicContact CD2-CZ3 4.49Å; L43-W46 HydrophobicContact CB-CZ2 4.33Å; L43-W46 PolarHBondContact O-NE1 2.79Å; W46-K66 WeakPolarHBondContact O-CA 3.37Å; W46-V67 HydrophobicContact CB-CB 4.13Å; W46-V67 PolarHBondContact N-O 3.45Å; W46-V67 PolarHBondContact O-N 2.98Å; W46-I115 HydrophobicContact CB-CD1 4.24Å; W46-I115 HydrophobicContact CD2-CD1 3.39Å; W46-I115 HydrophobicContact CE3-CD1 3.71Å; W46-I115 HydrophobicContact CG-CD1 3.63Å; W46-I115 HydrophobicContact CH2-CD1 4.42Å; W46-I115 HydrophobicContact CZ2-CD1 4.21Å; W46-I115 HydrophobicContact CZ3-CD1 4.21Å |
| 47 | T | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.2 | 166.5 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | W33 G34 L65 | W33-T47 CarbonylContact C-O 3.47Å; W33-T47 VanDerWaalsContact CA-O 3.23Å; W33-T47 WeakPolarHBondContact CA-O 3.45Å; G34-T47 PolarHBondContact N-O 2.93Å; G34-T47 PolarHBondContact O-N 2.87Å; T47-L65 WeakPolarHBondContact CA-O 3.46Å |
| 48 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S32 S64 L65 | S32-G48 CarbonylContact O-C 3.46Å; S32-G48 WeakPolarHBondContact O-CA 3.39Å; G48-S64 CarbonylContact O-C 3.58Å; G48-S64 WeakPolarHBondContact O-CA 3.22Å; G48-L65 PolarHBondContact N-O 3.36Å; G48-L65 PolarHBondContact O-N 2.99Å |
| 49 | M | 97.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.5 | 174.9 | 179 | 176.4 | 147.1 | 0 | 0 | 110.2 | V31 S32 I51 I62 Y63 | V31-M49 VanDerWaalsContact CA-O 3.25Å; V31-M49 WeakPolarHBondContact CA-O 3.47Å; S32-M49 PolarHBondContact N-O 2.65Å; S32-M49 PolarHBondContact O-N 2.72Å; S32-M49 WeakPolarHBondContact OG-CB 3.43Å; M49-I51 HydrophobicContact CE-CD1 4.19Å; M49-I51 HydrophobicContact CE-CG1 3.77Å; M49-I62 HydrophobicContact CE-CB 4.49Å; M49-I62 HydrophobicContact CE-CD1 3.97Å; M49-I62 HydrophobicContact CE-CG1 4.09Å; M49-I62 HydrophobicContact CE-CG2 3.64Å; M49-I62 HydrophobicContact CG-CG2 3.63Å; M49-I62 HydrophobicContact SD-CG2 3.7Å; M49-Y63 CarbonylContact C-O 3.53Å; M49-Y63 VanDerWaalsContact CA-O 3.31Å; M49-Y63 WeakPolarHBondContact CA-O 3.34Å |
| 50 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.6 | 173.1 | -61.4 | 174.7 | 0 | 0 | 0 | 108.7 | V31 Y63 L65 L119 L122 R123 M126 | V31-I50 HydrophobicContact CG1-CG1 4.1Å; I50-Y63 PolarHBondContact N-O 2.97Å; I50-Y63 PolarHBondContact O-N 3.21Å; I50-L65 HydrophobicContact CB-CD1 4.46Å; I50-L65 HydrophobicContact CD1-CD1 3.89Å; I50-L65 HydrophobicContact CD1-CD2 4.33Å; I50-L65 HydrophobicContact CG1-CD1 3.9Å; I50-L119 HydrophobicContact CD1-CB 4.47Å; I50-L119 HydrophobicContact CD1-CD2 4.17Å; I50-L119 HydrophobicContact CG1-CB 4.32Å; I50-L119 HydrophobicContact CG1-CD2 4.18Å; I50-L122 HydrophobicContact CD1-CB 3.77Å; I50-L122 HydrophobicContact CD1-CD1 4.44Å; I50-R123 HydrophobicContact CG2-CB 3.79Å; I50-R123 HydrophobicContact CG2-CG 3.85Å; I50-M126 HydrophobicContact CB-CE 4.46Å; I50-M126 HydrophobicContact CD1-CE 4.16Å; I50-M126 HydrophobicContact CG2-CE 3.94Å; I50-M126 HydrophobicContact CG2-SD 4.09Å |
| 51 | I | 98.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 57 Ų | 57 | 33% | 0.328 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.8 | 165.9 | -56.1 | -177.3 | 0 | 0 | 0 | 107.9 | G29 T30 M49 R123 | G29-I51 WeakPolarHBondContact O-CD1 3.36Å; T30-I51 PolarHBondContact O-N 2.86Å; M49-I51 HydrophobicContact CE-CD1 4.19Å; M49-I51 HydrophobicContact CE-CG1 3.77Å; I51-R123 PolarHBondContact O-NE 2.81Å; I51-R123 VanDerWaalsContact O-NE 3.12Å |
| 52 | G | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 131.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y58 R61 | G52-Y58 WeakPolarHBondContact CA-O 3.3Å; G52-R61 PolarHBondContact N-O 3.34Å |
| 53 | P | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 144.1 | -174.3 | 25.3 | -33.3 | 0 | 0 | 0 | 112.4 | T56 M126 M127 | P53-T56 HydrophobicContact CB-CG2 4.33Å; P53-T56 HydrophobicContact CG-CG2 3.91Å; P53-T56 PolarHBondContact O-OG1 3.07Å; P53-M126 HydrophobicContact CG-CB 3.75Å; P53-M127 HydrophobicContact CB-CG 3.5Å; P53-M127 HydrophobicContact CB-SD 3.85Å; P53-M127 HydrophobicContact CG-CG 3.54Å |
| 54 | A | 96.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 152.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T56 | A54-T56 VanDerWaalsContact C-N 3.26Å; A54-T56 PolarHBondContact O-N 3Å |
| 55 | R | 96.4 | Very high | 97.9 | Very high | 216 Ų | 216 | 50.1 Ų | 50.1 | 82% | 0.815 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 30.1 | -177.9 | -52.3 | 177.6 | -70.5 | -171.5 | -4.2 | 113.5 | E59 M132 | R55-E59 PolarHBondContact N-OE2 3.06Å; R55-M132 WeakPolarHBondContact O-CE 3.16Å |
| 56 | T | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -134.3 | 162.7 | 173.5 | 76.3 | 0 | 0 | 0 | 0 | 109.6 | P53 A54 Y58 E59 M127 M132 | P53-T56 HydrophobicContact CB-CG2 4.33Å; P53-T56 HydrophobicContact CG-CG2 3.91Å; P53-T56 PolarHBondContact O-OG1 3.07Å; A54-T56 VanDerWaalsContact C-N 3.26Å; A54-T56 PolarHBondContact O-N 3Å; T56-Y58 PolarHBondContact O-N 3.47Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.31Å; T56-Y58 WeakPolarHBondContact OG1-CD2 3.39Å; T56-Y58 PolarHBondContact OG1-N 3.48Å; T56-Y58 VanDerWaalsContact OG1-N 3.14Å; T56-E59 WeakPolarHBondContact O-CB 3.2Å; T56-E59 PolarHBondContact O-N 2.82Å; T56-M127 HydrophobicContact CG2-CG 4.37Å; T56-M132 WeakPolarHBondContact CA-O 3.43Å; T56-M132 HydrophobicContact CG2-CB 3.86Å |
| 57 | N | 98.3 | Very high | 97.9 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -4.9 | 173 | -70.9 | -5 | 0 | 0 | 0 | 113.6 | M132 K133 L134 Q136 | N57-M132 PolarHBondContact N-O 2.61Å; N57-K133 PolarHBondContact ND2-O 2.61Å; N57-L134 WeakPolarHBondContact CB-O 3.31Å; N57-L134 PolarHBondContact ND2-O 3.04Å; N57-Q136 HydrophobicContact CB-CG 4.06Å; N57-Q136 WeakPolarHBondContact O-CG 3.19Å |
| 58 | Y | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.7 | 174.5 | -49.8 | -77.1 | 0 | 0 | 0 | 112.7 | G52 T56 R61 Y63 I86 S87 M126 N131 Q136 | G52-Y58 WeakPolarHBondContact CA-O 3.3Å; T56-Y58 PolarHBondContact O-N 3.47Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.31Å; T56-Y58 WeakPolarHBondContact OG1-CD2 3.39Å; T56-Y58 PolarHBondContact OG1-N 3.48Å; T56-Y58 VanDerWaalsContact OG1-N 3.14Å; Y58-R61 WeakPolarHBondContact O-CB 3.44Å; Y58-R61 PolarHBondContact O-N 3.25Å; Y58-Y63 HydrophobicContact CD1-CE2 4.37Å; Y58-Y63 AromaticContact CD1-CZ 3.92Å; Y58-Y63 WeakPolarHBondContact CD1-OH 3.13Å; Y58-I86 HydrophobicContact CD1-CD1 4Å; Y58-I86 HydrophobicContact CD1-CG1 4.11Å; Y58-I86 HydrophobicContact CE1-CD1 3.75Å; Y58-I86 HydrophobicContact CE1-CG1 3.67Å; Y58-S87 WeakPolarHBondContact CE1-O 3.5Å; Y58-S87 PolarHBondContact OH-O 3.34Å; Y58-M126 HydrophobicContact CD1-CG 4.44Å; Y58-M126 HydrophobicContact CD1-SD 4.41Å; Y58-M126 HydrophobicContact CD2-CB 3.6Å; Y58-M126 HydrophobicContact CD2-CG 4.05Å; Y58-M126 HydrophobicContact CE2-CB 3.78Å; Y58-M126 HydrophobicContact CE2-CG 4.15Å; Y58-M126 VanDerWaalsContact CE2-O 3.27Å; Y58-M126 WeakPolarHBondContact CE2-O 3.43Å; Y58-M126 HydrophobicContact CG-CB 4.19Å; Y58-M126 HydrophobicContact CG-CG 4.21Å; Y58-M126 HydrophobicContact CG-SD 4.16Å; Y58-N131 HydrophobicContact CE2-CB 4.19Å; Y58-N131 WeakPolarHBondContact CE2-O 3.47Å; Y58-N131 WeakPolarHBondContact OH-CB 3.39Å; Y58-N131 PolarHBondContact OH-O 2.74Å; Y58-N131 VanDerWaalsContact OH-O 3.09Å; Y58-Q136 HydrophobicContact CD1-CG 4.18Å; Y58-Q136 HydrophobicContact CE1-CG 4.28Å |
| 59 | E | 97.6 | Very high | 97.9 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 146.5 | -176 | -178 | 168.1 | -163.6 | 0 | 0 | 112.7 | R55 T56 R61 | R55-E59 PolarHBondContact N-OE2 3.06Å; T56-E59 WeakPolarHBondContact O-CB 3.2Å; T56-E59 PolarHBondContact O-N 2.82Å; E59-R61 PolarHBondContact O-N 2.79Å |
| 60 | N | 95.2 | Very high | 97.9 | Very high | 141 Ų | 141 | 48.3 Ų | 48.3 | 75% | 0.754 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 14.4 | -178.5 | -57.9 | -38 | 0 | 0 | 0 | 115.6 | ||
| 61 | R | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | trans | -112.4 | 148 | 176.2 | -60 | 172.7 | 176.9 | -140.3 | 2.2 | 111.5 | G52 Y58 E59 Y63 P137 E139 | G52-R61 PolarHBondContact N-O 3.34Å; Y58-R61 WeakPolarHBondContact O-CB 3.44Å; Y58-R61 PolarHBondContact O-N 3.25Å; E59-R61 PolarHBondContact O-N 2.79Å; R61-Y63 HydrophobicContact CB-CE2 3.74Å; R61-Y63 WeakPolarHBondContact CD-OH 3.45Å; R61-P137 PolarHBondContact NH1-O 3.04Å; R61-E139 HydrophobicContact CG-CG 4.29Å | ||
| 62 | I | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 60 Ų | 60 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.8 | 172.8 | -61.1 | 174.4 | 0 | 0 | 0 | 108.7 | M49 | M49-I62 HydrophobicContact CE-CB 4.49Å; M49-I62 HydrophobicContact CE-CD1 3.97Å; M49-I62 HydrophobicContact CE-CG1 4.09Å; M49-I62 HydrophobicContact CE-CG2 3.64Å; M49-I62 HydrophobicContact CG-CG2 3.63Å; M49-I62 HydrophobicContact SD-CG2 3.7Å |
| 63 | Y | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.4 | 176.9 | -62.6 | -87.8 | 0 | 0 | 0 | 109.7 | M49 I50 Y58 R61 L65 F82 T84 I86 M126 | M49-Y63 CarbonylContact C-O 3.53Å; M49-Y63 VanDerWaalsContact CA-O 3.31Å; M49-Y63 WeakPolarHBondContact CA-O 3.34Å; I50-Y63 PolarHBondContact N-O 2.97Å; I50-Y63 PolarHBondContact O-N 3.21Å; Y58-Y63 HydrophobicContact CD1-CE2 4.37Å; Y58-Y63 AromaticContact CD1-CZ 3.92Å; Y58-Y63 WeakPolarHBondContact CD1-OH 3.13Å; R61-Y63 HydrophobicContact CB-CE2 3.74Å; R61-Y63 WeakPolarHBondContact CD-OH 3.45Å; Y63-L65 WeakPolarHBondContact O-CD1 3.42Å; Y63-F82 HydrophobicContact CD1-CD1 4.28Å; Y63-F82 HydrophobicContact CD1-CE1 4.25Å; Y63-F82 HydrophobicContact CG-CE1 4.26Å; Y63-T84 HydrophobicContact CD1-CG2 3.93Å; Y63-T84 HydrophobicContact CE1-CG2 4.32Å; Y63-I86 HydrophobicContact CD1-CB 4.13Å; Y63-I86 HydrophobicContact CD1-CD1 4.01Å; Y63-I86 HydrophobicContact CD1-CG1 4.28Å; Y63-I86 HydrophobicContact CE1-CB 3.9Å; Y63-I86 HydrophobicContact CE1-CD1 3.86Å; Y63-I86 HydrophobicContact CE1-CG1 3.81Å; Y63-M126 HydrophobicContact CD2-CE 4.16Å; Y63-M126 HydrophobicContact CG-CE 4.37Å |
| 64 | S | 98.4 | Very high | 97.8 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.6 | 170.1 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | G48 V83 T84 | G48-S64 CarbonylContact O-C 3.58Å; G48-S64 WeakPolarHBondContact O-CA 3.22Å; S64-V83 WeakPolarHBondContact O-CB 3.17Å; S64-V83 PolarHBondContact O-N 3.28Å; S64-T84 PolarHBondContact N-OG1 3Å; S64-T84 PolarHBondContact O-N 2.79Å |
| 65 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.6 | 179.5 | -58.8 | 90.4 | 0 | 0 | 0 | 109.3 | T47 G48 I50 Y63 V80 R81 F82 L119 L122 | T47-L65 WeakPolarHBondContact CA-O 3.46Å; G48-L65 PolarHBondContact N-O 3.36Å; G48-L65 PolarHBondContact O-N 2.99Å; I50-L65 HydrophobicContact CB-CD1 4.46Å; I50-L65 HydrophobicContact CD1-CD1 3.89Å; I50-L65 HydrophobicContact CD1-CD2 4.33Å; I50-L65 HydrophobicContact CG1-CD1 3.9Å; Y63-L65 WeakPolarHBondContact O-CD1 3.42Å; L65-V80 HydrophobicContact CD2-CG1 3.94Å; L65-R81 CarbonylContact C-O 3.59Å; L65-R81 VanDerWaalsContact CA-O 3.22Å; L65-R81 WeakPolarHBondContact CA-O 3.48Å; L65-R81 WeakPolarHBondContact CB-O 3.49Å; L65-F82 HydrophobicContact CD1-CD1 4.36Å; L65-F82 HydrophobicContact CD1-CE1 4.12Å; L65-F82 HydrophobicContact CD2-CD1 4.04Å; L65-F82 HydrophobicContact CD2-CD2 3.93Å; L65-F82 HydrophobicContact CD2-CE1 3.79Å; L65-F82 HydrophobicContact CD2-CE2 3.65Å; L65-F82 HydrophobicContact CD2-CG 4.12Å; L65-F82 HydrophobicContact CD2-CZ 3.59Å; L65-F82 HydrophobicContact CG-CD1 3.86Å; L65-F82 HydrophobicContact CG-CD2 4.45Å; L65-F82 HydrophobicContact CG-CE1 3.93Å; L65-F82 HydrophobicContact CG-CE2 4.49Å; L65-F82 HydrophobicContact CG-CG 4.14Å; L65-F82 HydrophobicContact CG-CZ 4.26Å; L65-L119 HydrophobicContact CD1-CD2 4.18Å; L65-L119 HydrophobicContact CD2-CD2 4.25Å; L65-L122 HydrophobicContact CD2-CD1 3.68Å |
| 66 | K | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.1 | 161.9 | -59.5 | -159.4 | 176.2 | -148.8 | 0 | 109.5 | E36 W46 V80 R81 V83 | E36-K66 IonicContact OE1-NZ 2.78Å; E36-K66 PolarHBondContact OE1-NZ 3.41Å; E36-K66 WeakPolarHBondContact OE2-CD 3.35Å; E36-K66 WeakPolarHBondContact OE2-CE 3.23Å; E36-K66 IonicContact OE2-NZ 3.96Å; E36-K66 PolarHBondContact OE2-NZ 3.41Å; W46-K66 WeakPolarHBondContact O-CA 3.37Å; K66-V80 WeakPolarHBondContact O-CA 3.25Å; K66-R81 HydrophobicContact CB-CG 3.89Å; K66-R81 PolarHBondContact N-O 3.42Å; K66-R81 PolarHBondContact O-N 3.04Å; K66-V83 HydrophobicContact CG-CG2 3.68Å |
| 67 | V | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127 | 175 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | W46 P78 T79 V80 I115 | W46-V67 HydrophobicContact CB-CB 4.13Å; W46-V67 PolarHBondContact N-O 3.45Å; W46-V67 PolarHBondContact O-N 2.98Å; V67-P78 HydrophobicContact CG1-CB 3.68Å; V67-P78 HydrophobicContact CG1-CG 4.03Å; V67-T79 CarbonylContact C-O 3.49Å; V67-T79 WeakPolarHBondContact CA-O 3.37Å; V67-V80 HydrophobicContact CG1-CG2 4.42Å; V67-V80 HydrophobicContact CG2-CG1 4.26Å; V67-V80 HydrophobicContact CG2-CG2 4.48Å; V67-I115 HydrophobicContact CG1-CG1 4.18Å; V67-I115 HydrophobicContact CG1-CG2 4.45Å; V67-I115 HydrophobicContact CG2-CG2 4.39Å |
| 68 | E | 98.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 51 Ų | 51 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.6 | 178.1 | -158.1 | -174.2 | 125.4 | 0 | 0 | 110.3 | T44 G70 P78 T79 | T44-E68 HydrophobicContact CG2-CG 3.81Å; T44-E68 CarbonylContact O-C 3.57Å; T44-E68 WeakPolarHBondContact O-CA 3.44Å; E68-G70 PolarHBondContact O-N 3.24Å; E68-P78 CarbonylContact O-C 3.58Å; E68-P78 VanDerWaalsContact O-CA 3.24Å; E68-P78 WeakPolarHBondContact O-CA 3.43Å; E68-P78 VanDerWaalsContact O-CB 3.31Å; E68-P78 WeakPolarHBondContact O-CB 3.49Å; E68-T79 VanDerWaalsContact CB-OG1 3.22Å; E68-T79 WeakPolarHBondContact CB-OG1 3.43Å; E68-T79 PolarHBondContact N-O 3.24Å; E68-T79 PolarHBondContact O-N 3.42Å |
| 69 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -89.3 | 89.8 | 176 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | R11 L15 T44 Y73 | R11-C69 PolarHBondContact NH2-O 3.06Å; L15-C69 HydrophobicContact CD1-CB 4.31Å; L15-C69 HydrophobicContact CD2-CB 3.82Å; T44-C69 PolarHBondContact O-N 2.99Å; C69-Y73 HydrophobicContact CB-CD1 4.03Å; C69-Y73 HydrophobicContact CB-CD2 4.23Å; C69-Y73 HydrophobicContact CB-CG 3.83Å | ||
| 70 | G | 97.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | trans | -61.9 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R11 E68 R72 Y73 | R11-G70 PolarHBondContact NE-O 2.63Å; E68-G70 PolarHBondContact O-N 3.24Å; G70-R72 PolarHBondContact O-N 3Å; G70-Y73 VanDerWaalsContact O-CB 3.26Å; G70-Y73 WeakPolarHBondContact O-CB 3.36Å; G70-Y73 PolarHBondContact O-N 3.16Å | ||
| 71 | P | 97.4 | Very high | 98 | Very high | 127 Ų | 127 | 47.7 Ų | 47.7 | 83% | 0.825 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.4 | -173.2 | -26 | 34.7 | 0 | 0 | 0 | 115.4 | R11 | R11-P71 WeakPolarHBondContact CD-O 3.23Š|
| 72 | R | 97.4 | Very high | 98 | Very high | 183 Ų | 183 | 45.3 Ų | 45.3 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.2 | 179 | -64.7 | -166.8 | -61.2 | -150.5 | -0.7 | 113.8 | G70 E75 T76 | G70-R72 PolarHBondContact O-N 3Å; R72-E75 WeakPolarHBondContact O-CA 3.44Å; R72-E75 VanDerWaalsContact O-CB 3.26Å; R72-E75 WeakPolarHBondContact O-CB 3.35Å; R72-E75 PolarHBondContact O-N 3.32Å; R72-T76 HydrophobicContact CB-CG2 3.88Å; R72-T76 WeakPolarHBondContact CB-OG1 3.29Å; R72-T76 PolarHBondContact O-N 3.1Å; R72-T76 VanDerWaalsContact O-N 3.11Å |
| 73 | Y | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 141.4 | 172 | -175.8 | -91.9 | 0 | 0 | 0 | 110.7 | R11 R14 L15 E18 C69 G70 P78 W109 S114 I115 | R11-Y73 WeakPolarHBondContact CB-O 3.32Å; R11-Y73 WeakPolarHBondContact CD-O 3.45Å; R11-Y73 WeakPolarHBondContact CG-O 3.45Å; R14-Y73 HydrophobicContact CG-CE1 4.2Å; L15-Y73 HydrophobicContact CD1-CD1 4.36Å; L15-Y73 HydrophobicContact CD2-CD1 3.69Å; L15-Y73 HydrophobicContact CD2-CE1 3.52Å; L15-Y73 HydrophobicContact CG-CD1 4.03Å; L15-Y73 HydrophobicContact CG-CE1 4.14Å; E18-Y73 VanDerWaalsContact CD-OH 3.24Å; E18-Y73 WeakPolarHBondContact OE1-CE1 3.48Å; E18-Y73 PolarHBondContact OE1-OH 3.33Å; E18-Y73 PolarHBondContact OE2-OH 3.33Å; E18-Y73 VanDerWaalsContact OE2-OH 3.07Å; C69-Y73 HydrophobicContact CB-CD1 4.03Å; C69-Y73 HydrophobicContact CB-CD2 4.23Å; C69-Y73 HydrophobicContact CB-CG 3.83Å; G70-Y73 VanDerWaalsContact O-CB 3.26Å; G70-Y73 WeakPolarHBondContact O-CB 3.36Å; G70-Y73 PolarHBondContact O-N 3.16Å; Y73-P78 HydrophobicContact CD2-CB 4.25Å; Y73-P78 HydrophobicContact CE2-CB 4.28Å; Y73-P78 HydrophobicContact CE2-CG 4.15Å; Y73-W109 HydrophobicContact CD2-CZ2 4.37Å; Y73-W109 HydrophobicContact CE2-CH2 4.05Å; Y73-W109 AromaticContact CE2-CZ2 3.76Å; Y73-W109 HydrophobicContact CE2-CZ2 3.76Å; Y73-S114 WeakPolarHBondContact OH-CA 3.45Å; Y73-I115 PolarHBondContact OH-N 2.87Å |
| 74 | P | 97.3 | Very high | 98 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.9 | 11 | -1.4 | 38.2 | -38.7 | 0 | 0 | 0 | 113.9 | R14 T76 W109 N111 | R14-P74 HydrophobicContact CG-CG 4.16Å; P74-T76 PolarHBondContact O-N 2.82Å; P74-W109 PolarHBondContact O-NE1 3.24Å; P74-N111 HydrophobicContact CG-CB 4.48Å; P74-N111 VanDerWaalsContact O-CA 3.23Å; P74-N111 WeakPolarHBondContact O-CA 3.44Å; P74-N111 WeakPolarHBondContact O-CB 3.38Å |
| 75 | E | 97 | Very high | 98 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -28.9 | 176.4 | -58.8 | -61.7 | 172 | 0 | 0 | 112.5 | K8 R72 N111 | K8-E75 WeakPolarHBondContact CE-OE1 3.36Å; K8-E75 VanDerWaalsContact NZ-CD 3.26Å; K8-E75 IonicContact NZ-OE1 3.5Å; K8-E75 PolarHBondContact NZ-OE1 3.32Å; R72-E75 WeakPolarHBondContact O-CA 3.44Å; R72-E75 VanDerWaalsContact O-CB 3.26Å; R72-E75 WeakPolarHBondContact O-CB 3.35Å; R72-E75 PolarHBondContact O-N 3.32Å; E75-N111 PolarHBondContact OE2-ND2 2.99Å |
| 76 | T | 97.3 | Very high | 98 | Very high | 50 Ų | 50 | 44.7 Ų | 44.7 | 31% | 0.307 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -115.2 | 145 | 169.8 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | R72 P74 | R72-T76 HydrophobicContact CB-CG2 3.88Å; R72-T76 WeakPolarHBondContact CB-OG1 3.29Å; R72-T76 PolarHBondContact O-N 3.1Å; R72-T76 VanDerWaalsContact O-N 3.11Å; P74-T76 PolarHBondContact O-N 2.82Å |
| 77 | A | 98.1 | Very high | 98 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 26% | 0.256 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -54.6 | 148 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L106 W109 | A77-L106 HydrophobicContact CB-CD2 4.12Å; A77-W109 VanDerWaalsContact CA-CD2 3.48Å; A77-W109 HydrophobicContact CB-CB 3.9Å; A77-W109 HydrophobicContact CB-CD2 3.6Å; A77-W109 HydrophobicContact CB-CE3 3.79Å; A77-W109 HydrophobicContact CB-CG 3.63Å; A77-W109 VanDerWaalsContact N-CD1 3.3Å |
| 78 | P | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.045 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 159.5 | 169.8 | 32.7 | -33.6 | 0 | 0 | 0 | 110.2 | V67 E68 Y73 W109 V118 | V67-P78 HydrophobicContact CG1-CB 3.68Å; V67-P78 HydrophobicContact CG1-CG 4.03Å; E68-P78 CarbonylContact O-C 3.58Å; E68-P78 VanDerWaalsContact O-CA 3.24Å; E68-P78 WeakPolarHBondContact O-CA 3.43Å; E68-P78 VanDerWaalsContact O-CB 3.31Å; E68-P78 WeakPolarHBondContact O-CB 3.49Å; Y73-P78 HydrophobicContact CD2-CB 4.25Å; Y73-P78 HydrophobicContact CE2-CB 4.28Å; Y73-P78 HydrophobicContact CE2-CG 4.15Å; P78-W109 HydrophobicContact CG-CH2 4.43Å; P78-V118 HydrophobicContact CG-CG2 4.25Å |
| 79 | T | 98.3 | Very high | 98 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 53% | 0.534 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 145.7 | 165.7 | 72.2 | 0 | 0 | 0 | 0 | 109 | V67 E68 | V67-T79 CarbonylContact C-O 3.49Å; V67-T79 WeakPolarHBondContact CA-O 3.37Å; E68-T79 VanDerWaalsContact CB-OG1 3.22Å; E68-T79 WeakPolarHBondContact CB-OG1 3.43Å; E68-T79 PolarHBondContact N-O 3.24Å; E68-T79 PolarHBondContact O-N 3.42Å |
| 80 | V | 98.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.6 | -174.9 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | L65 K66 V67 V98 V118 L122 | L65-V80 HydrophobicContact CD2-CG1 3.94Å; K66-V80 WeakPolarHBondContact O-CA 3.25Å; V67-V80 HydrophobicContact CG1-CG2 4.42Å; V67-V80 HydrophobicContact CG2-CG1 4.26Å; V67-V80 HydrophobicContact CG2-CG2 4.48Å; V80-V98 HydrophobicContact CB-CB 4.06Å; V80-V98 HydrophobicContact CB-CG2 3.7Å; V80-V98 HydrophobicContact CG1-CG2 3.64Å; V80-V98 WeakPolarHBondContact O-CB 3.44Å; V80-V98 WeakPolarHBondContact O-CG2 3.38Å; V80-V98 PolarHBondContact O-N 3.16Å; V80-V118 HydrophobicContact CG2-CG1 3.79Å; V80-L122 HydrophobicContact CG1-CD1 4.18Å |
| 81 | R | 98.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 21% | 0.211 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.9 | 169.3 | 68.5 | -179.6 | -168.6 | 104 | -13.3 | 111.2 | L65 K66 G96 | L65-R81 CarbonylContact C-O 3.59Å; L65-R81 VanDerWaalsContact CA-O 3.22Å; L65-R81 WeakPolarHBondContact CA-O 3.48Å; L65-R81 WeakPolarHBondContact CB-O 3.49Å; K66-R81 HydrophobicContact CB-CG 3.89Å; K66-R81 PolarHBondContact N-O 3.42Å; K66-R81 PolarHBondContact O-N 3.04Å; R81-G96 CarbonylContact C-O 3.58Å; R81-G96 VanDerWaalsContact CA-O 3.3Å; R81-G96 WeakPolarHBondContact CA-O 3.34Å |
| 82 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 138.9 | 167 | -78.6 | -98.8 | 0 | 0 | 0 | 110.1 | Y63 L65 T84 I86 I91 G96 V98 L122 M126 Y143 | Y63-F82 HydrophobicContact CD1-CD1 4.28Å; Y63-F82 HydrophobicContact CD1-CE1 4.25Å; Y63-F82 HydrophobicContact CG-CE1 4.26Å; L65-F82 HydrophobicContact CD1-CD1 4.36Å; L65-F82 HydrophobicContact CD1-CE1 4.12Å; L65-F82 HydrophobicContact CD2-CD1 4.04Å; L65-F82 HydrophobicContact CD2-CD2 3.93Å; L65-F82 HydrophobicContact CD2-CE1 3.79Å; L65-F82 HydrophobicContact CD2-CE2 3.65Å; L65-F82 HydrophobicContact CD2-CG 4.12Å; L65-F82 HydrophobicContact CD2-CZ 3.59Å; L65-F82 HydrophobicContact CG-CD1 3.86Å; L65-F82 HydrophobicContact CG-CD2 4.45Å; L65-F82 HydrophobicContact CG-CE1 3.93Å; L65-F82 HydrophobicContact CG-CE2 4.49Å; L65-F82 HydrophobicContact CG-CG 4.14Å; L65-F82 HydrophobicContact CG-CZ 4.26Å; F82-T84 WeakPolarHBondContact CB-O 3.46Å; F82-I86 HydrophobicContact CB-CG2 4.11Å; F82-I86 HydrophobicContact CD1-CB 4.33Å; F82-I86 HydrophobicContact CD1-CD1 4.36Å; F82-I86 HydrophobicContact CD1-CG2 3.73Å; F82-I86 HydrophobicContact CD2-CG2 4.03Å; F82-I86 HydrophobicContact CE1-CD1 3.77Å; F82-I86 HydrophobicContact CE1-CG2 4.11Å; F82-I86 HydrophobicContact CE2-CG2 4.4Å; F82-I86 HydrophobicContact CG-CG2 3.68Å; F82-I86 HydrophobicContact CZ-CD1 4.03Å; F82-I86 HydrophobicContact CZ-CG2 4.43Å; F82-I91 HydrophobicContact CD2-CD1 3.85Å; F82-I91 HydrophobicContact CD2-CG1 4.28Å; F82-I91 HydrophobicContact CD2-CG2 4.03Å; F82-I91 HydrophobicContact CE2-CD1 3.53Å; F82-I91 HydrophobicContact CE2-CG1 4.06Å; F82-G96 PolarHBondContact N-O 3.49Å; F82-V98 HydrophobicContact CD2-CG2 4.16Å; F82-V98 HydrophobicContact CE2-CG2 4.16Å; F82-L122 HydrophobicContact CE2-CD1 4.28Å; F82-L122 HydrophobicContact CZ-CD1 4.41Å; F82-M126 HydrophobicContact CE1-CE 3.98Å; F82-M126 HydrophobicContact CZ-CE 4Å; F82-Y143 HydrophobicContact CB-CD2 4.4Å; F82-Y143 HydrophobicContact CB-CE2 3.96Å; F82-Y143 VanDerWaalsContact O-CD2 3.31Å; F82-Y143 WeakPolarHBondContact O-CD2 3.36Å |
| 83 | V | 98.3 | Very high | 97.8 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -89.8 | -49.3 | 165 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | S64 K66 T142 Y143 | S64-V83 WeakPolarHBondContact O-CB 3.17Å; S64-V83 PolarHBondContact O-N 3.28Å; K66-V83 HydrophobicContact CG-CG2 3.68Å; V83-T142 HydrophobicContact CG1-CG2 4.05Å; V83-T142 CarbonylContact O-C 3.59Å; V83-T142 WeakPolarHBondContact O-CA 3.35Å; V83-T142 WeakPolarHBondContact O-CB 3.21Å; V83-Y143 PolarHBondContact O-N 3.07Å |
| 84 | T | 98.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 131.5 | 174.3 | -50.7 | 0 | 0 | 0 | 0 | 110.2 | Y63 S64 F82 I86 Y143 | Y63-T84 HydrophobicContact CD1-CG2 3.93Å; Y63-T84 HydrophobicContact CE1-CG2 4.32Å; S64-T84 PolarHBondContact N-OG1 3Å; S64-T84 PolarHBondContact O-N 2.79Å; F82-T84 WeakPolarHBondContact CB-O 3.46Å; T84-I86 PolarHBondContact O-N 2.88Å; T84-Y143 WeakPolarHBondContact O-CE2 3.43Å |
| 85 | K | 98.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | trans | -61.8 | 134.9 | 176.6 | -68.3 | -162.5 | -170.9 | 167.9 | 0 | 111.3 | P137 Q141 T142 Y143 | K85-P137 HydrophobicContact CB-CB 4.21Å; K85-P137 HydrophobicContact CB-CG 3.68Å; K85-P137 WeakPolarHBondContact O-CG 3.4Å; K85-Q141 HydrophobicContact CB-CB 4.1Å; K85-Q141 HydrophobicContact CD-CB 3.83Å; K85-Q141 HydrophobicContact CG-CB 3.95Å; K85-Q141 PolarHBondContact N-O 3.07Å; K85-T142 WeakPolarHBondContact CE-O 3.47Å; K85-Y143 VanDerWaalsContact CA-CE2 3.48Å; K85-Y143 HydrophobicContact CB-CE1 4.47Å; K85-Y143 HydrophobicContact CB-CE2 4.3Å; K85-Y143 HydrophobicContact CD-CE1 4.36Å; K85-Y143 HydrophobicContact CG-CD1 4Å; K85-Y143 HydrophobicContact CG-CD2 4.24Å; K85-Y143 HydrophobicContact CG-CE1 3.89Å; K85-Y143 HydrophobicContact CG-CE2 4.16Å; K85-Y143 HydrophobicContact CG-CG 4.17Å | ||
| 86 | I | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -142.7 | 143.5 | -178.2 | -170.9 | 173.3 | 0 | 0 | 0 | 109.8 | Y58 Y63 F82 T84 M88 I91 M126 Y143 | Y58-I86 HydrophobicContact CD1-CD1 4Å; Y58-I86 HydrophobicContact CD1-CG1 4.11Å; Y58-I86 HydrophobicContact CE1-CD1 3.75Å; Y58-I86 HydrophobicContact CE1-CG1 3.67Å; Y63-I86 HydrophobicContact CD1-CB 4.13Å; Y63-I86 HydrophobicContact CD1-CD1 4.01Å; Y63-I86 HydrophobicContact CD1-CG1 4.28Å; Y63-I86 HydrophobicContact CE1-CB 3.9Å; Y63-I86 HydrophobicContact CE1-CD1 3.86Å; Y63-I86 HydrophobicContact CE1-CG1 3.81Å; F82-I86 HydrophobicContact CB-CG2 4.11Å; F82-I86 HydrophobicContact CD1-CB 4.33Å; F82-I86 HydrophobicContact CD1-CD1 4.36Å; F82-I86 HydrophobicContact CD1-CG2 3.73Å; F82-I86 HydrophobicContact CD2-CG2 4.03Å; F82-I86 HydrophobicContact CE1-CD1 3.77Å; F82-I86 HydrophobicContact CE1-CG2 4.11Å; F82-I86 HydrophobicContact CE2-CG2 4.4Å; F82-I86 HydrophobicContact CG-CG2 3.68Å; F82-I86 HydrophobicContact CZ-CD1 4.03Å; F82-I86 HydrophobicContact CZ-CG2 4.43Å; T84-I86 PolarHBondContact O-N 2.88Å; I86-M88 HydrophobicContact CD1-CB 3.99Å; I86-M88 HydrophobicContact CD1-SD 4.02Å; I86-M88 HydrophobicContact CG1-CB 4.02Å; I86-I91 HydrophobicContact CG2-CB 4.42Å; I86-I91 HydrophobicContact CG2-CG1 4.39Å; I86-I91 HydrophobicContact CG2-CG2 3.9Å; I86-M126 HydrophobicContact CD1-CE 3.64Å; I86-Y143 PolarHBondContact N-OH 3.09Å; I86-Y143 VanDerWaalsContact N-OH 3.16Å; I86-Y143 PolarHBondContact O-OH 3.46Å; I86-Y143 VanDerWaalsContact O-OH 3.04Å | ||
| 87 | S | 98.2 | Very high | 97.6 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | -103.1 | 107 | 165.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | Y58 P135 Q136 | Y58-S87 WeakPolarHBondContact CE1-O 3.5Å; Y58-S87 PolarHBondContact OH-O 3.34Å; S87-P135 VanDerWaalsContact CB-O 3.26Å; S87-P135 WeakPolarHBondContact CB-O 3.41Å; S87-Q136 PolarHBondContact O-NE2 2.86Å | ||
| 88 | M | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | trans | -154.9 | 139.2 | -176.4 | 179.7 | 179.5 | 172.5 | 0 | 0 | 110.1 | I86 G90 I91 L122 L125 M126 N131 | I86-M88 HydrophobicContact CD1-CB 3.99Å; I86-M88 HydrophobicContact CD1-SD 4.02Å; I86-M88 HydrophobicContact CG1-CB 4.02Å; M88-G90 PolarHBondContact O-N 2.93Å; M88-I91 HydrophobicContact CB-CG1 3.84Å; M88-I91 HydrophobicContact CG-CG1 4.11Å; M88-I91 WeakPolarHBondContact O-CB 3.36Å; M88-I91 PolarHBondContact O-N 2.9Å; M88-I91 VanDerWaalsContact O-N 3.14Å; M88-I91 HydrophobicContact SD-CG1 4.26Å; M88-L122 HydrophobicContact CE-CD2 4.44Å; M88-L122 WeakPolarHBondContact CE-O 3.49Å; M88-L125 HydrophobicContact CE-CB 3.29Å; M88-L125 HydrophobicContact CE-CD1 4.33Å; M88-L125 HydrophobicContact CE-CG 4.46Å; M88-M126 HydrophobicContact CE-CG 4.31Å; M88-M126 HydrophobicContact SD-CE 4.47Å; M88-M126 HydrophobicContact SD-CG 3.86Å; M88-N131 HydrophobicContact CG-CB 4.5Å | ||
| 89 | N | 97.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 136.7 | 176.1 | -72.3 | -16.1 | 0 | 0 | 0 | 111 | I91 E130 N131 | N89-I91 VanDerWaalsContact C-N 3.31Å; N89-E130 PolarHBondContact ND2-OE2 2.8Å; N89-N131 WeakPolarHBondContact CB-OD1 3.28Å; N89-N131 PolarHBondContact N-OD1 3.06Å |
| 90 | G | 97.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 1.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M88 D99 S102 | M88-G90 PolarHBondContact O-N 2.93Å; G90-D99 PolarHBondContact O-N 3.14Å; G90-S102 VanDerWaalsContact CA-CB 3.46Å |
| 91 | I | 98.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -108.9 | 132.9 | 173.9 | -46.7 | -57.5 | 0 | 0 | 0 | 109.7 | F82 I86 M88 N89 N93 V98 | F82-I91 HydrophobicContact CD2-CD1 3.85Å; F82-I91 HydrophobicContact CD2-CG1 4.28Å; F82-I91 HydrophobicContact CD2-CG2 4.03Å; F82-I91 HydrophobicContact CE2-CD1 3.53Å; F82-I91 HydrophobicContact CE2-CG1 4.06Å; I86-I91 HydrophobicContact CG2-CB 4.42Å; I86-I91 HydrophobicContact CG2-CG1 4.39Å; I86-I91 HydrophobicContact CG2-CG2 3.9Å; M88-I91 HydrophobicContact CB-CG1 3.84Å; M88-I91 HydrophobicContact CG-CG1 4.11Å; M88-I91 WeakPolarHBondContact O-CB 3.36Å; M88-I91 PolarHBondContact O-N 2.9Å; M88-I91 VanDerWaalsContact O-N 3.14Å; M88-I91 HydrophobicContact SD-CG1 4.26Å; N89-I91 VanDerWaalsContact C-N 3.31Å; I91-N93 PolarHBondContact O-N 3.42Å; I91-V98 HydrophobicContact CD1-CB 4.13Å; I91-V98 HydrophobicContact CD1-CG1 4.1Å; I91-V98 HydrophobicContact CD1-CG2 3.63Å |
| 92 | N | 97.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | trans | -72.6 | 118.7 | 174.6 | -178.7 | -52.5 | 0 | 0 | 0 | 110.3 | S94 N95 G96 T97 | N92-S94 PolarHBondContact O-N 2.99Å; N92-S94 VanDerWaalsContact O-N 3.16Å; N92-S94 WeakPolarHBondContact OD1-CA 3.25Å; N92-S94 WeakPolarHBondContact OD1-CB 3.46Å; N92-S94 PolarHBondContact OD1-N 3.32Å; N92-N95 WeakPolarHBondContact CB-OD1 3.47Å; N92-N95 PolarHBondContact O-N 3.48Å; N92-N95 PolarHBondContact OD1-N 3.1Å; N92-N95 PolarHBondContact OD1-OD1 3.13Å; N92-G96 WeakPolarHBondContact O-CA 3.31Å; N92-G96 PolarHBondContact O-N 3.12Å; N92-T97 PolarHBondContact N-O 2.94Å | ||
| 93 | N | 94.2 | Very high | 97.1 | Very high | 110 Ų | 110 | 51.5 Ų | 51.5 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.8 | -175.8 | -73.1 | -22.2 | 0 | 0 | 0 | 115 | I91 Y143 | I91-N93 PolarHBondContact O-N 3.42Å; N93-Y143 WeakPolarHBondContact O-CE1 3.25Å |
| 94 | S | 94.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 53 Ų | 53 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -32.3 | -179.5 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | N92 Y143 | N92-S94 PolarHBondContact O-N 2.99Å; N92-S94 VanDerWaalsContact O-N 3.16Å; N92-S94 WeakPolarHBondContact OD1-CA 3.25Å; N92-S94 WeakPolarHBondContact OD1-CB 3.46Å; N92-S94 PolarHBondContact OD1-N 3.32Å; S94-Y143 WeakPolarHBondContact O-CD1 3.46Å |
| 95 | N | 96.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -1.4 | -173 | 68.3 | 7.8 | 0 | 0 | 0 | 115.2 | N92 T97 | N92-N95 WeakPolarHBondContact CB-OD1 3.47Å; N92-N95 PolarHBondContact O-N 3.48Å; N92-N95 PolarHBondContact OD1-N 3.1Å; N92-N95 PolarHBondContact OD1-OD1 3.13Å; N95-T97 PolarHBondContact ND2-OG1 3.43Å; N95-T97 PolarHBondContact O-N 2.94Å; N95-T97 WeakPolarHBondContact OD1-CB 3.38Å; N95-T97 PolarHBondContact OD1-N 2.84Å; N95-T97 PolarHBondContact OD1-OG1 3.09Å; N95-T97 VanDerWaalsContact OD1-OG1 3.09Å |
| 96 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 75.4 | 2.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R81 F82 N92 V98 | R81-G96 CarbonylContact C-O 3.58Å; R81-G96 VanDerWaalsContact CA-O 3.3Å; R81-G96 WeakPolarHBondContact CA-O 3.34Å; F82-G96 PolarHBondContact N-O 3.49Å; N92-G96 WeakPolarHBondContact O-CA 3.31Å; N92-G96 PolarHBondContact O-N 3.12Å; G96-V98 PolarHBondContact O-N 3.41Å | ||
| 97 | T | 98 | Very high | 96.7 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 133.2 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | N92 N95 | N92-T97 PolarHBondContact N-O 2.94Å; N95-T97 PolarHBondContact ND2-OG1 3.43Å; N95-T97 PolarHBondContact O-N 2.94Å; N95-T97 WeakPolarHBondContact OD1-CB 3.38Å; N95-T97 PolarHBondContact OD1-N 2.84Å; N95-T97 PolarHBondContact OD1-OG1 3.09Å; N95-T97 VanDerWaalsContact OD1-OG1 3.09Å |
| 98 | V | 98.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 122.3 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 109 | V80 F82 I91 G96 S100 I103 L106 L122 | V80-V98 HydrophobicContact CB-CB 4.06Å; V80-V98 HydrophobicContact CB-CG2 3.7Å; V80-V98 HydrophobicContact CG1-CG2 3.64Å; V80-V98 WeakPolarHBondContact O-CB 3.44Å; V80-V98 WeakPolarHBondContact O-CG2 3.38Å; V80-V98 PolarHBondContact O-N 3.16Å; F82-V98 HydrophobicContact CD2-CG2 4.16Å; F82-V98 HydrophobicContact CE2-CG2 4.16Å; I91-V98 HydrophobicContact CD1-CB 4.13Å; I91-V98 HydrophobicContact CD1-CG1 4.1Å; I91-V98 HydrophobicContact CD1-CG2 3.63Å; G96-V98 PolarHBondContact O-N 3.41Å; V98-S100 PolarHBondContact O-N 2.78Å; V98-I103 HydrophobicContact CG1-CB 4.4Å; V98-I103 HydrophobicContact CG1-CD1 4.21Å; V98-I103 HydrophobicContact CG1-CG1 3.32Å; V98-L106 HydrophobicContact CG1-CD1 3.75Å; V98-L122 HydrophobicContact CG1-CD2 4.42Å |
| 99 | D | 97.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | trans | -73.6 | 110.6 | 170.8 | -172.2 | -10.2 | 0 | 0 | 0 | 109.3 | G90 R101 S102 I103 | G90-D99 PolarHBondContact O-N 3.14Å; D99-R101 PolarHBondContact O-N 3.46Å; D99-R101 VanDerWaalsContact O-N 3.1Å; D99-R101 WeakPolarHBondContact OD1-CB 3.32Å; D99-R101 PolarHBondContact OD1-N 2.95Å; D99-R101 IonicContact OD1-NE 3.53Å; D99-R101 PolarHBondContact OD1-NE 3.44Å; D99-R101 IonicContact OD1-NH2 3.75Å; D99-R101 IonicContact OD2-NE 2.74Å; D99-R101 IonicContact OD2-NH2 2.65Å; D99-S102 PolarHBondContact O-N 2.93Å; D99-I103 PolarHBondContact O-N 3.44Å | ||
| 100 | S | 94.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.1 | -179.6 | 58.6 | 0 | 0 | 0 | 0 | 113 | V98 L106 A107 | V98-S100 PolarHBondContact O-N 2.78Å; S100-L106 CarbonylContact O-C 3.6Å; S100-L106 WeakPolarHBondContact O-CB 3.5Å; S100-A107 WeakPolarHBondContact O-CA 3.47Å; S100-A107 WeakPolarHBondContact O-CB 3.26Å; S100-A107 PolarHBondContact O-N 3.46Å |
| 101 | R | 95.9 | Very high | 96.4 | Very high | 199 Ų | 199 | 64.4 Ų | 64.4 | 75% | 0.751 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -26.9 | 178.2 | -64.5 | 172.9 | -70.8 | -178.4 | -1.6 | 112.8 | D99 | D99-R101 PolarHBondContact O-N 3.46Å; D99-R101 VanDerWaalsContact O-N 3.1Å; D99-R101 WeakPolarHBondContact OD1-CB 3.32Å; D99-R101 PolarHBondContact OD1-N 2.95Å; D99-R101 IonicContact OD1-NE 3.53Å; D99-R101 PolarHBondContact OD1-NE 3.44Å; D99-R101 IonicContact OD1-NH2 3.75Å; D99-R101 IonicContact OD2-NE 2.74Å; D99-R101 IonicContact OD2-NH2 2.65Å |
| 102 | S | 95.6 | Very high | 96.3 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -22.9 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | G90 D99 | G90-S102 VanDerWaalsContact CA-CB 3.46Å; D99-S102 PolarHBondContact O-N 2.93Å |
| 103 | I | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -97.6 | 115.2 | 179.4 | -54 | -52.5 | 0 | 0 | 0 | 110 | V98 D99 I105 L106 A107 E121 L122 L125 | V98-I103 HydrophobicContact CG1-CB 4.4Å; V98-I103 HydrophobicContact CG1-CD1 4.21Å; V98-I103 HydrophobicContact CG1-CG1 3.32Å; D99-I103 PolarHBondContact O-N 3.44Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 HydrophobicContact CG2-CG1 3.9Å; I103-I105 PolarHBondContact O-N 2.98Å; I103-L106 HydrophobicContact CB-CB 4.22Å; I103-L106 HydrophobicContact CB-CD1 3.94Å; I103-L106 HydrophobicContact CB-CG 4.07Å; I103-L106 HydrophobicContact CG1-CD1 4.25Å; I103-L106 HydrophobicContact CG2-CB 4.49Å; I103-L106 HydrophobicContact CG2-CD1 4.15Å; I103-L106 HydrophobicContact CG2-CG 3.99Å; I103-L106 PolarHBondContact O-N 3.17Å; I103-A107 PolarHBondContact O-N 3.24Å; I103-E121 HydrophobicContact CG2-CG 4.41Å; I103-L122 HydrophobicContact CD1-CD2 4.02Å; I103-L122 HydrophobicContact CG1-CD2 4.24Å; I103-L122 HydrophobicContact CG2-CD2 4.47Å; I103-L125 HydrophobicContact CD1-CD1 3.69Å; I103-L125 HydrophobicContact CG2-CD1 4.18Å |
| 104 | P | 94.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.1 | -42.8 | -169.9 | -30 | 36.2 | 0 | 0 | 0 | 115.2 | L106 A107 K108 | P104-L106 VanDerWaalsContact C-N 3.31Å; P104-L106 PolarHBondContact O-N 2.96Å; P104-A107 PolarHBondContact O-N 3.43Å; P104-K108 PolarHBondContact O-N 3.46Å |
| 105 | I | 96.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.6 | -25.3 | -179 | 63.6 | 167.8 | 0 | 0 | 0 | 113 | I103 W109 Y113 I117 V118 E121 | I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 HydrophobicContact CG2-CG1 3.9Å; I103-I105 PolarHBondContact O-N 2.98Å; I105-W109 WeakPolarHBondContact O-CA 3.47Å; I105-W109 PolarHBondContact O-N 3.03Å; I105-Y113 HydrophobicContact CB-CD2 4.27Å; I105-Y113 HydrophobicContact CB-CE2 4.09Å; I105-Y113 HydrophobicContact CG2-CE2 4.35Å; I105-I117 HydrophobicContact CD1-CG2 4.18Å; I105-V118 VanDerWaalsContact CD1-CA 3.47Å; I105-V118 HydrophobicContact CD1-CB 4.22Å; I105-V118 HydrophobicContact CD1-CG2 3.95Å; I105-E121 HydrophobicContact CB-CG 4.5Å; I105-E121 HydrophobicContact CD1-CB 3.42Å; I105-E121 VanDerWaalsContact CD1-CB 3.42Å; I105-E121 HydrophobicContact CD1-CG 3.8Å; I105-E121 HydrophobicContact CG1-CB 4.08Å; I105-E121 HydrophobicContact CG1-CG 3.87Å; I105-E121 HydrophobicContact CG2-CB 4.28Å; I105-E121 HydrophobicContact CG2-CG 3.89Å |
| 106 | L | 96.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.9 | -38.5 | 176.4 | -61.7 | -178.8 | 0 | 0 | 0 | 109.6 | A77 V98 S100 I103 P104 K108 W109 V118 | A77-L106 HydrophobicContact CB-CD2 4.12Å; V98-L106 HydrophobicContact CG1-CD1 3.75Å; S100-L106 CarbonylContact O-C 3.6Å; S100-L106 WeakPolarHBondContact O-CB 3.5Å; I103-L106 HydrophobicContact CB-CB 4.22Å; I103-L106 HydrophobicContact CB-CD1 3.94Å; I103-L106 HydrophobicContact CB-CG 4.07Å; I103-L106 HydrophobicContact CG1-CD1 4.25Å; I103-L106 HydrophobicContact CG2-CB 4.49Å; I103-L106 HydrophobicContact CG2-CD1 4.15Å; I103-L106 HydrophobicContact CG2-CG 3.99Å; I103-L106 PolarHBondContact O-N 3.17Å; P104-L106 VanDerWaalsContact C-N 3.31Å; P104-L106 PolarHBondContact O-N 2.96Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.21Å; L106-W109 HydrophobicContact CD2-CE3 4.33Å; L106-W109 HydrophobicContact CD2-CZ3 4.45Å; L106-V118 HydrophobicContact CD2-CG2 4.04Å |
| 107 | A | 96.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S100 I103 P104 | S100-A107 WeakPolarHBondContact O-CA 3.47Å; S100-A107 WeakPolarHBondContact O-CB 3.26Å; S100-A107 PolarHBondContact O-N 3.46Å; I103-A107 PolarHBondContact O-N 3.24Å; P104-A107 PolarHBondContact O-N 3.43Å |
| 108 | K | 96.6 | Very high | 96.7 | Very high | 163 Ų | 163 | 55.8 Ų | 55.8 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 43.8 | -179.5 | -61.5 | -176.6 | -179.6 | 179.5 | 0 | 111.6 | P104 L106 Q110 | P104-K108 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.21Å; K108-Q110 PolarHBondContact O-N 3.41Å; K108-Q110 PolarHBondContact O-NE2 2.97Å |
| 109 | W | 97.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | trans | -52.6 | 135.8 | -176.3 | -177.3 | -100.8 | 0 | 0 | 0 | 113 | Y73 P74 A77 P78 I105 L106 Y113 V118 | Y73-W109 HydrophobicContact CD2-CZ2 4.37Å; Y73-W109 HydrophobicContact CE2-CH2 4.05Å; Y73-W109 AromaticContact CE2-CZ2 3.76Å; Y73-W109 HydrophobicContact CE2-CZ2 3.76Å; P74-W109 PolarHBondContact O-NE1 3.24Å; A77-W109 VanDerWaalsContact CA-CD2 3.48Å; A77-W109 HydrophobicContact CB-CB 3.9Å; A77-W109 HydrophobicContact CB-CD2 3.6Å; A77-W109 HydrophobicContact CB-CE3 3.79Å; A77-W109 HydrophobicContact CB-CG 3.63Å; A77-W109 VanDerWaalsContact N-CD1 3.3Å; P78-W109 HydrophobicContact CG-CH2 4.43Å; I105-W109 WeakPolarHBondContact O-CA 3.47Å; I105-W109 PolarHBondContact O-N 3.03Å; L106-W109 HydrophobicContact CD2-CE3 4.33Å; L106-W109 HydrophobicContact CD2-CZ3 4.45Å; W109-Y113 HydrophobicContact CD2-CD2 4.3Å; W109-Y113 AromaticContact CE3-CD2 3.82Å; W109-Y113 HydrophobicContact CE3-CD2 3.82Å; W109-Y113 HydrophobicContact CE3-CG 4.39Å; W109-Y113 VanDerWaalsContact CZ3-CB 3.41Å; W109-Y113 HydrophobicContact CZ3-CD2 4.11Å; W109-Y113 HydrophobicContact CZ3-CG 4.28Å; W109-V118 HydrophobicContact CH2-CG2 4.35Å; W109-V118 HydrophobicContact CZ3-CG2 3.79Å | ||
| 110 | Q | 96.6 | Very high | 96.7 | Very high | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | trans | -120.2 | 142.6 | 172.4 | -58 | -59 | -54.8 | 0 | 0 | 108.2 | K108 S112 Y113 | K108-Q110 PolarHBondContact O-N 3.41Å; K108-Q110 PolarHBondContact O-NE2 2.97Å; Q110-S112 PolarHBondContact O-N 3.46Å; Q110-S112 VanDerWaalsContact O-N 3.09Å; Q110-Y113 HydrophobicContact CB-CD1 4.33Å; Q110-Y113 HydrophobicContact CB-CD2 4.07Å; Q110-Y113 HydrophobicContact CB-CE1 4.25Å; Q110-Y113 HydrophobicContact CB-CE2 3.96Å; Q110-Y113 HydrophobicContact CB-CG 4.25Å; Q110-Y113 HydrophobicContact CG-CE1 4.46Å; Q110-Y113 HydrophobicContact CG-CE2 3.92Å; Q110-Y113 VanDerWaalsContact O-CB 3.28Å; Q110-Y113 WeakPolarHBondContact O-CB 3.16Å; Q110-Y113 PolarHBondContact O-N 3.36Å | ||
| 111 | N | 94.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -6.7 | -179.9 | 64.6 | 16.5 | 0 | 0 | 0 | 114.7 | R14 P74 E75 Y113 | R14-N111 PolarHBondContact NH1-O 2.97Å; P74-N111 HydrophobicContact CG-CB 4.48Å; P74-N111 VanDerWaalsContact O-CA 3.23Å; P74-N111 WeakPolarHBondContact O-CA 3.44Å; P74-N111 WeakPolarHBondContact O-CB 3.38Å; E75-N111 PolarHBondContact OE2-ND2 2.99Å; N111-Y113 VanDerWaalsContact C-N 3.31Å |
| 112 | S | 95.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 54% | 0.538 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -10.7 | 167.3 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | Q110 | Q110-S112 PolarHBondContact O-N 3.46Å; Q110-S112 VanDerWaalsContact O-N 3.09Å |
| 113 | Y | 97.9 | Very high | 97 | Very high | 65 Ų | 65 | 45 Ų | 45 | 26% | 0.255 | 23% | 0.231 | S | C | . | . | trans | -79.5 | 159.3 | 175.2 | -61.8 | -19.4 | 0 | 0 | 0 | 112 | I105 W109 Q110 N111 I117 | I105-Y113 HydrophobicContact CB-CD2 4.27Å; I105-Y113 HydrophobicContact CB-CE2 4.09Å; I105-Y113 HydrophobicContact CG2-CE2 4.35Å; W109-Y113 HydrophobicContact CD2-CD2 4.3Å; W109-Y113 AromaticContact CE3-CD2 3.82Å; W109-Y113 HydrophobicContact CE3-CD2 3.82Å; W109-Y113 HydrophobicContact CE3-CG 4.39Å; W109-Y113 VanDerWaalsContact CZ3-CB 3.41Å; W109-Y113 HydrophobicContact CZ3-CD2 4.11Å; W109-Y113 HydrophobicContact CZ3-CG 4.28Å; Q110-Y113 HydrophobicContact CB-CD1 4.33Å; Q110-Y113 HydrophobicContact CB-CD2 4.07Å; Q110-Y113 HydrophobicContact CB-CE1 4.25Å; Q110-Y113 HydrophobicContact CB-CE2 3.96Å; Q110-Y113 HydrophobicContact CB-CG 4.25Å; Q110-Y113 HydrophobicContact CG-CE1 4.46Å; Q110-Y113 HydrophobicContact CG-CE2 3.92Å; Q110-Y113 VanDerWaalsContact O-CB 3.28Å; Q110-Y113 WeakPolarHBondContact O-CB 3.16Å; Q110-Y113 PolarHBondContact O-N 3.36Å; N111-Y113 VanDerWaalsContact C-N 3.31Å; Y113-I117 HydrophobicContact CD1-CD1 3.93Å; Y113-I117 HydrophobicContact CD1-CG2 4.12Å; Y113-I117 HydrophobicContact CG-CG2 4.17Å | ||
| 114 | S | 97.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | trans | -139.4 | 170.4 | -173.4 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | E18 Y73 K116 I117 V118 | E18-S114 WeakPolarHBondContact OE2-CB 3.44Å; Y73-S114 WeakPolarHBondContact OH-CA 3.45Å; S114-K116 PolarHBondContact O-N 2.89Å; S114-I117 PolarHBondContact O-N 3.48Å; S114-I117 VanDerWaalsContact O-N 3.12Å; S114-I117 PolarHBondContact OG-N 3.18Å; S114-V118 WeakPolarHBondContact O-CG2 3.42Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.1Å | ||
| 115 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.4 | -42.9 | 173.1 | -62.4 | 169.5 | 0 | 0 | 0 | 110.2 | E18 W33 W46 V67 Y73 I117 V118 L119 | E18-I115 WeakPolarHBondContact OE2-CB 3.42Å; E18-I115 VanDerWaalsContact OE2-CG1 3.29Å; E18-I115 WeakPolarHBondContact OE2-CG1 3.4Å; E18-I115 PolarHBondContact OE2-N 2.75Å; W33-I115 HydrophobicContact CB-CG2 3.74Å; W33-I115 HydrophobicContact CD2-CG2 4.45Å; W33-I115 HydrophobicContact CG-CB 4.37Å; W33-I115 HydrophobicContact CG-CG2 3.78Å; W46-I115 HydrophobicContact CB-CD1 4.24Å; W46-I115 HydrophobicContact CD2-CD1 3.39Å; W46-I115 HydrophobicContact CE3-CD1 3.71Å; W46-I115 HydrophobicContact CG-CD1 3.63Å; W46-I115 HydrophobicContact CH2-CD1 4.42Å; W46-I115 HydrophobicContact CZ2-CD1 4.21Å; W46-I115 HydrophobicContact CZ3-CD1 4.21Å; V67-I115 HydrophobicContact CG1-CG1 4.18Å; V67-I115 HydrophobicContact CG1-CG2 4.45Å; V67-I115 HydrophobicContact CG2-CG2 4.39Å; Y73-I115 PolarHBondContact OH-N 2.87Å; I115-I117 PolarHBondContact O-N 3.34Å; I115-V118 WeakPolarHBondContact O-CA 3.31Å; I115-V118 WeakPolarHBondContact O-CB 3.45Å; I115-V118 PolarHBondContact O-N 2.9Å; I115-V118 VanDerWaalsContact O-N 3.13Å; I115-L119 HydrophobicContact CG2-CD1 4.19Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.83Å |
| 116 | K | 96.7 | Very high | 97.3 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.8 | -53.5 | 174 | 178.4 | -173.6 | 175.1 | -178.2 | 0 | 112.3 | E26 W33 S114 V118 L119 Q120 | E26-K116 WeakPolarHBondContact OE2-CD 3.37Å; E26-K116 VanDerWaalsContact OE2-CE 3.25Å; E26-K116 WeakPolarHBondContact OE2-CE 3.37Å; E26-K116 IonicContact OE2-NZ 2.63Å; E26-K116 PolarHBondContact OE2-NZ 3.17Å; W33-K116 HydrophobicContact CE3-CB 4.21Å; W33-K116 HydrophobicContact CH2-CB 3.51Å; W33-K116 HydrophobicContact CH2-CD 3.76Å; W33-K116 HydrophobicContact CH2-CG 3.61Å; W33-K116 HydrophobicContact CZ2-CB 3.85Å; W33-K116 HydrophobicContact CZ2-CD 4.49Å; W33-K116 HydrophobicContact CZ2-CG 4.41Å; W33-K116 HydrophobicContact CZ3-CB 3.69Å; W33-K116 HydrophobicContact CZ3-CD 4.33Å; W33-K116 HydrophobicContact CZ3-CG 3.71Å; S114-K116 PolarHBondContact O-N 2.89Å; K116-V118 PolarHBondContact O-N 3.3Å; K116-L119 PolarHBondContact O-N 3.08Å; K116-Q120 HydrophobicContact CG-CG 4.37Å; K116-Q120 WeakPolarHBondContact O-CB 3.47Å; K116-Q120 VanDerWaalsContact O-CG 3.31Å; K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 3.31Å |
| 117 | I | 97.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.2 | -36.4 | -178.2 | -71.7 | 167.3 | 0 | 0 | 0 | 110.3 | I105 Y113 S114 I115 E121 | I105-I117 HydrophobicContact CD1-CG2 4.18Å; Y113-I117 HydrophobicContact CD1-CD1 3.93Å; Y113-I117 HydrophobicContact CD1-CG2 4.12Å; Y113-I117 HydrophobicContact CG-CG2 4.17Å; S114-I117 PolarHBondContact O-N 3.48Å; S114-I117 VanDerWaalsContact O-N 3.12Å; S114-I117 PolarHBondContact OG-N 3.18Å; I115-I117 PolarHBondContact O-N 3.34Å; I117-E121 WeakPolarHBondContact O-CB 3.34Å; I117-E121 PolarHBondContact O-N 2.6Å |
| 118 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | P78 V80 I105 L106 W109 S114 I115 K116 Q120 E121 L122 | P78-V118 HydrophobicContact CG-CG2 4.25Å; V80-V118 HydrophobicContact CG2-CG1 3.79Å; I105-V118 VanDerWaalsContact CD1-CA 3.47Å; I105-V118 HydrophobicContact CD1-CB 4.22Å; I105-V118 HydrophobicContact CD1-CG2 3.95Å; L106-V118 HydrophobicContact CD2-CG2 4.04Å; W109-V118 HydrophobicContact CH2-CG2 4.35Å; W109-V118 HydrophobicContact CZ3-CG2 3.79Å; S114-V118 WeakPolarHBondContact O-CG2 3.42Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.1Å; I115-V118 WeakPolarHBondContact O-CA 3.31Å; I115-V118 WeakPolarHBondContact O-CB 3.45Å; I115-V118 PolarHBondContact O-N 2.9Å; I115-V118 VanDerWaalsContact O-N 3.13Å; K116-V118 PolarHBondContact O-N 3.3Å; V118-Q120 PolarHBondContact O-N 3.44Å; V118-E121 PolarHBondContact O-N 2.99Å; V118-L122 HydrophobicContact CG1-CD1 4.2Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 2.87Å |
| 119 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | -179.3 | -62.5 | 177.6 | 0 | 0 | 0 | 112 | V31 S32 W33 I50 L65 I115 K116 L122 R123 | V31-L119 HydrophobicContact CB-CB 3.98Å; V31-L119 HydrophobicContact CG1-CB 4.08Å; V31-L119 HydrophobicContact CG2-CB 4.42Å; S32-L119 VanDerWaalsContact O-CD1 3.25Å; S32-L119 WeakPolarHBondContact O-CD1 3.45Å; W33-L119 HydrophobicContact CB-CD1 3.91Å; W33-L119 HydrophobicContact CE3-CD1 4.21Å; I50-L119 HydrophobicContact CD1-CB 4.47Å; I50-L119 HydrophobicContact CD1-CD2 4.17Å; I50-L119 HydrophobicContact CG1-CB 4.32Å; I50-L119 HydrophobicContact CG1-CD2 4.18Å; L65-L119 HydrophobicContact CD1-CD2 4.18Å; L65-L119 HydrophobicContact CD2-CD2 4.25Å; I115-L119 HydrophobicContact CG2-CD1 4.19Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CG 3.25Å; I115-L119 PolarHBondContact O-N 2.83Å; K116-L119 PolarHBondContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 3.02Å; L119-R123 WeakPolarHBondContact O-CB 3.5Å; L119-R123 PolarHBondContact O-N 2.91Å |
| 120 | Q | 97.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.8 | -72.7 | -177 | -27 | 0 | 0 | 112 | V31 K116 V118 R123 R124 | V31-Q120 HydrophobicContact CG2-CG 3.88Å; K116-Q120 HydrophobicContact CG-CG 4.37Å; K116-Q120 WeakPolarHBondContact O-CB 3.47Å; K116-Q120 VanDerWaalsContact O-CG 3.31Å; K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 3.31Å; V118-Q120 PolarHBondContact O-N 3.44Å; Q120-R123 PolarHBondContact O-N 3.09Å; Q120-R124 WeakPolarHBondContact O-CB 3.4Å; Q120-R124 PolarHBondContact O-N 3.22Å |
| 121 | E | 97.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 178.5 | 179.9 | 64.5 | -179.9 | 0 | 0 | 112 | I103 I105 I117 V118 R123 R124 L125 | I103-E121 HydrophobicContact CG2-CG 4.41Å; I105-E121 HydrophobicContact CB-CG 4.5Å; I105-E121 HydrophobicContact CD1-CB 3.42Å; I105-E121 VanDerWaalsContact CD1-CB 3.42Å; I105-E121 HydrophobicContact CD1-CG 3.8Å; I105-E121 HydrophobicContact CG1-CB 4.08Å; I105-E121 HydrophobicContact CG1-CG 3.87Å; I105-E121 HydrophobicContact CG2-CB 4.28Å; I105-E121 HydrophobicContact CG2-CG 3.89Å; I117-E121 WeakPolarHBondContact O-CB 3.34Å; I117-E121 PolarHBondContact O-N 2.6Å; V118-E121 PolarHBondContact O-N 2.99Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 2.91Å; E121-R124 WeakPolarHBondContact O-CB 3.42Å; E121-R124 PolarHBondContact O-N 2.67Å; E121-R124 VanDerWaalsContact O-N 3.14Å; E121-R124 IonicContact OE1-CZ 3.53Å; E121-R124 IonicContact OE1-NE 3.32Å; E121-R124 IonicContact OE1-NH2 3.93Å; E121-R124 PolarHBondContact OE1-NH2 3.31Å; E121-R124 IonicContact OE2-CZ 3.55Å; E121-R124 IonicContact OE2-NE 3.85Å; E121-R124 PolarHBondContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.62Å; E121-L125 HydrophobicContact CG-CD1 4.23Å; E121-L125 HydrophobicContact CG-CG 4.46Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 3.05Å |
| 122 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 174 | -71.9 | 174 | 0 | 0 | 0 | 110.8 | I50 L65 V80 F82 M88 V98 I103 V118 L119 R124 L125 M126 | I50-L122 HydrophobicContact CD1-CB 3.77Å; I50-L122 HydrophobicContact CD1-CD1 4.44Å; L65-L122 HydrophobicContact CD2-CD1 3.68Å; V80-L122 HydrophobicContact CG1-CD1 4.18Å; F82-L122 HydrophobicContact CE2-CD1 4.28Å; F82-L122 HydrophobicContact CZ-CD1 4.41Å; M88-L122 HydrophobicContact CE-CD2 4.44Å; M88-L122 WeakPolarHBondContact CE-O 3.49Å; V98-L122 HydrophobicContact CG1-CD2 4.42Å; I103-L122 HydrophobicContact CD1-CD2 4.02Å; I103-L122 HydrophobicContact CG1-CD2 4.24Å; I103-L122 HydrophobicContact CG2-CD2 4.47Å; V118-L122 HydrophobicContact CG1-CD1 4.2Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 2.87Å; L119-L122 PolarHBondContact O-N 3.02Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 2.87Å; L122-L125 PolarHBondContact O-N 3.29Å; L122-M126 WeakPolarHBondContact O-CG 3.27Å; L122-M126 PolarHBondContact O-N 3.05Å |
| 123 | R | 97.9 | Very high | 97.7 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 18% | 0.181 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.5 | -172.6 | 176.8 | 179.3 | -98.2 | 1.8 | 112.2 | T30 V31 I50 I51 L119 Q120 E121 L125 M126 | T30-R123 PolarHBondContact OG1-NE 2.74Å; T30-R123 PolarHBondContact OG1-NH1 2.91Å; V31-R123 HydrophobicContact CG1-CB 4.29Å; I50-R123 HydrophobicContact CG2-CB 3.79Å; I50-R123 HydrophobicContact CG2-CG 3.85Å; I51-R123 PolarHBondContact O-NE 2.81Å; I51-R123 VanDerWaalsContact O-NE 3.12Å; L119-R123 WeakPolarHBondContact O-CB 3.5Å; L119-R123 PolarHBondContact O-N 2.91Å; Q120-R123 PolarHBondContact O-N 3.09Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 2.91Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-L125 PolarHBondContact O-N 2.93Å; R123-M126 WeakPolarHBondContact O-CB 3.36Å; R123-M126 PolarHBondContact O-N 3.44Å |
| 124 | R | 97.7 | Very high | 97.7 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | 175.5 | -167.2 | -166.5 | 67.8 | 74.6 | 2.1 | 111.5 | Q120 E121 L122 M126 M127 | Q120-R124 WeakPolarHBondContact O-CB 3.4Å; Q120-R124 PolarHBondContact O-N 3.22Å; E121-R124 WeakPolarHBondContact O-CB 3.42Å; E121-R124 PolarHBondContact O-N 2.67Å; E121-R124 VanDerWaalsContact O-N 3.14Å; E121-R124 IonicContact OE1-CZ 3.53Å; E121-R124 IonicContact OE1-NE 3.32Å; E121-R124 IonicContact OE1-NH2 3.93Å; E121-R124 PolarHBondContact OE1-NH2 3.31Å; E121-R124 IonicContact OE2-CZ 3.55Å; E121-R124 IonicContact OE2-NE 3.85Å; E121-R124 PolarHBondContact OE2-NE 3.1Å; E121-R124 IonicContact OE2-NH2 3.62Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 2.87Å; R124-M126 VanDerWaalsContact C-N 3.3Å; R124-M126 PolarHBondContact O-N 3.49Å; R124-M127 HydrophobicContact CG-CE 4.35Å; R124-M127 WeakPolarHBondContact O-CB 3.33Å; R124-M127 PolarHBondContact O-N 3.21Å; R124-M127 VanDerWaalsContact O-N 3.07Å |
| 125 | L | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -27.2 | 178.5 | -71.1 | 173.6 | 0 | 0 | 0 | 112.8 | M88 I103 E121 L122 R123 M127 S128 N131 | M88-L125 HydrophobicContact CE-CB 3.29Å; M88-L125 HydrophobicContact CE-CD1 4.33Å; M88-L125 HydrophobicContact CE-CG 4.46Å; I103-L125 HydrophobicContact CD1-CD1 3.69Å; I103-L125 HydrophobicContact CG2-CD1 4.18Å; E121-L125 HydrophobicContact CG-CD1 4.23Å; E121-L125 HydrophobicContact CG-CG 4.46Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 WeakPolarHBondContact O-CG 3.46Å; E121-L125 PolarHBondContact O-N 3.05Å; L122-L125 PolarHBondContact O-N 3.29Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-L125 PolarHBondContact O-N 2.93Å; L125-M127 PolarHBondContact O-N 3.14Å; L125-S128 VanDerWaalsContact O-CB 3.27Å; L125-S128 WeakPolarHBondContact O-CB 3.44Å; L125-S128 PolarHBondContact O-N 2.71Å; L125-S128 VanDerWaalsContact O-N 3.1Å; L125-S128 PolarHBondContact O-OG 3.3Å; L125-N131 WeakPolarHBondContact O-CB 3.4Å; L125-N131 PolarHBondContact O-ND2 3.12Å |
| 126 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -28.2 | 169.4 | -68.3 | 178.3 | -170.2 | 0 | 0 | 112.5 | I50 P53 Y58 Y63 F82 I86 M88 L122 R123 R124 S128 M132 | I50-M126 HydrophobicContact CB-CE 4.46Å; I50-M126 HydrophobicContact CD1-CE 4.16Å; I50-M126 HydrophobicContact CG2-CE 3.94Å; I50-M126 HydrophobicContact CG2-SD 4.09Å; P53-M126 HydrophobicContact CG-CB 3.75Å; Y58-M126 HydrophobicContact CD1-CG 4.44Å; Y58-M126 HydrophobicContact CD1-SD 4.41Å; Y58-M126 HydrophobicContact CD2-CB 3.6Å; Y58-M126 HydrophobicContact CD2-CG 4.05Å; Y58-M126 HydrophobicContact CE2-CB 3.78Å; Y58-M126 HydrophobicContact CE2-CG 4.15Å; Y58-M126 VanDerWaalsContact CE2-O 3.27Å; Y58-M126 WeakPolarHBondContact CE2-O 3.43Å; Y58-M126 HydrophobicContact CG-CB 4.19Å; Y58-M126 HydrophobicContact CG-CG 4.21Å; Y58-M126 HydrophobicContact CG-SD 4.16Å; Y63-M126 HydrophobicContact CD2-CE 4.16Å; Y63-M126 HydrophobicContact CG-CE 4.37Å; F82-M126 HydrophobicContact CE1-CE 3.98Å; F82-M126 HydrophobicContact CZ-CE 4Å; I86-M126 HydrophobicContact CD1-CE 3.64Å; M88-M126 HydrophobicContact CE-CG 4.31Å; M88-M126 HydrophobicContact SD-CE 4.47Å; M88-M126 HydrophobicContact SD-CG 3.86Å; L122-M126 WeakPolarHBondContact O-CG 3.27Å; L122-M126 PolarHBondContact O-N 3.05Å; R123-M126 WeakPolarHBondContact O-CB 3.36Å; R123-M126 PolarHBondContact O-N 3.44Å; R124-M126 VanDerWaalsContact C-N 3.3Å; R124-M126 PolarHBondContact O-N 3.49Å; M126-S128 VanDerWaalsContact C-N 3.34Å; M126-M132 WeakPolarHBondContact O-CA 3.39Å; M126-M132 PolarHBondContact O-N 3.41Å |
| 127 | M | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.4 | 176.5 | -58.9 | -174.3 | -74.9 | 0 | 0 | 113.8 | P53 T56 R124 L125 | P53-M127 HydrophobicContact CB-CG 3.5Å; P53-M127 HydrophobicContact CB-SD 3.85Å; P53-M127 HydrophobicContact CG-CG 3.54Å; T56-M127 HydrophobicContact CG2-CG 4.37Å; R124-M127 HydrophobicContact CG-CE 4.35Å; R124-M127 WeakPolarHBondContact O-CB 3.33Å; R124-M127 PolarHBondContact O-N 3.21Å; R124-M127 VanDerWaalsContact O-N 3.07Å; L125-M127 PolarHBondContact O-N 3.14Å |
| 128 | S | 97.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -66.5 | 151.8 | 179.1 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | L125 M126 E130 N131 M132 | L125-S128 VanDerWaalsContact O-CB 3.27Å; L125-S128 WeakPolarHBondContact O-CB 3.44Å; L125-S128 PolarHBondContact O-N 2.71Å; L125-S128 VanDerWaalsContact O-N 3.1Å; L125-S128 PolarHBondContact O-OG 3.3Å; M126-S128 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 3.43Å; S128-E130 VanDerWaalsContact O-N 3.15Å; S128-E130 WeakPolarHBondContact OG-CG 3.27Å; S128-N131 PolarHBondContact O-N 2.85Å; S128-N131 WeakPolarHBondContact OG-CB 3.41Å; S128-N131 PolarHBondContact OG-N 2.7Å; S128-N131 PolarHBondContact OG-ND2 3.43Å; S128-M132 WeakPolarHBondContact O-CB 3.49Å; S128-M132 WeakPolarHBondContact O-CG 3.43Å; S128-M132 PolarHBondContact O-N 3.47Å |
| 129 | K | 97 | Very high | 97.5 | Very high | 199 Ų | 199 | 65 Ų | 65 | 87% | 0.865 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.6 | -178.5 | -68.4 | -176.6 | 178.9 | 178.8 | 0 | 113.2 | ||
| 130 | E | 96.6 | Very high | 97.2 | Very high | 113 Ų | 113 | 68 Ų | 68 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -26.3 | 179.6 | 58.7 | -178.5 | 163.3 | 0 | 0 | 113.3 | N89 S128 L134 | N89-E130 PolarHBondContact ND2-OE2 2.8Å; S128-E130 PolarHBondContact O-N 3.43Å; S128-E130 VanDerWaalsContact O-N 3.15Å; S128-E130 WeakPolarHBondContact OG-CG 3.27Å; E130-L134 WeakPolarHBondContact O-CG 3.23Å |
| 131 | N | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.011 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -38.3 | -175.5 | -71.8 | -31.3 | 0 | 0 | 0 | 113.3 | Y58 M88 N89 L125 S128 K133 L134 | Y58-N131 HydrophobicContact CE2-CB 4.19Å; Y58-N131 WeakPolarHBondContact CE2-O 3.47Å; Y58-N131 WeakPolarHBondContact OH-CB 3.39Å; Y58-N131 PolarHBondContact OH-O 2.74Å; Y58-N131 VanDerWaalsContact OH-O 3.09Å; M88-N131 HydrophobicContact CG-CB 4.5Å; N89-N131 WeakPolarHBondContact CB-OD1 3.28Å; N89-N131 PolarHBondContact N-OD1 3.06Å; L125-N131 WeakPolarHBondContact O-CB 3.4Å; L125-N131 PolarHBondContact O-ND2 3.12Å; S128-N131 PolarHBondContact O-N 2.85Å; S128-N131 WeakPolarHBondContact OG-CB 3.41Å; S128-N131 PolarHBondContact OG-N 2.7Å; S128-N131 PolarHBondContact OG-ND2 3.43Å; N131-K133 PolarHBondContact O-N 3.14Å; N131-L134 HydrophobicContact CB-CD1 4.43Å; N131-L134 WeakPolarHBondContact O-CB 3.35Å; N131-L134 WeakPolarHBondContact O-CG 3.27Å; N131-L134 PolarHBondContact O-N 2.86Å |
| 132 | M | 97.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.4 | -165.2 | 71 | 179.8 | -61.1 | 0 | 0 | 115.2 | R55 T56 N57 M126 S128 | R55-M132 WeakPolarHBondContact O-CE 3.16Å; T56-M132 WeakPolarHBondContact CA-O 3.43Å; T56-M132 HydrophobicContact CG2-CB 3.86Å; N57-M132 PolarHBondContact N-O 2.61Å; M126-M132 WeakPolarHBondContact O-CA 3.39Å; M126-M132 PolarHBondContact O-N 3.41Å; S128-M132 WeakPolarHBondContact O-CB 3.49Å; S128-M132 WeakPolarHBondContact O-CG 3.43Å; S128-M132 PolarHBondContact O-N 3.47Å |
| 133 | K | 97.6 | Very high | 97 | Very high | 163 Ų | 163 | 70.3 Ų | 70.3 | 71% | 0.709 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 7 | 179.2 | -58 | -169.3 | -179.7 | -179.8 | 0 | 114 | N57 N131 | N57-K133 PolarHBondContact ND2-O 2.61Å; N131-K133 PolarHBondContact O-N 3.14Å |
| 134 | L | 97.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 73.4 Ų | 73.4 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.7 | 179 | -71.1 | 176.2 | 0 | 0 | 0 | 110.1 | N57 E130 N131 Q136 | N57-L134 WeakPolarHBondContact CB-O 3.31Å; N57-L134 PolarHBondContact ND2-O 3.04Å; E130-L134 WeakPolarHBondContact O-CG 3.23Å; N131-L134 HydrophobicContact CB-CD1 4.43Å; N131-L134 WeakPolarHBondContact O-CB 3.35Å; N131-L134 WeakPolarHBondContact O-CG 3.27Å; N131-L134 PolarHBondContact O-N 2.86Å; L134-Q136 PolarHBondContact O-N 3.49Å; L134-Q136 PolarHBondContact O-NE2 3.49Å |
| 135 | P | 97.7 | Very high | 94.9 | Very high | 105 Ų | 105 | 75.8 Ų | 75.8 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 126.9 | 171.7 | -22.8 | 33.5 | 0 | 0 | 0 | 110 | S87 | S87-P135 VanDerWaalsContact CB-O 3.26Å; S87-P135 WeakPolarHBondContact CB-O 3.41Å |
| 136 | Q | 98.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 78.8 Ų | 78.8 | 15% | 0.15 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 149.7 | -179.5 | -65.7 | -52.4 | -57.7 | 0 | 0 | 111.5 | N57 Y58 S87 L134 | N57-Q136 HydrophobicContact CB-CG 4.06Å; N57-Q136 WeakPolarHBondContact O-CG 3.19Å; Y58-Q136 HydrophobicContact CD1-CG 4.18Å; Y58-Q136 HydrophobicContact CE1-CG 4.28Å; S87-Q136 PolarHBondContact O-NE2 2.86Å; L134-Q136 PolarHBondContact O-N 3.49Å; L134-Q136 PolarHBondContact O-NE2 3.49Å |
| 137 | P | 97.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 82.9 Ų | 82.9 | 19% | 0.188 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 163.4 | 167.5 | 26.5 | -33.4 | 0 | 0 | 0 | 111 | R61 K85 E139 | R61-P137 PolarHBondContact NH1-O 3.04Å; K85-P137 HydrophobicContact CB-CB 4.21Å; K85-P137 HydrophobicContact CB-CG 3.68Å; K85-P137 WeakPolarHBondContact O-CG 3.4Å; P137-E139 PolarHBondContact O-N 3.15Å |
| 138 | P | 96.6 | Very high | 94.4 | Very high | 83 Ų | 83 | 82.6 Ų | 82.6 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 138.9 | 172.1 | -25.6 | 35.2 | 0 | 0 | 0 | 111.3 | Q141 | P138-Q141 HydrophobicContact CB-CG 4.3Å; P138-Q141 WeakPolarHBondContact O-CG 3.37Å |
| 139 | E | 94.4 | Very high | 94.2 | Very high | 130 Ų | 130 | 86.1 Ų | 86.1 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 149.7 | 179.9 | -172.2 | 174.2 | 178.9 | 0 | 0 | 111.5 | R61 P137 Q141 | R61-E139 HydrophobicContact CG-CG 4.29Å; P137-E139 PolarHBondContact O-N 3.15Å; E139-Q141 PolarHBondContact O-N 2.95Å |
| 140 | G | 91.1 | Very high | 94 | Very high | 63 Ų | 63 | 79 Ų | 79 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -6.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 141 | Q | 96.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | trans | -69.2 | 139.5 | 172.3 | -68.3 | -164.9 | 11.8 | 0 | 0 | 111.3 | K85 P138 E139 | K85-Q141 HydrophobicContact CB-CB 4.1Å; K85-Q141 HydrophobicContact CD-CB 3.83Å; K85-Q141 HydrophobicContact CG-CB 3.95Å; K85-Q141 PolarHBondContact N-O 3.07Å; P138-Q141 HydrophobicContact CB-CG 4.3Å; P138-Q141 WeakPolarHBondContact O-CG 3.37Å; E139-Q141 PolarHBondContact O-N 2.95Å | ||
| 142 | T | 97.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 82.1 Ų | 82.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 155.6 | 174.3 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | V83 K85 | V83-T142 HydrophobicContact CG1-CG2 4.05Å; V83-T142 CarbonylContact O-C 3.59Å; V83-T142 WeakPolarHBondContact O-CA 3.35Å; V83-T142 WeakPolarHBondContact O-CB 3.21Å; K85-T142 WeakPolarHBondContact CE-O 3.47Å |
| 143 | Y | 94.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 84.5 Ų | 84.5 | 4% | 0.043 | 50% | 0.498 | C | S | . | . | trans | -73.7 | 143.7 | 166.5 | -61.3 | -76.3 | 0 | 0 | 0 | 109.5 | F82 V83 T84 K85 I86 N93 S94 T145 | F82-Y143 HydrophobicContact CB-CD2 4.4Å; F82-Y143 HydrophobicContact CB-CE2 3.96Å; F82-Y143 VanDerWaalsContact O-CD2 3.31Å; F82-Y143 WeakPolarHBondContact O-CD2 3.36Å; V83-Y143 PolarHBondContact O-N 3.07Å; T84-Y143 WeakPolarHBondContact O-CE2 3.43Å; K85-Y143 VanDerWaalsContact CA-CE2 3.48Å; K85-Y143 HydrophobicContact CB-CE1 4.47Å; K85-Y143 HydrophobicContact CB-CE2 4.3Å; K85-Y143 HydrophobicContact CD-CE1 4.36Å; K85-Y143 HydrophobicContact CG-CD1 4Å; K85-Y143 HydrophobicContact CG-CD2 4.24Å; K85-Y143 HydrophobicContact CG-CE1 3.89Å; K85-Y143 HydrophobicContact CG-CE2 4.16Å; K85-Y143 HydrophobicContact CG-CG 4.17Å; I86-Y143 PolarHBondContact N-OH 3.09Å; I86-Y143 VanDerWaalsContact N-OH 3.16Å; I86-Y143 PolarHBondContact O-OH 3.46Å; I86-Y143 VanDerWaalsContact O-OH 3.04Å; N93-Y143 WeakPolarHBondContact O-CE1 3.25Å; S94-Y143 WeakPolarHBondContact O-CD1 3.46Å; Y143-T145 PolarHBondContact O-N 2.77Å | ||
| 144 | S | 88.2 | Confident | 92.8 | Very high | 113 Ų | 113 | 77.9 Ų | 77.9 | 79% | 0.79 | 48% | 0.481 | S | S | * | . | trans | -60.8 | 137.1 | 170.9 | -58.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 145 | T | 64.3 | Low | 92.4 | Very high | 173 Ų | 173 | 81.3 Ų | 81.3 | 100% | 1.061 | 51% | 0.505 | S | S | * | . | trans | -68.6 | 0 | 172 | 34.8 | 0 | 0 | 0 | 0 | 112.5 | Y143 | Y143-T145 PolarHBondContact O-N 2.77Š|
Retrieved 145 of 145 residues in 317.2 ms
(Link to these results)