| 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 | 36.3 | Very low | 45.6 | Very low | 251 Ų | 251 | 106 Ų | 106 | 100% | 1.236 | 62% | 0.623 | S | S | * | * | 0 | 89.6 | 0 | -71.4 | 162.3 | 84.3 | 0 | 0 | 108.1 | |||||
| 2 | S | 39.3 | Very low | 48.4 | Very low | 119 Ų | 119 | 99.2 Ų | 99.2 | 83% | 0.832 | 58% | 0.579 | S | S | * | * | trans | -155.4 | 105.8 | 159.4 | -158.5 | 0 | 0 | 0 | 0 | 103.4 | D4 | S2-D4 PolarHBondContact O-N 3.09Å; S2-D4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | S | 38.9 | Very low | 51 | Low | 118 Ų | 118 | 92 Ų | 92 | 83% | 0.825 | 54% | 0.537 | S | S | * | . | trans | -71.4 | 102.4 | 179.3 | 48.7 | 0 | 0 | 0 | 0 | 107.3 | A5 | S3-A5 PolarHBondContact O-N 2.96Š| ||
| 4 | D | 40.3 | Very low | 53 | Low | 141 Ų | 141 | 94.7 Ų | 94.7 | 75% | 0.754 | 54% | 0.542 | S | S | * | . | trans | -64.9 | 97.7 | 173.9 | -154.8 | 1.1 | 0 | 0 | 0 | 107.6 | S2 S6 | S2-D4 PolarHBondContact O-N 3.09Å; S2-D4 VanDerWaalsContact O-N 3.09Å; D4-S6 PolarHBondContact O-N 2.88Å | ||
| 5 | A | 38.7 | Very low | 54.7 | Low | 72 Ų | 72 | 94.3 Ų | 94.3 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | trans | -74.4 | 63.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | S3 I7 | S3-A5 PolarHBondContact O-N 2.96Å; A5-I7 HydrophobicContact CB-CD1 3.96Å; A5-I7 HydrophobicContact CB-CG1 4Å; A5-I7 PolarHBondContact O-N 3.19Å | ||
| 6 | S | 38.5 | Very low | 56.6 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -68.4 | 72.5 | 162.9 | 52.2 | 0 | 0 | 0 | 0 | 106.9 | D4 H8 | D4-S6 PolarHBondContact O-N 2.88Å; S6-H8 PolarHBondContact O-N 3.18Å | ||
| 7 | I | 46.8 | Very low | 58.6 | Low | 66 Ų | 66 | 92.4 Ų | 92.4 | 34% | 0.338 | 54% | 0.536 | S | S | . | . | trans | -69.7 | 100.5 | 179.3 | -74.4 | 171.6 | 0 | 0 | 0 | 104.9 | A5 T9 W36 | A5-I7 HydrophobicContact CB-CD1 3.96Å; A5-I7 HydrophobicContact CB-CG1 4Å; A5-I7 PolarHBondContact O-N 3.19Å; I7-T9 PolarHBondContact O-N 3.33Å; I7-W36 HydrophobicContact CB-CZ2 4.25Å; I7-W36 HydrophobicContact CD1-CH2 3.34Å; I7-W36 HydrophobicContact CD1-CZ2 3.18Å; I7-W36 HydrophobicContact CG1-CZ2 4.25Å; I7-W36 HydrophobicContact CG2-CZ2 3.79Å | ||
| 8 | H | 43.9 | Very low | 60.6 | Low | 162 Ų | 162 | 87.3 Ų | 87.3 | 75% | 0.75 | 51% | 0.507 | S | S | * | . | trans | -57.4 | 80.5 | 179.5 | -61.7 | -68.5 | 0 | 0 | 0 | 110.9 | S6 G10 N127 | S6-H8 PolarHBondContact O-N 3.18Å; H8-G10 PolarHBondContact O-N 2.85Å; H8-N127 PolarHBondContact O-OD1 3.16Å | ||
| 9 | T | 51.7 | Low | 62.5 | Low | 38 Ų | 38 | 82.9 Ų | 82.9 | 23% | 0.233 | 48% | 0.481 | C | S | . | . | trans | -62.1 | 127.6 | 149.8 | 52.3 | 0 | 0 | 0 | 0 | 105.4 | I7 N11 L32 | I7-T9 PolarHBondContact O-N 3.33Å; T9-N11 PolarHBondContact O-N 3.16Å; T9-L32 HydrophobicContact CG2-CB 4.44Å; T9-L32 HydrophobicContact CG2-CD1 4.32Å | ||
| 10 | G | 57.3 | Low | 64.1 | Low | 22 Ų | 22 | 81.2 Ų | 81.2 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | trans | -44.2 | 143 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | H8 W12 N127 | H8-G10 PolarHBondContact O-N 2.85Å; G10-W12 PolarHBondContact O-N 3.27Å; G10-N127 PolarHBondContact N-OD1 3.14Å | ||
| 11 | N | 69.5 | Low | 65.7 | Low | 105 Ų | 105 | 77.6 Ų | 77.6 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -50.5 | -11.8 | -173.5 | -175.1 | -48.4 | 0 | 0 | 0 | 114.5 | T9 L13 E14 | T9-N11 PolarHBondContact O-N 3.16Å; N11-L13 PolarHBondContact O-N 3.48Å; N11-E14 PolarHBondContact ND2-OE2 2.99Å; N11-E14 VanDerWaalsContact O-CB 3.25Å; N11-E14 WeakPolarHBondContact O-CB 3.49Å; N11-E14 PolarHBondContact O-N 3.5Å; N11-E14 PolarHBondContact OD1-OE2 2.74Å; N11-E14 VanDerWaalsContact OD1-OE2 3.06Å |
| 12 | W | 78.9 | Confident | 68.3 | Low | 24 Ų | 24 | 68.6 Ų | 68.6 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -54.9 | -26.8 | -175 | 77.5 | -79.8 | 0 | 0 | 0 | 115.1 | G10 I40 L42 K105 L109 R126 N127 G128 | G10-W12 PolarHBondContact O-N 3.27Å; W12-I40 HydrophobicContact CZ2-CD1 4.28Å; W12-L42 HydrophobicContact CH2-CD2 3.68Å; W12-L42 HydrophobicContact CZ3-CD1 4.15Å; W12-L42 HydrophobicContact CZ3-CD2 3.74Å; W12-K105 VanDerWaalsContact O-CE 3.25Å; W12-K105 WeakPolarHBondContact O-CE 3.35Å; W12-K105 PolarHBondContact O-NZ 3.46Å; W12-L109 HydrophobicContact CE3-CD2 4.12Å; W12-R126 PolarHBondContact NE1-O 3.01Å; W12-R126 VanDerWaalsContact NE1-O 3.16Å; W12-N127 VanDerWaalsContact CD1-O 3.23Å; W12-G128 VanDerWaalsContact NE1-N 3.2Å |
| 13 | L | 82.6 | Confident | 70.7 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -100.3 | 5.1 | 173.5 | -69.8 | 178.2 | 0 | 0 | 0 | 115.6 | N11 G15 I16 L18 L32 L35 L99 | N11-L13 PolarHBondContact O-N 3.48Å; L13-G15 PolarHBondContact O-N 2.99Å; L13-I16 HydrophobicContact CD2-CD1 4.43Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.13Å; L13-L18 HydrophobicContact CD1-CD1 4.08Å; L13-L18 HydrophobicContact CD1-CG 4.46Å; L13-L18 HydrophobicContact CD2-CD2 4.48Å; L13-L32 HydrophobicContact CB-CD1 4.3Å; L13-L32 HydrophobicContact CD1-CD1 4.42Å; L13-L32 HydrophobicContact CD1-CD2 3.63Å; L13-L35 HydrophobicContact CD1-CD1 3.83Å; L13-L99 HydrophobicContact CD2-CD1 3.65Å |
| 14 | E | 79 | Confident | 73.1 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131 | 179.2 | -172.2 | 174.3 | -166.6 | 0 | 0 | 111 | N11 I16 | N11-E14 PolarHBondContact ND2-OE2 2.99Å; N11-E14 VanDerWaalsContact O-CB 3.25Å; N11-E14 WeakPolarHBondContact O-CB 3.49Å; N11-E14 PolarHBondContact O-N 3.5Å; N11-E14 PolarHBondContact OD1-OE2 2.74Å; N11-E14 VanDerWaalsContact OD1-OE2 3.06Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 2.68Å |
| 15 | G | 78.7 | Confident | 75.5 | Confident | 88 Ų | 88 | 67 Ų | 67 | 91% | 0.907 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 10.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L13 | L13-G15 PolarHBondContact O-N 2.99Š|
| 16 | I | 84.9 | Confident | 78.1 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | trans | -120.9 | 147.4 | -173 | -56 | 160.7 | 0 | 0 | 0 | 111.5 | L13 E14 L99 E100 A101 K105 | L13-I16 HydrophobicContact CD2-CD1 4.43Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.13Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 2.68Å; I16-L99 HydrophobicContact CB-CD1 4.41Å; I16-L99 HydrophobicContact CG2-CD1 3.28Å; I16-L99 HydrophobicContact CG2-CD2 4.32Å; I16-L99 HydrophobicContact CG2-CG 3.6Å; I16-E100 WeakPolarHBondContact CG2-O 3.49Å; I16-A101 HydrophobicContact CG2-CB 4.15Å; I16-K105 HydrophobicContact CD1-CD 3.46Å; I16-K105 VanDerWaalsContact CD1-CD 3.46Å; I16-K105 HydrophobicContact CD1-CG 3.36Å; I16-K105 HydrophobicContact CG1-CD 4.17Å; I16-K105 HydrophobicContact CG1-CG 3.93Å | ||
| 17 | R | 90.8 | Very high | 80.8 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.6 | 172.4 | -58.4 | -169.6 | -65.6 | -157.9 | -5.5 | 110.8 | M19 E100 | R17-M19 HydrophobicContact CB-SD 3.94Å; R17-E100 HydrophobicContact CB-CB 4.42Å; R17-E100 IonicContact CZ-OE2 2.87Å; R17-E100 IonicContact NE-OE2 3.57Å; R17-E100 PolarHBondContact NE-OE2 2.89Å; R17-E100 IonicContact NH2-OE1 2.59Å; R17-E100 IonicContact NH2-OE2 3.55Å; R17-E100 PolarHBondContact NH2-OE2 2.9Å; R17-E100 PolarHBondContact O-N 3.23Å |
| 18 | L | 94.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139 | 157.7 | -69.2 | -178.9 | 0 | 0 | 0 | 108.6 | L13 P29 V30 L32 L35 V74 L99 | L13-L18 HydrophobicContact CD1-CD1 4.08Å; L13-L18 HydrophobicContact CD1-CG 4.46Å; L13-L18 HydrophobicContact CD2-CD2 4.48Å; L18-P29 CarbonylContact O-C 3.58Å; L18-P29 VanDerWaalsContact O-CA 3.3Å; L18-P29 WeakPolarHBondContact O-CA 3.29Å; L18-V30 HydrophobicContact CB-CG2 3.57Å; L18-V30 WeakPolarHBondContact O-CG2 3.41Å; L18-V30 PolarHBondContact O-N 3.46Å; L18-L32 HydrophobicContact CD1-CD2 3.71Å; L18-L32 HydrophobicContact CG-CD2 4.07Å; L18-L35 HydrophobicContact CD1-CD1 3.82Å; L18-L35 HydrophobicContact CD1-CD2 4.22Å; L18-L35 HydrophobicContact CD1-CG 4.23Å; L18-V74 HydrophobicContact CD1-CG2 4.42Å; L18-V74 HydrophobicContact CD2-CB 4.46Å; L18-V74 HydrophobicContact CD2-CG1 3.55Å; L18-V74 HydrophobicContact CD2-CG2 4.03Å; L18-L99 HydrophobicContact CD2-CD1 3.73Å |
| 19 | M | 96.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.9 | -176.4 | -56.5 | -64.9 | -66.5 | 0 | 0 | 109.4 | R17 A27 S28 P29 A97 W98 E100 | R17-M19 HydrophobicContact CB-SD 3.94Å; M19-A27 HydrophobicContact CE-CB 4.3Å; M19-S28 WeakPolarHBondContact CA-O 3.41Å; M19-P29 HydrophobicContact CE-CG 4.11Å; M19-P29 VanDerWaalsContact SD-CA 3.52Å; M19-P29 HydrophobicContact SD-CB 3.98Å; M19-P29 HydrophobicContact SD-CG 3.8Å; M19-A97 CarbonylContact O-C 3.54Å; M19-A97 VanDerWaalsContact O-CA 3.26Å; M19-A97 WeakPolarHBondContact O-CA 3.38Å; M19-W98 HydrophobicContact CB-CD2 3.6Å; M19-W98 HydrophobicContact CB-CE3 3.86Å; M19-W98 HydrophobicContact CB-CG 4.29Å; M19-W98 HydrophobicContact CB-CH2 3.64Å; M19-W98 HydrophobicContact CB-CZ2 3.38Å; M19-W98 HydrophobicContact CB-CZ3 3.88Å; M19-W98 HydrophobicContact CE-CH2 4.39Å; M19-W98 HydrophobicContact CG-CD2 4.29Å; M19-W98 HydrophobicContact CG-CE3 4.01Å; M19-W98 HydrophobicContact CG-CH2 3.57Å; M19-W98 HydrophobicContact CG-CZ2 3.87Å; M19-W98 HydrophobicContact CG-CZ3 3.65Å; M19-W98 PolarHBondContact N-O 3.33Å; M19-W98 PolarHBondContact O-N 3.04Å; M19-E100 HydrophobicContact CG-CB 3.83Å |
| 20 | K | 96 | Very high | 87.5 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147 | 164.2 | -74.7 | -161.3 | -179.5 | -165.3 | 0 | 110.1 | A27 S28 V30 E72 K95 A97 | K20-A27 WeakPolarHBondContact O-CA 3.48Å; K20-S28 PolarHBondContact N-O 2.7Å; K20-S28 PolarHBondContact O-N 3.06Å; K20-V30 HydrophobicContact CB-CG1 4Å; K20-V30 HydrophobicContact CD-CG1 4.43Å; K20-V30 HydrophobicContact CG-CG1 3.97Å; K20-V30 HydrophobicContact CG-CG2 4.45Å; K20-E72 IonicContact NZ-OE1 2.66Å; K20-E72 PolarHBondContact NZ-OE1 3.43Å; K20-E72 IonicContact NZ-OE2 3.82Å; K20-E72 PolarHBondContact NZ-OE2 3.13Å; K20-K95 PolarHBondContact NZ-O 3.14Å; K20-A97 HydrophobicContact CG-CB 4.18Å |
| 21 | T | 95.7 | Very high | 89.1 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.2 | 173.7 | -50.8 | 0 | 0 | 0 | 0 | 109.7 | G25 V26 S90 R94 W98 | T21-G25 WeakPolarHBondContact CG2-O 3.43Å; T21-V26 WeakPolarHBondContact CA-O 3.19Å; T21-S90 WeakPolarHBondContact CB-O 3.37Å; T21-S90 WeakPolarHBondContact CG2-O 3.4Å; T21-S90 WeakPolarHBondContact OG1-CA 3.5Å; T21-S90 PolarHBondContact OG1-O 3.4Å; T21-R94 WeakPolarHBondContact O-CA 3.3Å; T21-R94 VanDerWaalsContact O-CB 3.32Å; T21-R94 WeakPolarHBondContact O-CB 3.4Å; T21-W98 PolarHBondContact OG1-NE1 2.59Å |
| 22 | N | 92.5 | Very high | 90.1 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | trans | -76.3 | -177.6 | -179.6 | 71.5 | 17 | 0 | 0 | 0 | 112.7 | L24 G25 V26 R94 | N22-L24 PolarHBondContact O-N 3.13Å; N22-L24 WeakPolarHBondContact OD1-CA 3.38Å; N22-L24 WeakPolarHBondContact OD1-CB 3.11Å; N22-L24 PolarHBondContact OD1-N 3.05Å; N22-G25 PolarHBondContact O-N 2.98Å; N22-G25 VanDerWaalsContact O-N 3.07Å; N22-G25 PolarHBondContact OD1-N 3.37Å; N22-V26 PolarHBondContact N-O 3.11Å; N22-V26 PolarHBondContact OD1-N 3.05Å; N22-V26 PolarHBondContact OD1-O 3.36Å; N22-R94 WeakPolarHBondContact O-CD 3.35Å | ||
| 23 | F | 88.3 | Confident | 90.6 | Very high | 170 Ų | 170 | 66.4 Ų | 66.4 | 75% | 0.746 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | -179.2 | 74.1 | -86.4 | 0 | 0 | 0 | 114.1 | G25 | F23-G25 VanDerWaalsContact C-N 3.31Š|
| 24 | L | 90.8 | Very high | 91 | Very high | 121 Ų | 121 | 68 Ų | 68 | 63% | 0.634 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.3 | 176.9 | -61.5 | 172.9 | 0 | 0 | 0 | 113 | N22 V26 | N22-L24 PolarHBondContact O-N 3.13Å; N22-L24 WeakPolarHBondContact OD1-CA 3.38Å; N22-L24 WeakPolarHBondContact OD1-CB 3.11Å; N22-L24 PolarHBondContact OD1-N 3.05Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 HydrophobicContact CB-CG2 4.21Å |
| 25 | G | 90.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 61.9 Ų | 61.9 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 80.3 | 9.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T21 N22 F23 | T21-G25 WeakPolarHBondContact CG2-O 3.43Å; N22-G25 PolarHBondContact O-N 2.98Å; N22-G25 VanDerWaalsContact O-N 3.07Å; N22-G25 PolarHBondContact OD1-N 3.37Å; F23-G25 VanDerWaalsContact C-N 3.31Å |
| 26 | V | 92.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 62 Ų | 62 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -87.2 | 122 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | T21 N22 L24 | T21-V26 WeakPolarHBondContact CA-O 3.19Å; N22-V26 PolarHBondContact N-O 3.11Å; N22-V26 PolarHBondContact OD1-N 3.05Å; N22-V26 PolarHBondContact OD1-O 3.36Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 HydrophobicContact CB-CG2 4.21Å | ||
| 27 | A | 94.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M19 K20 W98 | M19-A27 HydrophobicContact CE-CB 4.3Å; K20-A27 WeakPolarHBondContact O-CA 3.48Å; A27-W98 HydrophobicContact CB-CZ2 3.71Å |
| 28 | S | 94.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.9 | 175.9 | 63 | 0 | 0 | 0 | 0 | 111.7 | M19 K20 | M19-S28 WeakPolarHBondContact CA-O 3.41Å; K20-S28 PolarHBondContact N-O 2.7Å; K20-S28 PolarHBondContact O-N 3.06Å |
| 29 | P | 94.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 150.3 | 171.2 | -20.1 | 32.5 | 0 | 0 | 0 | 111.6 | L18 M19 | L18-P29 CarbonylContact O-C 3.58Å; L18-P29 VanDerWaalsContact O-CA 3.3Å; L18-P29 WeakPolarHBondContact O-CA 3.29Å; M19-P29 HydrophobicContact CE-CG 4.11Å; M19-P29 VanDerWaalsContact SD-CA 3.52Å; M19-P29 HydrophobicContact SD-CB 3.98Å; M19-P29 HydrophobicContact SD-CG 3.8Å |
| 30 | V | 94 | Very high | 92.3 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 24% | 0.242 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147 | 172.9 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | L18 K20 M34 | L18-V30 HydrophobicContact CB-CG2 3.57Å; L18-V30 WeakPolarHBondContact O-CG2 3.41Å; L18-V30 PolarHBondContact O-N 3.46Å; K20-V30 HydrophobicContact CB-CG1 4Å; K20-V30 HydrophobicContact CD-CG1 4.43Å; K20-V30 HydrophobicContact CG-CG1 3.97Å; K20-V30 HydrophobicContact CG-CG2 4.45Å; V30-M34 HydrophobicContact CB-SD 3.74Å; V30-M34 HydrophobicContact CG2-SD 3.28Å; V30-M34 WeakPolarHBondContact CG2-SD 3.33Å |
| 31 | Q | 91.9 | Very high | 92.4 | Very high | 147 Ų | 147 | 59.2 Ų | 59.2 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | trans | -69 | 138.7 | 177.4 | -82.4 | -170.5 | 6.3 | 0 | 0 | 110.9 | E33 M34 | Q31-E33 HydrophobicContact CB-CB 4.43Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.2Å; Q31-E33 PolarHBondContact O-N 3.34Å; Q31-M34 WeakPolarHBondContact O-CB 3.11Å; Q31-M34 WeakPolarHBondContact O-CG 3.41Å; Q31-M34 PolarHBondContact O-N 3.42Å | ||
| 32 | L | 90.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -66.2 | -22.1 | -176.4 | -64.8 | -173.1 | 0 | 0 | 0 | 112.9 | T9 L13 L18 M34 L35 | T9-L32 HydrophobicContact CG2-CB 4.44Å; T9-L32 HydrophobicContact CG2-CD1 4.32Å; L13-L32 HydrophobicContact CB-CD1 4.3Å; L13-L32 HydrophobicContact CD1-CD1 4.42Å; L13-L32 HydrophobicContact CD1-CD2 3.63Å; L18-L32 HydrophobicContact CD1-CD2 3.71Å; L18-L32 HydrophobicContact CG-CD2 4.07Å; L32-M34 PolarHBondContact O-N 3.16Å; L32-L35 VanDerWaalsContact O-CB 3.26Å; L32-L35 WeakPolarHBondContact O-CB 3.26Å; L32-L35 WeakPolarHBondContact O-CG 3.32Å; L32-L35 PolarHBondContact O-N 2.76Å |
| 33 | E | 89.2 | Confident | 92.7 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -46.3 | -31.4 | 170.1 | -69.7 | 65.1 | -157.3 | 0 | 0 | 112.1 | Q31 L35 W36 | Q31-E33 HydrophobicContact CB-CB 4.43Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.2Å; Q31-E33 PolarHBondContact O-N 3.34Å; E33-L35 PolarHBondContact O-N 3.11Å; E33-W36 HydrophobicContact CB-CD2 4.37Å; E33-W36 HydrophobicContact CB-CE3 4.42Å; E33-W36 HydrophobicContact CB-CH2 4.26Å; E33-W36 HydrophobicContact CB-CZ2 4.17Å; E33-W36 HydrophobicContact CB-CZ3 4.38Å; E33-W36 HydrophobicContact CG-CH2 3.61Å; E33-W36 HydrophobicContact CG-CZ2 3.59Å; E33-W36 HydrophobicContact CG-CZ3 4.15Å; E33-W36 WeakPolarHBondContact O-CB 3.37Å; E33-W36 PolarHBondContact O-N 2.81Å |
| 34 | M | 91 | Very high | 93.2 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -60 | -18.4 | 177.2 | 74.3 | 170.8 | -74.4 | 0 | 0 | 114.4 | V30 Q31 L32 K38 E72 A97 | V30-M34 HydrophobicContact CB-SD 3.74Å; V30-M34 HydrophobicContact CG2-SD 3.28Å; V30-M34 WeakPolarHBondContact CG2-SD 3.33Å; Q31-M34 WeakPolarHBondContact O-CB 3.11Å; Q31-M34 WeakPolarHBondContact O-CG 3.41Å; Q31-M34 PolarHBondContact O-N 3.42Å; L32-M34 PolarHBondContact O-N 3.16Å; M34-K38 WeakPolarHBondContact O-CD 3.4Å; M34-K38 VanDerWaalsContact O-CE 3.26Å; M34-K38 WeakPolarHBondContact O-CE 3.26Å; M34-K38 PolarHBondContact O-NZ 3.43Å; M34-E72 HydrophobicContact CE-CG 3.59Å; M34-E72 WeakPolarHBondContact CE-OE2 3.36Å; M34-A97 HydrophobicContact CE-CB 4.43Å |
| 35 | L | 92.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -89.7 | -7.9 | -179.3 | -56.9 | 178.7 | 0 | 0 | 0 | 112.7 | L13 L18 L32 E33 K38 I40 E72 | L13-L35 HydrophobicContact CD1-CD1 3.83Å; L18-L35 HydrophobicContact CD1-CD1 3.82Å; L18-L35 HydrophobicContact CD1-CD2 4.22Å; L18-L35 HydrophobicContact CD1-CG 4.23Å; L32-L35 VanDerWaalsContact O-CB 3.26Å; L32-L35 WeakPolarHBondContact O-CB 3.26Å; L32-L35 WeakPolarHBondContact O-CG 3.32Å; L32-L35 PolarHBondContact O-N 2.76Å; E33-L35 PolarHBondContact O-N 3.11Å; L35-K38 PolarHBondContact O-N 3.24Å; L35-I40 HydrophobicContact CB-CD1 3.98Å; L35-I40 HydrophobicContact CD1-CD1 3.93Å; L35-I40 HydrophobicContact CD2-CD1 4.06Å; L35-I40 HydrophobicContact CD2-CG1 4.17Å; L35-I40 HydrophobicContact CG-CD1 4.21Å; L35-E72 HydrophobicContact CD2-CB 4.03Å; L35-E72 HydrophobicContact CD2-CG 3.84Å |
| 36 | W | 87.5 | Confident | 93.8 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 35% | 0.345 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 139.1 | -178.3 | -68.5 | -8.2 | 0 | 0 | 0 | 112.2 | I7 E33 K38 R126 | I7-W36 HydrophobicContact CB-CZ2 4.25Å; I7-W36 HydrophobicContact CD1-CH2 3.34Å; I7-W36 HydrophobicContact CD1-CZ2 3.18Å; I7-W36 HydrophobicContact CG1-CZ2 4.25Å; I7-W36 HydrophobicContact CG2-CZ2 3.79Å; E33-W36 HydrophobicContact CB-CD2 4.37Å; E33-W36 HydrophobicContact CB-CE3 4.42Å; E33-W36 HydrophobicContact CB-CH2 4.26Å; E33-W36 HydrophobicContact CB-CZ2 4.17Å; E33-W36 HydrophobicContact CB-CZ3 4.38Å; E33-W36 HydrophobicContact CG-CH2 3.61Å; E33-W36 HydrophobicContact CG-CZ2 3.59Å; E33-W36 HydrophobicContact CG-CZ3 4.15Å; E33-W36 WeakPolarHBondContact O-CB 3.37Å; E33-W36 PolarHBondContact O-N 2.81Å; W36-K38 WeakPolarHBondContact O-CG 3.25Å; W36-K38 PolarHBondContact O-N 3.14Å; W36-K38 VanDerWaalsContact O-N 3.11Å; W36-R126 VanDerWaalsContact NE1-NH2 3.18Å |
| 37 | N | 86 | Confident | 94 | Very high | 112 Ų | 112 | 37.9 Ų | 37.9 | 60% | 0.599 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23.9 | -179 | -55.3 | -23.6 | 0 | 0 | 0 | 113.9 | ||
| 38 | K | 93.8 | Very high | 94.1 | Very high | 36 Ų | 36 | 45 Ų | 45 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | trans | -117.3 | 145.9 | 176.8 | -62.2 | -173.4 | -169.7 | -170.4 | 0 | 110.7 | M34 L35 W36 F68 D69 Q70 E72 | M34-K38 WeakPolarHBondContact O-CD 3.4Å; M34-K38 VanDerWaalsContact O-CE 3.26Å; M34-K38 WeakPolarHBondContact O-CE 3.26Å; M34-K38 PolarHBondContact O-NZ 3.43Å; L35-K38 PolarHBondContact O-N 3.24Å; W36-K38 WeakPolarHBondContact O-CG 3.25Å; W36-K38 PolarHBondContact O-N 3.14Å; W36-K38 VanDerWaalsContact O-N 3.11Å; K38-F68 WeakPolarHBondContact CE-O 3.42Å; K38-F68 PolarHBondContact NZ-O 2.93Å; K38-D69 WeakPolarHBondContact CE-O 3.47Å; K38-Q70 VanDerWaalsContact CA-O 3.32Å; K38-Q70 WeakPolarHBondContact CA-O 3.25Å; K38-E72 HydrophobicContact CD-CB 4.19Å | ||
| 39 | V | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 142.9 | 157.3 | -66 | 0 | 0 | 0 | 0 | 109.5 | Q70 L71 E72 L123 L131 W154 V155 L158 | V39-Q70 WeakPolarHBondContact CG2-O 3.19Å; V39-Q70 PolarHBondContact N-O 2.87Å; V39-L71 HydrophobicContact CG2-CB 4.17Å; V39-L71 HydrophobicContact CG2-CD1 4.11Å; V39-L71 HydrophobicContact CG2-CG 4.19Å; V39-L71 WeakPolarHBondContact O-CA 3.45Å; V39-E72 PolarHBondContact O-N 2.72Å; V39-L123 HydrophobicContact CB-CD1 3.73Å; V39-L123 HydrophobicContact CG1-CD1 4.37Å; V39-L123 HydrophobicContact CG2-CD1 4.1Å; V39-L131 HydrophobicContact CG1-CD1 4.06Å; V39-W154 HydrophobicContact CG1-CB 4.13Å; V39-W154 HydrophobicContact CG2-CB 4.22Å; V39-W154 HydrophobicContact CG2-CE3 4.46Å; V39-V155 HydrophobicContact CG1-CG2 4.5Å; V39-V155 HydrophobicContact CG2-CG2 4.4Å; V39-L158 HydrophobicContact CG1-CB 3.91Å; V39-L158 HydrophobicContact CG1-CD2 4.02Å; V39-L158 HydrophobicContact CG1-CG 4.49Å |
| 40 | I | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.8 | -176 | -55.1 | 165.4 | 0 | 0 | 0 | 108.7 | W12 L35 L42 E72 V74 L123 V124 | W12-I40 HydrophobicContact CZ2-CD1 4.28Å; L35-I40 HydrophobicContact CB-CD1 3.98Å; L35-I40 HydrophobicContact CD1-CD1 3.93Å; L35-I40 HydrophobicContact CD2-CD1 4.06Å; L35-I40 HydrophobicContact CD2-CG1 4.17Å; L35-I40 HydrophobicContact CG-CD1 4.21Å; I40-L42 HydrophobicContact CG2-CD2 3.82Å; I40-E72 WeakPolarHBondContact CA-O 3.48Å; I40-V74 HydrophobicContact CG2-CB 4.5Å; I40-V74 HydrophobicContact CG2-CG2 3.92Å; I40-L123 WeakPolarHBondContact O-CA 3.33Å; I40-V124 HydrophobicContact CB-CG2 3.75Å; I40-V124 HydrophobicContact CD1-CG2 4.48Å; I40-V124 HydrophobicContact CG2-CG2 4.09Å; I40-V124 PolarHBondContact N-O 3.12Å; I40-V124 PolarHBondContact O-N 3.38Å |
| 41 | L | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 107.7 | 171.2 | -57 | -163.1 | 0 | 0 | 0 | 109.3 | Y43 L59 L71 E72 I73 V74 V121 L123 I135 I139 W154 | L41-Y43 PolarHBondContact O-N 2.95Å; L41-L59 HydrophobicContact CD1-CD1 4.45Å; L41-L71 HydrophobicContact CD1-CD1 4.05Å; L41-L71 HydrophobicContact CD1-CD2 4.37Å; L41-L71 HydrophobicContact CD2-CD1 4.46Å; L41-L71 HydrophobicContact CG-CD1 4.07Å; L41-L71 HydrophobicContact CG-CD2 4.35Å; L41-L71 HydrophobicContact CG-CG 4.31Å; L41-E72 PolarHBondContact N-O 3.47Å; L41-I73 HydrophobicContact CB-CG1 3.83Å; L41-I73 HydrophobicContact CD1-CD1 4.47Å; L41-I73 HydrophobicContact CD1-CG1 4.03Å; L41-I73 HydrophobicContact CG-CG1 4.19Å; L41-I73 WeakPolarHBondContact O-CA 3.5Å; L41-V74 PolarHBondContact O-N 2.95Å; L41-V121 HydrophobicContact CB-CG1 3.92Å; L41-V121 HydrophobicContact CD1-CG1 4.28Å; L41-V121 HydrophobicContact CD2-CG1 4.41Å; L41-V121 HydrophobicContact CG-CG1 4.44Å; L41-L123 HydrophobicContact CD2-CB 4.4Å; L41-L123 HydrophobicContact CD2-CD1 3.35Å; L41-L123 HydrophobicContact CD2-CG 4.48Å; L41-I135 HydrophobicContact CD1-CD1 4.48Å; L41-I135 HydrophobicContact CD2-CD1 3.65Å; L41-I139 HydrophobicContact CD1-CD1 4.03Å; L41-W154 HydrophobicContact CD1-CH2 4.47Å; L41-W154 HydrophobicContact CD1-CZ3 4.12Å; L41-W154 HydrophobicContact CD2-CE3 4.31Å; L41-W154 HydrophobicContact CD2-CH2 4.45Å; L41-W154 HydrophobicContact CD2-CZ3 3.96Å |
| 42 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 109.1 | 169.2 | -56 | -174.2 | 0 | 0 | 0 | 108.6 | W12 I40 F44 V74 I76 Y113 V121 V122 V124 | W12-L42 HydrophobicContact CH2-CD2 3.68Å; W12-L42 HydrophobicContact CZ3-CD1 4.15Å; W12-L42 HydrophobicContact CZ3-CD2 3.74Å; I40-L42 HydrophobicContact CG2-CD2 3.82Å; L42-F44 HydrophobicContact CB-CE2 3.88Å; L42-V74 WeakPolarHBondContact CA-O 3.5Å; L42-V74 HydrophobicContact CD2-CB 3.95Å; L42-V74 HydrophobicContact CD2-CG1 4.41Å; L42-I76 HydrophobicContact CB-CD1 4.13Å; L42-I76 HydrophobicContact CD1-CD1 4.48Å; L42-I76 HydrophobicContact CD2-CD1 4.36Å; L42-Y113 HydrophobicContact CD1-CD2 3.91Å; L42-Y113 HydrophobicContact CD1-CE1 4.2Å; L42-Y113 HydrophobicContact CD1-CE2 3.29Å; L42-Y113 VanDerWaalsContact CD1-CZ 3.46Å; L42-V121 CarbonylContact O-C 3.53Å; L42-V121 VanDerWaalsContact O-CA 3.29Å; L42-V121 WeakPolarHBondContact O-CA 3.42Å; L42-V122 HydrophobicContact CB-CB 4.4Å; L42-V122 PolarHBondContact N-O 3.15Å; L42-V122 PolarHBondContact O-N 3.12Å; L42-V124 HydrophobicContact CD1-CG1 3.94Å; L42-V124 HydrophobicContact CD1-CG2 4.02Å; L42-V124 HydrophobicContact CD2-CG2 4.25Å; L42-V124 HydrophobicContact CG-CG1 4.31Å; L42-V124 HydrophobicContact CG-CG2 3.86Å |
| 43 | Y | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 104.9 | -179.3 | 176.3 | -151 | 0 | 0 | 0 | 111 | L41 T45 C52 F55 M56 L59 V74 M75 I76 P119 V121 | L41-Y43 PolarHBondContact O-N 2.95Å; Y43-T45 HydrophobicContact CE1-CG2 4.46Å; Y43-C52 PolarHBondContact OH-O 3.3Å; Y43-F55 HydrophobicContact CD2-CD1 4.36Å; Y43-F55 HydrophobicContact CD2-CE1 4.19Å; Y43-F55 HydrophobicContact CE1-CD1 4.46Å; Y43-F55 AromaticContact CE2-CD1 3.67Å; Y43-F55 HydrophobicContact CE2-CD1 3.67Å; Y43-F55 AromaticContact CE2-CE1 3.95Å; Y43-F55 HydrophobicContact CE2-CE1 3.95Å; Y43-F55 AromaticContact CZ-CD1 3.72Å; Y43-M56 HydrophobicContact CE1-CE 3.93Å; Y43-L59 HydrophobicContact CD1-CD2 3.77Å; Y43-L59 HydrophobicContact CE1-CD2 4.21Å; Y43-L59 HydrophobicContact CG-CD2 4.26Å; Y43-V74 PolarHBondContact N-O 3.44Å; Y43-M75 HydrophobicContact CD1-CE 4.31Å; Y43-M75 HydrophobicContact CD1-CG 4.21Å; Y43-M75 HydrophobicContact CE1-CE 4.32Å; Y43-M75 WeakPolarHBondContact O-CA 3.45Å; Y43-I76 PolarHBondContact O-N 3.01Å; Y43-P119 HydrophobicContact CE2-CB 3.68Å; Y43-V121 HydrophobicContact CD2-CG2 3.85Å; Y43-V121 HydrophobicContact CG-CG2 4.33Å |
| 44 | F | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.9 | 175.7 | -64.7 | -97.7 | 0 | 0 | 0 | 110.6 | L42 I76 V78 L109 M110 Y113 V115 I118 P119 V120 V122 | L42-F44 HydrophobicContact CB-CE2 3.88Å; F44-I76 WeakPolarHBondContact CA-O 3.33Å; F44-I76 HydrophobicContact CD1-CB 4.05Å; F44-I76 HydrophobicContact CD1-CD1 4.35Å; F44-I76 HydrophobicContact CD1-CG2 3.98Å; F44-I76 HydrophobicContact CE1-CB 4.19Å; F44-I76 HydrophobicContact CE1-CD1 3.75Å; F44-I76 HydrophobicContact CE1-CG2 3.95Å; F44-I76 HydrophobicContact CE2-CD1 4.04Å; F44-I76 HydrophobicContact CZ-CD1 3.56Å; F44-V78 HydrophobicContact CD1-CG1 4.36Å; F44-L109 HydrophobicContact CE1-CB 4.22Å; F44-L109 HydrophobicContact CZ-CB 4.37Å; F44-M110 HydrophobicContact CD1-CG 4.04Å; F44-M110 HydrophobicContact CE1-CG 4.02Å; F44-Y113 HydrophobicContact CE2-CD2 4.34Å; F44-Y113 AromaticContact CZ-CD2 3.83Å; F44-Y113 HydrophobicContact CZ-CD2 3.83Å; F44-Y113 HydrophobicContact CZ-CG 4.47Å; F44-V115 HydrophobicContact CB-CG1 4.05Å; F44-V115 HydrophobicContact CD1-CB 4.45Å; F44-V115 HydrophobicContact CD1-CG1 4.19Å; F44-V115 HydrophobicContact CD1-CG2 4.11Å; F44-V115 HydrophobicContact CD2-CG2 3.79Å; F44-V115 HydrophobicContact CE1-CG2 4.11Å; F44-V115 HydrophobicContact CE2-CG2 3.8Å; F44-V115 HydrophobicContact CG-CG1 4.03Å; F44-V115 HydrophobicContact CG-CG2 3.95Å; F44-V115 HydrophobicContact CZ-CG2 3.96Å; F44-I118 HydrophobicContact CB-CG2 3.99Å; F44-P119 WeakPolarHBondContact O-CA 3.47Å; F44-V120 PolarHBondContact N-O 2.96Å; F44-V120 PolarHBondContact O-N 3.47Å; F44-V122 HydrophobicContact CE2-CG2 4.25Å |
| 45 | T | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 175.3 | -171.5 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | Y43 C52 M75 I76 C77 V78 Y88 L89 | Y43-T45 HydrophobicContact CE1-CG2 4.46Å; T45-C52 VanDerWaalsContact OG1-CB 3.27Å; T45-C52 WeakPolarHBondContact OG1-CB 3.41Å; T45-M75 HydrophobicContact CG2-CE 3.9Å; T45-I76 PolarHBondContact N-O 2.87Å; T45-C77 CarbonylContact O-C 3.58Å; T45-C77 WeakPolarHBondContact O-CA 3.34Å; T45-V78 PolarHBondContact O-N 2.84Å; T45-Y88 HydrophobicContact CG2-CE1 3.7Å; T45-Y88 PolarHBondContact OG1-OH 3.19Å; T45-L89 HydrophobicContact CG2-CD2 4.36Å |
| 46 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -152.7 | 158.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W48 C49 V78 D79 Y88 I118 | A46-W48 HydrophobicContact CB-CD2 3.91Å; A46-W48 VanDerWaalsContact CB-CE2 3.41Å; A46-W48 HydrophobicContact CB-CG 4.28Å; A46-W48 HydrophobicContact CB-CH2 4.32Å; A46-W48 HydrophobicContact CB-CZ2 3.66Å; A46-C49 HydrophobicContact CB-CB 3.92Å; A46-C49 PolarHBondContact O-N 3.19Å; A46-V78 HydrophobicContact CB-CG2 3.94Å; A46-D79 WeakPolarHBondContact CA-OD1 3.37Å; A46-D79 VanDerWaalsContact CB-OD1 3.25Å; A46-D79 WeakPolarHBondContact CB-OD1 3.26Å; A46-Y88 PolarHBondContact O-OH 2.86Å; A46-I118 HydrophobicContact CB-CD1 3.29Å | ||
| 47 | S | 96.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.2 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | C49 D79 Y88 | S47-C49 VanDerWaalsContact C-N 3.31Å; S47-D79 WeakPolarHBondContact CB-OD2 3.37Å; S47-D79 PolarHBondContact N-OD1 3.43Å; S47-D79 VanDerWaalsContact N-OD1 3.09Å; S47-D79 PolarHBondContact N-OD2 3.23Å; S47-D79 PolarHBondContact OG-OD2 3.32Å; S47-Y88 VanDerWaalsContact CA-CD2 3.42Å; S47-Y88 VanDerWaalsContact CA-CE2 3.43Å; S47-Y88 VanDerWaalsContact CB-CD2 3.44Å |
| 48 | W | 96.4 | Very high | 96.6 | Very high | 174 Ų | 174 | 40.7 Ų | 40.7 | 66% | 0.659 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.7 | 179.4 | 49 | -94.8 | 0 | 0 | 0 | 113.2 | A46 V78 D79 I118 | A46-W48 HydrophobicContact CB-CD2 3.91Å; A46-W48 VanDerWaalsContact CB-CE2 3.41Å; A46-W48 HydrophobicContact CB-CG 4.28Å; A46-W48 HydrophobicContact CB-CH2 4.32Å; A46-W48 HydrophobicContact CB-CZ2 3.66Å; W48-V78 HydrophobicContact CZ2-CG2 4.18Å; W48-D79 PolarHBondContact NE1-OD1 3.42Å; W48-I118 HydrophobicContact CH2-CD1 3.72Å; W48-I118 HydrophobicContact CH2-CG1 4.29Å; W48-I118 HydrophobicContact CZ2-CD1 4Å; W48-I118 HydrophobicContact CZ3-CD1 4.26Å |
| 49 | C | 97 | Very high | 96.7 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -97.5 | 97.4 | -171.7 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | A46 S47 A51 C52 E53 I118 | A46-C49 HydrophobicContact CB-CB 3.92Å; A46-C49 PolarHBondContact O-N 3.19Å; S47-C49 VanDerWaalsContact C-N 3.31Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.01Å; C49-C52 HydrophobicContact CB-CB 3.64Å; C49-C52 WeakPolarHBondContact CB-SG 3.42Å; C49-C52 VanDerWaalsContact O-CB 3.3Å; C49-C52 WeakPolarHBondContact O-CB 3.47Å; C49-C52 PolarHBondContact O-N 3.43Å; C49-C52 WeakPolarHBondContact SG-CB 3.46Å; C49-C52 PolarHBondContact SG-N 2.87Å; C49-C52 CovalentContact SG-SG 2.05Å; C49-C52 PolarHBondContact SG-SG 3.05Å; C49-E53 PolarHBondContact O-N 3.01Å; C49-I118 HydrophobicContact CB-CD1 3.81Å; C49-I118 HydrophobicContact CB-CG1 4.47Å | ||
| 50 | S | 96.5 | Very high | 96.7 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.5 | -35.6 | 178.3 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | C52 E53 K54 | S50-C52 VanDerWaalsContact C-N 3.25Å; S50-C52 PolarHBondContact O-N 3.24Å; S50-E53 PolarHBondContact O-N 2.9Å; S50-K54 PolarHBondContact O-N 3.47Å |
| 51 | A | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 41% | 0.405 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C49 F55 | C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.01Å; A51-F55 PolarHBondContact O-N 2.7Å |
| 52 | C | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -38.5 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | Y43 T45 C49 S50 F55 M56 P119 | Y43-C52 PolarHBondContact OH-O 3.3Å; T45-C52 VanDerWaalsContact OG1-CB 3.27Å; T45-C52 WeakPolarHBondContact OG1-CB 3.41Å; C49-C52 HydrophobicContact CB-CB 3.64Å; C49-C52 WeakPolarHBondContact CB-SG 3.42Å; C49-C52 VanDerWaalsContact O-CB 3.3Å; C49-C52 WeakPolarHBondContact O-CB 3.47Å; C49-C52 PolarHBondContact O-N 3.43Å; C49-C52 WeakPolarHBondContact SG-CB 3.46Å; C49-C52 PolarHBondContact SG-N 2.87Å; C49-C52 CovalentContact SG-SG 2.05Å; C49-C52 PolarHBondContact SG-SG 3.05Å; S50-C52 VanDerWaalsContact C-N 3.25Å; S50-C52 PolarHBondContact O-N 3.24Å; C52-F55 PolarHBondContact O-N 3.18Å; C52-M56 VanDerWaalsContact O-CB 3.3Å; C52-M56 WeakPolarHBondContact O-CB 3.39Å; C52-M56 PolarHBondContact O-N 3.41Å; C52-P119 HydrophobicContact CB-CB 4.32Å |
| 53 | E | 95.2 | Very high | 96.4 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 172.7 | -65 | -56.9 | 132.1 | 0 | 0 | 111.6 | C49 S50 F55 M56 E57 Y88 K92 | C49-E53 PolarHBondContact O-N 3.01Å; S50-E53 PolarHBondContact O-N 2.9Å; E53-F55 VanDerWaalsContact C-N 3.33Å; E53-F55 PolarHBondContact O-N 3.39Å; E53-M56 WeakPolarHBondContact O-CB 3.28Å; E53-M56 PolarHBondContact O-N 3.44Å; E53-M56 VanDerWaalsContact O-N 3.09Å; E53-E57 PolarHBondContact O-N 2.94Å; E53-Y88 WeakPolarHBondContact OE1-CE2 3.37Å; E53-Y88 PolarHBondContact OE1-OH 3.39Å; E53-K92 WeakPolarHBondContact OE1-CE 3.43Å; E53-K92 IonicContact OE1-NZ 3.47Å; E53-K92 PolarHBondContact OE1-NZ 3.28Å; E53-K92 IonicContact OE2-NZ 2.72Å; E53-K92 PolarHBondContact OE2-NZ 3.23Å |
| 54 | K | 96.2 | Very high | 96.1 | Very high | 148 Ų | 148 | 50.2 Ų | 50.2 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.7 | -43.9 | 175.9 | -68.3 | 180 | -179.4 | -179.6 | 0 | 112.2 | S50 M56 E57 | S50-K54 PolarHBondContact O-N 3.47Å; K54-M56 VanDerWaalsContact C-N 3.31Å; K54-M56 PolarHBondContact O-N 3.32Å; K54-E57 PolarHBondContact O-N 3.33Å |
| 55 | F | 97.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -33.6 | 177 | 177.7 | -108.1 | 0 | 0 | 0 | 112.1 | Y43 A51 C52 E53 E57 K58 L59 P119 V121 R136 I139 A140 | Y43-F55 HydrophobicContact CD2-CD1 4.36Å; Y43-F55 HydrophobicContact CD2-CE1 4.19Å; Y43-F55 HydrophobicContact CE1-CD1 4.46Å; Y43-F55 AromaticContact CE2-CD1 3.67Å; Y43-F55 HydrophobicContact CE2-CD1 3.67Å; Y43-F55 AromaticContact CE2-CE1 3.95Å; Y43-F55 HydrophobicContact CE2-CE1 3.95Å; Y43-F55 AromaticContact CZ-CD1 3.72Å; A51-F55 PolarHBondContact O-N 2.7Å; C52-F55 PolarHBondContact O-N 3.18Å; E53-F55 VanDerWaalsContact C-N 3.33Å; E53-F55 PolarHBondContact O-N 3.39Å; F55-E57 VanDerWaalsContact C-N 3.27Å; F55-E57 PolarHBondContact O-N 2.88Å; F55-K58 HydrophobicContact CD2-CB 4.42Å; F55-K58 CarbonylContact O-C 3.47Å; F55-K58 WeakPolarHBondContact O-CA 3.38Å; F55-K58 WeakPolarHBondContact O-CB 3.35Å; F55-K58 PolarHBondContact O-N 3.22Å; F55-K58 VanDerWaalsContact O-N 3.07Å; F55-L59 HydrophobicContact CE1-CB 4.23Å; F55-L59 HydrophobicContact CE1-CD2 4.27Å; F55-L59 HydrophobicContact CZ-CB 4.33Å; F55-L59 PolarHBondContact O-N 2.94Å; F55-P119 HydrophobicContact CB-CB 4.33Å; F55-P119 HydrophobicContact CB-CG 3.94Å; F55-P119 HydrophobicContact CD1-CB 4.13Å; F55-P119 HydrophobicContact CG-CB 4.44Å; F55-P119 HydrophobicContact CG-CG 4.38Å; F55-V121 HydrophobicContact CD1-CG2 4.48Å; F55-V121 HydrophobicContact CE1-CG2 3.36Å; F55-V121 HydrophobicContact CZ-CG2 3.63Å; F55-R136 HydrophobicContact CD1-CG 4.19Å; F55-R136 HydrophobicContact CD2-CG 3.45Å; F55-R136 VanDerWaalsContact CD2-CG 3.45Å; F55-R136 HydrophobicContact CE1-CG 4.08Å; F55-R136 HydrophobicContact CE2-CB 4.29Å; F55-R136 HydrophobicContact CE2-CG 3.31Å; F55-R136 WeakPolarHBondContact CE2-O 3.3Å; F55-R136 HydrophobicContact CG-CG 3.9Å; F55-R136 HydrophobicContact CZ-CB 4.35Å; F55-R136 HydrophobicContact CZ-CG 3.65Å; F55-I139 HydrophobicContact CE2-CB 4.12Å; F55-I139 HydrophobicContact CE2-CG2 3.86Å; F55-I139 HydrophobicContact CZ-CB 4.13Å; F55-I139 HydrophobicContact CZ-CD1 4.22Å; F55-I139 HydrophobicContact CZ-CG2 3.85Å; F55-A140 HydrophobicContact CD2-CB 4.34Å; F55-A140 HydrophobicContact CE2-CB 4.26Å |
| 56 | M | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 177.8 | -166.6 | 176.9 | -63.2 | 0 | 0 | 112.3 | Y43 C52 E53 K54 L59 K60 M75 Y88 K92 W96 | Y43-M56 HydrophobicContact CE1-CE 3.93Å; C52-M56 VanDerWaalsContact O-CB 3.3Å; C52-M56 WeakPolarHBondContact O-CB 3.39Å; C52-M56 PolarHBondContact O-N 3.41Å; E53-M56 WeakPolarHBondContact O-CB 3.28Å; E53-M56 PolarHBondContact O-N 3.44Å; E53-M56 VanDerWaalsContact O-N 3.09Å; K54-M56 VanDerWaalsContact C-N 3.31Å; K54-M56 PolarHBondContact O-N 3.32Å; M56-L59 PolarHBondContact O-N 3.13Å; M56-K60 WeakPolarHBondContact O-CB 2.82Å; M56-K60 VanDerWaalsContact O-CG 3.29Å; M56-K60 WeakPolarHBondContact O-CG 3.48Å; M56-K60 PolarHBondContact O-N 2.94Å; M56-M75 HydrophobicContact CE-CE 3.48Å; M56-M75 VanDerWaalsContact CE-CE 3.48Å; M56-M75 HydrophobicContact SD-CE 4.49Å; M56-Y88 WeakPolarHBondContact CE-OH 3.35Å; M56-K92 HydrophobicContact CE-CB 4.13Å; M56-K92 HydrophobicContact CE-CD 4.05Å; M56-K92 HydrophobicContact CE-CG 3.8Å; M56-K92 HydrophobicContact SD-CB 3.69Å; M56-K92 HydrophobicContact SD-CD 3.71Å; M56-K92 HydrophobicContact SD-CG 3.78Å; M56-W96 HydrophobicContact CG-CH2 4.21Å; M56-W96 HydrophobicContact CG-CZ3 3.95Å |
| 57 | E | 95.4 | Very high | 94.8 | Very high | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 171.5 | -66.5 | 174.7 | 178.4 | 0 | 0 | 111.4 | E53 K54 F55 L59 K60 E61 | E53-E57 PolarHBondContact O-N 2.94Å; K54-E57 PolarHBondContact O-N 3.33Å; F55-E57 VanDerWaalsContact C-N 3.27Å; F55-E57 PolarHBondContact O-N 2.88Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 2.83Å; E57-K60 WeakPolarHBondContact O-CB 3.41Å; E57-K60 PolarHBondContact O-N 2.98Å; E57-E61 PolarHBondContact O-N 3.02Å |
| 58 | K | 95.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 59.1 Ų | 59.1 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 174.9 | -65 | -55.1 | -175 | -177.8 | 0 | 113.2 | F55 E61 F62 | F55-K58 HydrophobicContact CD2-CB 4.42Å; F55-K58 CarbonylContact O-C 3.47Å; F55-K58 WeakPolarHBondContact O-CA 3.38Å; F55-K58 WeakPolarHBondContact O-CB 3.35Å; F55-K58 PolarHBondContact O-N 3.22Å; F55-K58 VanDerWaalsContact O-N 3.07Å; K58-E61 IonicContact NZ-OE2 3.04Å; K58-E61 PolarHBondContact NZ-OE2 3.11Å; K58-E61 PolarHBondContact O-N 2.91Å; K58-F62 WeakPolarHBondContact O-CB 3.37Å; K58-F62 PolarHBondContact O-N 3.35Å |
| 59 | L | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.2 | -36.8 | 175.3 | -174 | 61.1 | 0 | 0 | 0 | 111.7 | L41 Y43 F55 M56 E57 T63 I73 W96 I139 | L41-L59 HydrophobicContact CD1-CD1 4.45Å; Y43-L59 HydrophobicContact CD1-CD2 3.77Å; Y43-L59 HydrophobicContact CE1-CD2 4.21Å; Y43-L59 HydrophobicContact CG-CD2 4.26Å; F55-L59 HydrophobicContact CE1-CB 4.23Å; F55-L59 HydrophobicContact CE1-CD2 4.27Å; F55-L59 HydrophobicContact CZ-CB 4.33Å; F55-L59 PolarHBondContact O-N 2.94Å; M56-L59 PolarHBondContact O-N 3.13Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 2.83Å; L59-T63 HydrophobicContact CD1-CG2 4.11Å; L59-T63 HydrophobicContact CG-CG2 4.39Å; L59-T63 WeakPolarHBondContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CG2 3.47Å; L59-T63 PolarHBondContact O-N 3.44Å; L59-T63 PolarHBondContact O-OG1 2.89Å; L59-I73 HydrophobicContact CD1-CD1 4.02Å; L59-I73 HydrophobicContact CD2-CD1 4.16Å; L59-I73 HydrophobicContact CD2-CG2 4.5Å; L59-I73 HydrophobicContact CG-CD1 4.12Å; L59-W96 HydrophobicContact CB-CH2 3.8Å; L59-W96 HydrophobicContact CB-CZ2 4.35Å; L59-W96 HydrophobicContact CD2-CE3 4.37Å; L59-W96 HydrophobicContact CD2-CH2 3.53Å; L59-W96 HydrophobicContact CD2-CZ2 4.1Å; L59-W96 HydrophobicContact CD2-CZ3 3.68Å; L59-W96 HydrophobicContact CG-CH2 3.45Å; L59-W96 VanDerWaalsContact CG-CH2 3.45Å; L59-W96 HydrophobicContact CG-CZ2 3.72Å; L59-W96 HydrophobicContact CG-CZ3 4.15Å; L59-I139 HydrophobicContact CD1-CD1 4.07Å; L59-I139 HydrophobicContact CD1-CG2 3.93Å |
| 60 | K | 94.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 171.6 | -73.2 | 171.7 | -178.3 | 178.1 | 0 | 111.2 | M56 E57 T63 G64 K92 W96 | M56-K60 WeakPolarHBondContact O-CB 2.82Å; M56-K60 VanDerWaalsContact O-CG 3.29Å; M56-K60 WeakPolarHBondContact O-CG 3.48Å; M56-K60 PolarHBondContact O-N 2.94Å; E57-K60 WeakPolarHBondContact O-CB 3.41Å; E57-K60 PolarHBondContact O-N 2.98Å; K60-T63 PolarHBondContact O-N 3.41Å; K60-T63 PolarHBondContact O-OG1 3.49Å; K60-G64 PolarHBondContact O-N 2.89Å; K60-K92 PolarHBondContact NZ-O 3.07Å; K60-W96 HydrophobicContact CG-CH2 3.78Å; K60-W96 HydrophobicContact CG-CZ2 4.02Å |
| 61 | E | 94.3 | Very high | 93.7 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 175 | -172.3 | -178.9 | 172.9 | 0 | 0 | 111.5 | E57 K58 T63 G64 | E57-E61 PolarHBondContact O-N 3.02Å; K58-E61 IonicContact NZ-OE2 3.04Å; K58-E61 PolarHBondContact NZ-OE2 3.11Å; K58-E61 PolarHBondContact O-N 2.91Å; E61-T63 PolarHBondContact O-N 2.95Å; E61-G64 PolarHBondContact O-N 3.16Å |
| 62 | F | 95.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.8 | -50.6 | 176.2 | 179.9 | -83.7 | 0 | 0 | 0 | 111.6 | K58 G64 Q65 I66 I139 S142 A147 I150 V151 W154 | K58-F62 WeakPolarHBondContact O-CB 3.37Å; K58-F62 PolarHBondContact O-N 3.35Å; F62-G64 VanDerWaalsContact C-N 3.33Å; F62-G64 PolarHBondContact O-N 2.81Å; F62-Q65 PolarHBondContact O-N 3.08Å; F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CE1-CD1 4.07Å; F62-I139 HydrophobicContact CB-CG2 3.8Å; F62-I139 HydrophobicContact CD2-CB 4.18Å; F62-I139 HydrophobicContact CD2-CG1 4.19Å; F62-I139 HydrophobicContact CD2-CG2 3.86Å; F62-I139 HydrophobicContact CE2-CG1 4.17Å; F62-I139 HydrophobicContact CG-CG2 3.84Å; F62-I139 HydrophobicContact CZ-CG1 4.45Å; F62-S142 WeakPolarHBondContact CD2-OG 2.78Å; F62-A147 HydrophobicContact CD1-CB 4.5Å; F62-A147 HydrophobicContact CD2-CB 3.84Å; F62-A147 HydrophobicContact CE2-CB 3.85Å; F62-A147 HydrophobicContact CG-CB 4.14Å; F62-A147 HydrophobicContact CZ-CB 4.21Å; F62-A147 WeakPolarHBondContact O-CB 3.47Å; F62-I150 HydrophobicContact CE2-CB 4.33Å; F62-I150 HydrophobicContact CE2-CD1 4.14Å; F62-I150 HydrophobicContact CE2-CG2 4.16Å; F62-I150 HydrophobicContact CZ-CB 4.35Å; F62-I150 HydrophobicContact CZ-CG2 4.03Å; F62-V151 HydrophobicContact CE1-CG2 3.73Å; F62-V151 HydrophobicContact CZ-CG2 3.75Å; F62-W154 HydrophobicContact CE1-CH2 4.19Å; F62-W154 HydrophobicContact CE1-CZ3 4.04Å; F62-W154 HydrophobicContact CE2-CH2 4.36Å; F62-W154 AromaticContact CZ-CH2 3.64Å; F62-W154 HydrophobicContact CZ-CH2 3.64Å; F62-W154 AromaticContact CZ-CZ3 3.78Å; F62-W154 HydrophobicContact CZ-CZ3 3.78Å |
| 63 | T | 94 | Very high | 93.6 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.5 | -22.1 | -174.8 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | L59 K60 E61 Q65 I66 F68 I73 W96 | L59-T63 HydrophobicContact CD1-CG2 4.11Å; L59-T63 HydrophobicContact CG-CG2 4.39Å; L59-T63 WeakPolarHBondContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CG2 3.47Å; L59-T63 PolarHBondContact O-N 3.44Å; L59-T63 PolarHBondContact O-OG1 2.89Å; K60-T63 PolarHBondContact O-N 3.41Å; K60-T63 PolarHBondContact O-OG1 3.49Å; E61-T63 PolarHBondContact O-N 2.95Å; T63-Q65 PolarHBondContact O-N 3.28Å; T63-I66 HydrophobicContact CG2-CD1 4.31Å; T63-I66 WeakPolarHBondContact O-CG1 3.36Å; T63-I66 PolarHBondContact O-N 3.46Å; T63-F68 HydrophobicContact CG2-CE1 4.47Å; T63-F68 HydrophobicContact CG2-CZ 4.15Å; T63-I73 HydrophobicContact CG2-CD1 3.36Å; T63-W96 HydrophobicContact CG2-CZ2 4.12Å |
| 64 | G | 92.8 | Very high | 93.7 | Very high | 59 Ų | 59 | 50 Ų | 50 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63 | -18.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K60 E61 F62 | K60-G64 PolarHBondContact O-N 2.89Å; E61-G64 PolarHBondContact O-N 3.16Å; F62-G64 VanDerWaalsContact C-N 3.33Å; F62-G64 PolarHBondContact O-N 2.81Å |
| 65 | Q | 91 | Very high | 93.8 | Very high | 84 Ų | 84 | 43 Ų | 43 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 0.3 | -178.8 | -57.6 | -56.4 | -48.2 | 0 | 0 | 113.8 | F62 T63 A147 K148 | F62-Q65 PolarHBondContact O-N 3.08Å; T63-Q65 PolarHBondContact O-N 3.28Å; Q65-A147 HydrophobicContact CB-CB 3.86Å; Q65-K148 WeakPolarHBondContact O-CD 3.47Å; Q65-K148 WeakPolarHBondContact O-CE 3.27Å; Q65-K148 WeakPolarHBondContact O-CG 3.44Å |
| 66 | I | 90.7 | Very high | 93.7 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -124.9 | 166 | -173.9 | 71.4 | 178 | 0 | 0 | 0 | 112.1 | F62 T63 L71 A147 K148 V151 | F62-I66 HydrophobicContact CD1-CD1 4.36Å; F62-I66 HydrophobicContact CE1-CD1 4.07Å; T63-I66 HydrophobicContact CG2-CD1 4.31Å; T63-I66 WeakPolarHBondContact O-CG1 3.36Å; T63-I66 PolarHBondContact O-N 3.46Å; I66-L71 HydrophobicContact CD1-CB 4.36Å; I66-L71 HydrophobicContact CD1-CD1 3.92Å; I66-L71 HydrophobicContact CD1-CD2 3.97Å; I66-L71 HydrophobicContact CD1-CG 4.32Å; I66-A147 HydrophobicContact CG2-CB 3.9Å; I66-K148 HydrophobicContact CG2-CG 4.28Å; I66-V151 HydrophobicContact CB-CG2 4.46Å; I66-V151 HydrophobicContact CD1-CG2 3.84Å; I66-V151 HydrophobicContact CG2-CG2 3.9Å |
| 67 | N | 85 | Confident | 93.8 | Very high | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | trans | -95.4 | 137.8 | 168.4 | -169.2 | -5.5 | 0 | 0 | 0 | 109.9 | D69 | N67-D69 VanDerWaalsContact ND2-CG 3.31Å; N67-D69 PolarHBondContact ND2-OD2 2.71Å; N67-D69 PolarHBondContact O-N 3.22Å; N67-D69 VanDerWaalsContact OD1-CG 3.32Å; N67-D69 PolarHBondContact OD1-N 2.99Å; N67-D69 PolarHBondContact OD1-OD1 3.49Å; N67-D69 PolarHBondContact OD1-OD2 2.66Å | ||
| 68 | F | 88.5 | Confident | 93.9 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.7 | 179.4 | -74.1 | -91 | 0 | 0 | 0 | 113.4 | K38 T63 Q70 L71 I73 K95 W96 | K38-F68 WeakPolarHBondContact CE-O 3.42Å; K38-F68 PolarHBondContact NZ-O 2.93Å; T63-F68 HydrophobicContact CG2-CE1 4.47Å; T63-F68 HydrophobicContact CG2-CZ 4.15Å; F68-Q70 PolarHBondContact O-N 2.87Å; F68-L71 HydrophobicContact CD1-CD2 4.41Å; F68-L71 WeakPolarHBondContact CD1-O 3.34Å; F68-L71 HydrophobicContact CE1-CD2 4.37Å; F68-L71 VanDerWaalsContact O-O 3.1Å; F68-I73 HydrophobicContact CE1-CD1 4.47Å; F68-K95 HydrophobicContact CD2-CD 4.26Å; F68-K95 HydrophobicContact CE2-CB 4.47Å; F68-K95 HydrophobicContact CE2-CD 3.78Å; F68-K95 HydrophobicContact CZ-CB 4.26Å; F68-K95 HydrophobicContact CZ-CD 4.31Å; F68-W96 AromaticContact CE1-CD1 3.69Å; F68-W96 AromaticContact CE1-NE1 3.75Å; F68-W96 AromaticContact CZ-CD1 3.91Å; F68-W96 AromaticContact CZ-NE1 3.6Å |
| 69 | D | 89.6 | Confident | 94 | Very high | 111 Ų | 111 | 34.1 Ų | 34.1 | 59% | 0.594 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.5 | 173.2 | -66.4 | -12.6 | 0 | 0 | 0 | 112.3 | K38 N67 | K38-D69 WeakPolarHBondContact CE-O 3.47Å; N67-D69 VanDerWaalsContact ND2-CG 3.31Å; N67-D69 PolarHBondContact ND2-OD2 2.71Å; N67-D69 PolarHBondContact O-N 3.22Å; N67-D69 VanDerWaalsContact OD1-CG 3.32Å; N67-D69 PolarHBondContact OD1-N 2.99Å; N67-D69 PolarHBondContact OD1-OD1 3.49Å; N67-D69 PolarHBondContact OD1-OD2 2.66Å |
| 70 | Q | 90.5 | Very high | 93.9 | Very high | 83 Ų | 83 | 38.4 Ų | 38.4 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -117.6 | -2.9 | -176.2 | -63.8 | -179.8 | -29.6 | 0 | 0 | 114.1 | K38 V39 F68 V155 | K38-Q70 VanDerWaalsContact CA-O 3.32Å; K38-Q70 WeakPolarHBondContact CA-O 3.25Å; V39-Q70 WeakPolarHBondContact CG2-O 3.19Å; V39-Q70 PolarHBondContact N-O 2.87Å; F68-Q70 PolarHBondContact O-N 2.87Å; Q70-V155 HydrophobicContact CB-CG2 3.78Å; Q70-V155 HydrophobicContact CG-CG2 4.48Å |
| 71 | L | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.1 | -175.6 | -177.8 | 148.7 | 0 | 0 | 0 | 110.7 | V39 L41 I66 F68 I73 V151 W154 | V39-L71 HydrophobicContact CG2-CB 4.17Å; V39-L71 HydrophobicContact CG2-CD1 4.11Å; V39-L71 HydrophobicContact CG2-CG 4.19Å; V39-L71 WeakPolarHBondContact O-CA 3.45Å; L41-L71 HydrophobicContact CD1-CD1 4.05Å; L41-L71 HydrophobicContact CD1-CD2 4.37Å; L41-L71 HydrophobicContact CD2-CD1 4.46Å; L41-L71 HydrophobicContact CG-CD1 4.07Å; L41-L71 HydrophobicContact CG-CD2 4.35Å; L41-L71 HydrophobicContact CG-CG 4.31Å; I66-L71 HydrophobicContact CD1-CB 4.36Å; I66-L71 HydrophobicContact CD1-CD1 3.92Å; I66-L71 HydrophobicContact CD1-CD2 3.97Å; I66-L71 HydrophobicContact CD1-CG 4.32Å; F68-L71 HydrophobicContact CD1-CD2 4.41Å; F68-L71 WeakPolarHBondContact CD1-O 3.34Å; F68-L71 HydrophobicContact CE1-CD2 4.37Å; F68-L71 VanDerWaalsContact O-O 3.1Å; L71-I73 HydrophobicContact CD2-CD1 4.2Å; L71-I73 HydrophobicContact CD2-CG1 3.92Å; L71-V151 HydrophobicContact CB-CG1 4.3Å; L71-V151 HydrophobicContact CD1-CG1 4.15Å; L71-V151 HydrophobicContact CD1-CG2 3.72Å; L71-W154 HydrophobicContact CD1-CE3 4.02Å; L71-W154 HydrophobicContact CD1-CZ3 3.83Å |
| 72 | E | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.1 | 167.4 | -172.4 | 55.3 | -104.3 | 0 | 0 | 111 | K20 M34 L35 K38 V39 I40 L41 A97 | K20-E72 IonicContact NZ-OE1 2.66Å; K20-E72 PolarHBondContact NZ-OE1 3.43Å; K20-E72 IonicContact NZ-OE2 3.82Å; K20-E72 PolarHBondContact NZ-OE2 3.13Å; M34-E72 HydrophobicContact CE-CG 3.59Å; M34-E72 WeakPolarHBondContact CE-OE2 3.36Å; L35-E72 HydrophobicContact CD2-CB 4.03Å; L35-E72 HydrophobicContact CD2-CG 3.84Å; K38-E72 HydrophobicContact CD-CB 4.19Å; V39-E72 PolarHBondContact O-N 2.72Å; I40-E72 WeakPolarHBondContact CA-O 3.48Å; L41-E72 PolarHBondContact N-O 3.47Å; E72-A97 PolarHBondContact OE1-N 3.4Å |
| 73 | I | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.1 | 170.8 | -70.8 | 158.1 | 0 | 0 | 0 | 108 | L41 L59 T63 F68 L71 M75 W96 A97 | L41-I73 HydrophobicContact CB-CG1 3.83Å; L41-I73 HydrophobicContact CD1-CD1 4.47Å; L41-I73 HydrophobicContact CD1-CG1 4.03Å; L41-I73 HydrophobicContact CG-CG1 4.19Å; L41-I73 WeakPolarHBondContact O-CA 3.5Å; L59-I73 HydrophobicContact CD1-CD1 4.02Å; L59-I73 HydrophobicContact CD2-CD1 4.16Å; L59-I73 HydrophobicContact CD2-CG2 4.5Å; L59-I73 HydrophobicContact CG-CD1 4.12Å; T63-I73 HydrophobicContact CG2-CD1 3.36Å; F68-I73 HydrophobicContact CE1-CD1 4.47Å; L71-I73 HydrophobicContact CD2-CD1 4.2Å; L71-I73 HydrophobicContact CD2-CG1 3.92Å; I73-M75 HydrophobicContact CG2-CG 4.21Å; I73-W96 HydrophobicContact CB-CB 4.01Å; I73-W96 HydrophobicContact CB-CD2 4.19Å; I73-W96 HydrophobicContact CB-CG 3.82Å; I73-W96 HydrophobicContact CD1-CD2 3.91Å; I73-W96 HydrophobicContact CD1-CG 4.08Å; I73-W96 HydrophobicContact CD1-CZ2 4.02Å; I73-W96 HydrophobicContact CG2-CB 4.03Å; I73-W96 HydrophobicContact CG2-CD2 3.94Å; I73-W96 HydrophobicContact CG2-CE3 4.04Å; I73-W96 HydrophobicContact CG2-CG 3.95Å; I73-A97 WeakPolarHBondContact O-CA 3.14Å; I73-A97 PolarHBondContact O-N 2.64Å; I73-A97 VanDerWaalsContact O-O 3.11Å |
| 74 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.7 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | L18 I40 L41 L42 Y43 I76 A97 L99 | L18-V74 HydrophobicContact CD1-CG2 4.42Å; L18-V74 HydrophobicContact CD2-CB 4.46Å; L18-V74 HydrophobicContact CD2-CG1 3.55Å; L18-V74 HydrophobicContact CD2-CG2 4.03Å; I40-V74 HydrophobicContact CG2-CB 4.5Å; I40-V74 HydrophobicContact CG2-CG2 3.92Å; L41-V74 PolarHBondContact O-N 2.95Å; L42-V74 WeakPolarHBondContact CA-O 3.5Å; L42-V74 HydrophobicContact CD2-CB 3.95Å; L42-V74 HydrophobicContact CD2-CG1 4.41Å; Y43-V74 PolarHBondContact N-O 3.44Å; V74-I76 HydrophobicContact CG1-CG1 4.47Å; V74-A97 WeakPolarHBondContact CA-O 3.42Å; V74-A97 HydrophobicContact CG2-CB 4.25Å; V74-L99 HydrophobicContact CG1-CB 4.26Å; V74-L99 HydrophobicContact CG1-CD1 4.42Å |
| 75 | M | 97.8 | Very high | 94 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 134.3 | 174.6 | -59.7 | -179.4 | 66 | 0 | 0 | 110.7 | Y43 T45 M56 I73 Y88 L89 K92 W96 A97 W98 L99 | Y43-M75 HydrophobicContact CD1-CE 4.31Å; Y43-M75 HydrophobicContact CD1-CG 4.21Å; Y43-M75 HydrophobicContact CE1-CE 4.32Å; Y43-M75 WeakPolarHBondContact O-CA 3.45Å; T45-M75 HydrophobicContact CG2-CE 3.9Å; M56-M75 HydrophobicContact CE-CE 3.48Å; M56-M75 VanDerWaalsContact CE-CE 3.48Å; M56-M75 HydrophobicContact SD-CE 4.49Å; I73-M75 HydrophobicContact CG2-CG 4.21Å; M75-Y88 HydrophobicContact CE-CE1 4.42Å; M75-L89 HydrophobicContact CB-CD2 3.55Å; M75-L89 HydrophobicContact CE-CD2 3.85Å; M75-L89 HydrophobicContact SD-CD2 4.36Å; M75-K92 HydrophobicContact CE-CB 3.94Å; M75-K92 HydrophobicContact CE-CG 4.06Å; M75-K92 HydrophobicContact SD-CB 4.15Å; M75-W96 HydrophobicContact CG-CE3 4.16Å; M75-W96 HydrophobicContact SD-CE3 3.74Å; M75-W96 HydrophobicContact SD-CZ3 4.36Å; M75-A97 PolarHBondContact N-O 2.87Å; M75-W98 HydrophobicContact CB-CB 3.98Å; M75-W98 WeakPolarHBondContact O-CA 3.17Å; M75-L99 PolarHBondContact O-N 2.9Å |
| 76 | I | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.3 | 177.2 | -56.1 | 170.2 | 0 | 0 | 0 | 107.1 | L42 Y43 F44 T45 V74 L99 V106 L109 | L42-I76 HydrophobicContact CB-CD1 4.13Å; L42-I76 HydrophobicContact CD1-CD1 4.48Å; L42-I76 HydrophobicContact CD2-CD1 4.36Å; Y43-I76 PolarHBondContact O-N 3.01Å; F44-I76 WeakPolarHBondContact CA-O 3.33Å; F44-I76 HydrophobicContact CD1-CB 4.05Å; F44-I76 HydrophobicContact CD1-CD1 4.35Å; F44-I76 HydrophobicContact CD1-CG2 3.98Å; F44-I76 HydrophobicContact CE1-CB 4.19Å; F44-I76 HydrophobicContact CE1-CD1 3.75Å; F44-I76 HydrophobicContact CE1-CG2 3.95Å; F44-I76 HydrophobicContact CE2-CD1 4.04Å; F44-I76 HydrophobicContact CZ-CD1 3.56Å; T45-I76 PolarHBondContact N-O 2.87Å; V74-I76 HydrophobicContact CG1-CG1 4.47Å; I76-L99 HydrophobicContact CG1-CB 4.17Å; I76-L99 HydrophobicContact CG1-CD2 4.15Å; I76-L99 HydrophobicContact CG2-CD2 4.35Å; I76-V106 HydrophobicContact CG2-CG1 4.26Å; I76-V106 HydrophobicContact CG2-CG2 4.41Å; I76-L109 HydrophobicContact CD1-CD1 4.22Å |
| 77 | C | 97.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.2 | 177.9 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | T45 A85 L89 | T45-C77 CarbonylContact O-C 3.58Å; T45-C77 WeakPolarHBondContact O-CA 3.34Å; C77-A85 HydrophobicContact CB-CB 3.83Å; C77-L89 HydrophobicContact CB-CD1 3.61Å; C77-L89 HydrophobicContact CB-CD2 3.96Å; C77-L89 HydrophobicContact CB-CG 3.77Å |
| 78 | V | 97.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | trans | -96.2 | 7 | -180 | -51.2 | 0 | 0 | 0 | 0 | 113.7 | F44 T45 A46 W48 S80 V106 M110 I118 | F44-V78 HydrophobicContact CD1-CG1 4.36Å; T45-V78 PolarHBondContact O-N 2.84Å; A46-V78 HydrophobicContact CB-CG2 3.94Å; W48-V78 HydrophobicContact CZ2-CG2 4.18Å; V78-S80 PolarHBondContact O-N 3.39Å; V78-V106 HydrophobicContact CB-CG1 4.35Å; V78-V106 HydrophobicContact CG1-CG1 4.12Å; V78-M110 HydrophobicContact CB-SD 3.97Å; V78-M110 HydrophobicContact CG1-CE 4.27Å; V78-M110 HydrophobicContact CG1-CG 4.19Å; V78-M110 HydrophobicContact CG1-SD 3.52Å; V78-M110 VanDerWaalsContact CG1-SD 3.52Å; V78-I118 HydrophobicContact CG1-CG2 4.42Å; V78-I118 HydrophobicContact CG2-CD1 3.76Å; V78-I118 HydrophobicContact CG2-CG2 4.31Å | ||
| 79 | D | 96.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | trans | -56.9 | 137.9 | 172.8 | -68.6 | 0.8 | 0 | 0 | 0 | 110.2 | A46 S47 W48 D81 V84 A85 | A46-D79 WeakPolarHBondContact CA-OD1 3.37Å; A46-D79 VanDerWaalsContact CB-OD1 3.25Å; A46-D79 WeakPolarHBondContact CB-OD1 3.26Å; S47-D79 WeakPolarHBondContact CB-OD2 3.37Å; S47-D79 PolarHBondContact N-OD1 3.43Å; S47-D79 VanDerWaalsContact N-OD1 3.09Å; S47-D79 PolarHBondContact N-OD2 3.23Å; S47-D79 PolarHBondContact OG-OD2 3.32Å; W48-D79 PolarHBondContact NE1-OD1 3.42Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.44Å; D79-V84 WeakPolarHBondContact OD2-CG1 3Å; D79-A85 HydrophobicContact CB-CB 4.19Å | ||
| 80 | S | 94 | Very high | 95.4 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -69.3 | -29.9 | 179 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | V78 | V78-S80 PolarHBondContact O-N 3.39Š|
| 81 | D | 94.7 | Very high | 95.5 | Very high | 81 Ų | 81 | 41 Ų | 41 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | trans | -90.1 | 118.3 | 177.2 | -174.9 | -53.6 | 0 | 0 | 0 | 110.5 | D79 A83 V84 A85 | D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.44Å; D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.49Å; D81-A83 WeakPolarHBondContact OD1-CA 3.4Å; D81-A83 VanDerWaalsContact OD1-CB 3.31Å; D81-A83 WeakPolarHBondContact OD1-CB 3.48Å; D81-A83 PolarHBondContact OD1-N 2.93Å; D81-V84 HydrophobicContact CB-CB 4Å; D81-V84 HydrophobicContact CB-CG2 3.78Å; D81-V84 PolarHBondContact O-N 3.45Å; D81-V84 PolarHBondContact OD1-N 3.26Å; D81-A85 WeakPolarHBondContact O-CB 3.43Å; D81-A85 PolarHBondContact O-N 2.87Å | ||
| 82 | Q | 92.6 | Very high | 95.1 | Very high | 112 Ų | 112 | 43.3 Ų | 43.3 | 52% | 0.523 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -32.2 | -177.6 | -66.5 | 179 | 23.3 | 0 | 0 | 113.1 | A85 R86 | Q82-A85 PolarHBondContact O-N 2.99Å; Q82-R86 VanDerWaalsContact O-CB 3.24Å; Q82-R86 WeakPolarHBondContact O-CB 3.18Å; Q82-R86 PolarHBondContact O-N 3.27Å |
| 83 | A | 94.5 | Very high | 94.5 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -70.8 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D81 R86 N87 | D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.49Å; D81-A83 WeakPolarHBondContact OD1-CA 3.4Å; D81-A83 VanDerWaalsContact OD1-CB 3.31Å; D81-A83 WeakPolarHBondContact OD1-CB 3.48Å; D81-A83 PolarHBondContact OD1-N 2.93Å; A83-R86 PolarHBondContact O-N 3.26Å; A83-N87 WeakPolarHBondContact O-CB 3.34Å; A83-N87 PolarHBondContact O-N 3.28Å |
| 84 | V | 96 | Very high | 93.8 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 172.3 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | D79 D81 R86 N87 Y88 | D79-V84 WeakPolarHBondContact OD2-CG1 3Å; D81-V84 HydrophobicContact CB-CB 4Å; D81-V84 HydrophobicContact CB-CG2 3.78Å; D81-V84 PolarHBondContact O-N 3.45Å; D81-V84 PolarHBondContact OD1-N 3.26Å; V84-R86 PolarHBondContact O-N 2.92Å; V84-N87 PolarHBondContact O-N 2.84Å; V84-Y88 VanDerWaalsContact O-CB 3.27Å; V84-Y88 WeakPolarHBondContact O-CB 3.49Å; V84-Y88 PolarHBondContact O-N 2.94Å |
| 85 | A | 96.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C77 D79 D81 Q82 Y88 L89 | C77-A85 HydrophobicContact CB-CB 3.83Å; D79-A85 HydrophobicContact CB-CB 4.19Å; D81-A85 WeakPolarHBondContact O-CB 3.43Å; D81-A85 PolarHBondContact O-N 2.87Å; Q82-A85 PolarHBondContact O-N 2.99Å; A85-Y88 WeakPolarHBondContact O-CB 3.46Å; A85-Y88 PolarHBondContact O-N 3.5Å; A85-L89 WeakPolarHBondContact O-CB 3.48Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.32Å; A85-L89 PolarHBondContact O-N 3.49Å |
| 86 | R | 94.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.9 | 178.7 | 173.5 | 173.1 | 96 | 5.5 | 111.8 | Q82 A83 V84 Y88 S90 W98 E100 | Q82-R86 VanDerWaalsContact O-CB 3.24Å; Q82-R86 WeakPolarHBondContact O-CB 3.18Å; Q82-R86 PolarHBondContact O-N 3.27Å; A83-R86 PolarHBondContact O-N 3.26Å; V84-R86 PolarHBondContact O-N 2.92Å; R86-Y88 VanDerWaalsContact C-N 3.33Å; R86-Y88 PolarHBondContact O-N 2.97Å; R86-S90 VanDerWaalsContact O-CB 3.23Å; R86-S90 WeakPolarHBondContact O-CB 3.39Å; R86-S90 PolarHBondContact O-N 3.3Å; R86-S90 PolarHBondContact O-OG 3.04Å; R86-W98 HydrophobicContact CG-CH2 3.87Å; R86-W98 HydrophobicContact CG-CZ3 4.33Å; R86-E100 IonicContact CZ-OE1 2.72Å; R86-E100 VanDerWaalsContact NH1-CD 3.26Å; R86-E100 IonicContact NH1-OE1 2.72Å; R86-E100 PolarHBondContact NH1-OE1 2.9Å; R86-E100 IonicContact NH1-OE2 3.61Å |
| 87 | N | 94.8 | Very high | 93.4 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.4 | 175.9 | 56.2 | 0 | 0 | 0 | 111.6 | A83 V84 S90 K91 | A83-N87 WeakPolarHBondContact O-CB 3.34Å; A83-N87 PolarHBondContact O-N 3.28Å; V84-N87 PolarHBondContact O-N 2.84Å; N87-S90 PolarHBondContact O-OG 3.23Å; N87-K91 WeakPolarHBondContact O-CD 3.18Å; N87-K91 WeakPolarHBondContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact OD1-CE 3.5Å; N87-K91 PolarHBondContact OD1-NZ 2.83Å |
| 88 | Y | 95.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -59.6 | 174.6 | 173 | -100.1 | 0 | 0 | 0 | 111.1 | T45 A46 S47 E53 M56 M75 V84 A85 R86 S90 K91 K92 | T45-Y88 HydrophobicContact CG2-CE1 3.7Å; T45-Y88 PolarHBondContact OG1-OH 3.19Å; A46-Y88 PolarHBondContact O-OH 2.86Å; S47-Y88 VanDerWaalsContact CA-CD2 3.42Å; S47-Y88 VanDerWaalsContact CA-CE2 3.43Å; S47-Y88 VanDerWaalsContact CB-CD2 3.44Å; E53-Y88 WeakPolarHBondContact OE1-CE2 3.37Å; E53-Y88 PolarHBondContact OE1-OH 3.39Å; M56-Y88 WeakPolarHBondContact CE-OH 3.35Å; M75-Y88 HydrophobicContact CE-CE1 4.42Å; V84-Y88 VanDerWaalsContact O-CB 3.27Å; V84-Y88 WeakPolarHBondContact O-CB 3.49Å; V84-Y88 PolarHBondContact O-N 2.94Å; A85-Y88 WeakPolarHBondContact O-CB 3.46Å; A85-Y88 PolarHBondContact O-N 3.5Å; R86-Y88 VanDerWaalsContact C-N 3.33Å; R86-Y88 PolarHBondContact O-N 2.97Å; Y88-S90 PolarHBondContact O-N 3.45Å; Y88-K91 PolarHBondContact O-N 3.28Å; Y88-K92 HydrophobicContact CE1-CG 4.27Å; Y88-K92 HydrophobicContact CE2-CD 4.23Å; Y88-K92 HydrophobicContact CE2-CG 4.44Å; Y88-K92 WeakPolarHBondContact O-CG 3.17Å |
| 89 | L | 95.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | -174.6 | -70.7 | 171.6 | 0 | 0 | 0 | 112.5 | T45 M75 C77 A85 K91 K92 W98 | T45-L89 HydrophobicContact CG2-CD2 4.36Å; M75-L89 HydrophobicContact CB-CD2 3.55Å; M75-L89 HydrophobicContact CE-CD2 3.85Å; M75-L89 HydrophobicContact SD-CD2 4.36Å; C77-L89 HydrophobicContact CB-CD1 3.61Å; C77-L89 HydrophobicContact CB-CD2 3.96Å; C77-L89 HydrophobicContact CB-CG 3.77Å; A85-L89 WeakPolarHBondContact O-CB 3.48Å; A85-L89 VanDerWaalsContact O-CG 3.23Å; A85-L89 WeakPolarHBondContact O-CG 3.32Å; A85-L89 PolarHBondContact O-N 3.49Å; L89-K91 PolarHBondContact O-N 3.42Å; L89-K92 PolarHBondContact O-N 2.93Å; L89-W98 HydrophobicContact CB-CB 3.95Å; L89-W98 HydrophobicContact CB-CD2 3.85Å; L89-W98 HydrophobicContact CB-CE3 4.08Å; L89-W98 HydrophobicContact CB-CG 3.81Å; L89-W98 HydrophobicContact CD1-CB 4.1Å; L89-W98 HydrophobicContact CD1-CD2 4.34Å; L89-W98 HydrophobicContact CD1-CE3 3.87Å; L89-W98 HydrophobicContact CD1-CG 4.49Å; L89-W98 HydrophobicContact CD2-CB 4.14Å; L89-W98 HydrophobicContact CG-CB 4.28Å |
| 90 | S | 93.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -19.9 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | T21 R86 N87 Y88 | T21-S90 WeakPolarHBondContact CB-O 3.37Å; T21-S90 WeakPolarHBondContact CG2-O 3.4Å; T21-S90 WeakPolarHBondContact OG1-CA 3.5Å; T21-S90 PolarHBondContact OG1-O 3.4Å; R86-S90 VanDerWaalsContact O-CB 3.23Å; R86-S90 WeakPolarHBondContact O-CB 3.39Å; R86-S90 PolarHBondContact O-N 3.3Å; R86-S90 PolarHBondContact O-OG 3.04Å; N87-S90 PolarHBondContact O-OG 3.23Å; Y88-S90 PolarHBondContact O-N 3.45Å |
| 91 | K | 92.6 | Very high | 93 | Very high | 154 Ų | 154 | 57.1 Ų | 57.1 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8.6 | -177.1 | -68.4 | 176.3 | 175.7 | 169.9 | 0 | 115.1 | N87 Y88 L89 | N87-K91 WeakPolarHBondContact O-CD 3.18Å; N87-K91 WeakPolarHBondContact O-CG 3.29Å; N87-K91 WeakPolarHBondContact OD1-CE 3.5Å; N87-K91 PolarHBondContact OD1-NZ 2.83Å; Y88-K91 PolarHBondContact O-N 3.28Å; L89-K91 PolarHBondContact O-N 3.42Å |
| 92 | K | 87.7 | Confident | 92.8 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 21% | 0.213 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -57.8 | -165.1 | -71.5 | -48.7 | -170.6 | 174.5 | 0 | 116.7 | E53 M56 K60 M75 Y88 L89 | E53-K92 WeakPolarHBondContact OE1-CE 3.43Å; E53-K92 IonicContact OE1-NZ 3.47Å; E53-K92 PolarHBondContact OE1-NZ 3.28Å; E53-K92 IonicContact OE2-NZ 2.72Å; E53-K92 PolarHBondContact OE2-NZ 3.23Å; M56-K92 HydrophobicContact CE-CB 4.13Å; M56-K92 HydrophobicContact CE-CD 4.05Å; M56-K92 HydrophobicContact CE-CG 3.8Å; M56-K92 HydrophobicContact SD-CB 3.69Å; M56-K92 HydrophobicContact SD-CD 3.71Å; M56-K92 HydrophobicContact SD-CG 3.78Å; K60-K92 PolarHBondContact NZ-O 3.07Å; M75-K92 HydrophobicContact CE-CB 3.94Å; M75-K92 HydrophobicContact CE-CG 4.06Å; M75-K92 HydrophobicContact SD-CB 4.15Å; Y88-K92 HydrophobicContact CE1-CG 4.27Å; Y88-K92 HydrophobicContact CE2-CD 4.23Å; Y88-K92 HydrophobicContact CE2-CG 4.44Å; Y88-K92 WeakPolarHBondContact O-CG 3.17Å; L89-K92 PolarHBondContact O-N 2.93Å |
| 93 | H | 82.6 | Confident | 92.8 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | trans | -154.4 | 115.3 | -179.5 | -164.9 | -95.2 | 0 | 0 | 0 | 111.9 | K95 W96 | H93-K95 VanDerWaalsContact C-N 3.27Å; H93-K95 PolarHBondContact O-N 3.28Å; H93-W96 HydrophobicContact CB-CD2 3.65Å; H93-W96 HydrophobicContact CB-CE3 3.6Å; H93-W96 HydrophobicContact CB-CG 4.14Å; H93-W96 HydrophobicContact CB-CH2 4.33Å; H93-W96 HydrophobicContact CB-CZ2 4.4Å; H93-W96 HydrophobicContact CB-CZ3 3.95Å; H93-W96 AromaticContact CE1-CE2 3.87Å; H93-W96 AromaticContact CE1-NE1 3.57Å; H93-W96 AromaticContact CG-CD2 3.78Å; H93-W96 AromaticContact CG-CE2 3.7Å; H93-W96 AromaticContact ND1-CD1 3.38Å; H93-W96 AromaticContact ND1-CD2 3.52Å; H93-W96 AromaticContact ND1-CE2 3.31Å; H93-W96 VanDerWaalsContact ND1-CE2 3.31Å; H93-W96 AromaticContact ND1-CG 3.54Å; H93-W96 AromaticContact ND1-CZ2 3.96Å; H93-W96 AromaticContact ND1-NE1 3.2Å; H93-W96 PolarHBondContact ND1-NE1 3.01Å; H93-W96 VanDerWaalsContact ND1-NE1 3.2Å; H93-W96 PolarHBondContact O-N 2.97Å; H93-W96 VanDerWaalsContact O-N 3.16Å | ||
| 94 | R | 82.9 | Confident | 92.8 | Very high | 169 Ų | 169 | 59 Ų | 59 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.7 | -169 | -61.5 | -175.5 | -63.5 | -93.3 | 1.7 | 114.9 | T21 N22 | T21-R94 WeakPolarHBondContact O-CA 3.3Å; T21-R94 VanDerWaalsContact O-CB 3.32Å; T21-R94 WeakPolarHBondContact O-CB 3.4Å; N22-R94 WeakPolarHBondContact O-CD 3.35Å |
| 95 | K | 90.3 | Very high | 92.6 | Very high | 127 Ų | 127 | 57 Ų | 57 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -22 | 179.1 | -61.7 | -171.9 | 177.8 | -178.6 | 0 | 113 | K20 F68 H93 | K20-K95 PolarHBondContact NZ-O 3.14Å; F68-K95 HydrophobicContact CD2-CD 4.26Å; F68-K95 HydrophobicContact CE2-CB 4.47Å; F68-K95 HydrophobicContact CE2-CD 3.78Å; F68-K95 HydrophobicContact CZ-CB 4.26Å; F68-K95 HydrophobicContact CZ-CD 4.31Å; H93-K95 VanDerWaalsContact C-N 3.27Å; H93-K95 PolarHBondContact O-N 3.28Å |
| 96 | W | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -92.7 | 145.3 | -173 | -54.4 | -17.5 | 0 | 0 | 0 | 110.2 | M56 L59 K60 T63 F68 I73 M75 H93 | M56-W96 HydrophobicContact CG-CH2 4.21Å; M56-W96 HydrophobicContact CG-CZ3 3.95Å; L59-W96 HydrophobicContact CB-CH2 3.8Å; L59-W96 HydrophobicContact CB-CZ2 4.35Å; L59-W96 HydrophobicContact CD2-CE3 4.37Å; L59-W96 HydrophobicContact CD2-CH2 3.53Å; L59-W96 HydrophobicContact CD2-CZ2 4.1Å; L59-W96 HydrophobicContact CD2-CZ3 3.68Å; L59-W96 HydrophobicContact CG-CH2 3.45Å; L59-W96 VanDerWaalsContact CG-CH2 3.45Å; L59-W96 HydrophobicContact CG-CZ2 3.72Å; L59-W96 HydrophobicContact CG-CZ3 4.15Å; K60-W96 HydrophobicContact CG-CH2 3.78Å; K60-W96 HydrophobicContact CG-CZ2 4.02Å; T63-W96 HydrophobicContact CG2-CZ2 4.12Å; F68-W96 AromaticContact CE1-CD1 3.69Å; F68-W96 AromaticContact CE1-NE1 3.75Å; F68-W96 AromaticContact CZ-CD1 3.91Å; F68-W96 AromaticContact CZ-NE1 3.6Å; I73-W96 HydrophobicContact CB-CB 4.01Å; I73-W96 HydrophobicContact CB-CD2 4.19Å; I73-W96 HydrophobicContact CB-CG 3.82Å; I73-W96 HydrophobicContact CD1-CD2 3.91Å; I73-W96 HydrophobicContact CD1-CG 4.08Å; I73-W96 HydrophobicContact CD1-CZ2 4.02Å; I73-W96 HydrophobicContact CG2-CB 4.03Å; I73-W96 HydrophobicContact CG2-CD2 3.94Å; I73-W96 HydrophobicContact CG2-CE3 4.04Å; I73-W96 HydrophobicContact CG2-CG 3.95Å; M75-W96 HydrophobicContact CG-CE3 4.16Å; M75-W96 HydrophobicContact SD-CE3 3.74Å; M75-W96 HydrophobicContact SD-CZ3 4.36Å; H93-W96 HydrophobicContact CB-CD2 3.65Å; H93-W96 HydrophobicContact CB-CE3 3.6Å; H93-W96 HydrophobicContact CB-CG 4.14Å; H93-W96 HydrophobicContact CB-CH2 4.33Å; H93-W96 HydrophobicContact CB-CZ2 4.4Å; H93-W96 HydrophobicContact CB-CZ3 3.95Å; H93-W96 AromaticContact CE1-CE2 3.87Å; H93-W96 AromaticContact CE1-NE1 3.57Å; H93-W96 AromaticContact CG-CD2 3.78Å; H93-W96 AromaticContact CG-CE2 3.7Å; H93-W96 AromaticContact ND1-CD1 3.38Å; H93-W96 AromaticContact ND1-CD2 3.52Å; H93-W96 AromaticContact ND1-CE2 3.31Å; H93-W96 VanDerWaalsContact ND1-CE2 3.31Å; H93-W96 AromaticContact ND1-CG 3.54Å; H93-W96 AromaticContact ND1-CZ2 3.96Å; H93-W96 AromaticContact ND1-NE1 3.2Å; H93-W96 PolarHBondContact ND1-NE1 3.01Å; H93-W96 VanDerWaalsContact ND1-NE1 3.2Å; H93-W96 PolarHBondContact O-N 2.97Å; H93-W96 VanDerWaalsContact O-N 3.16Å |
| 97 | A | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 159.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M19 K20 M34 E72 I73 V74 M75 | M19-A97 CarbonylContact O-C 3.54Å; M19-A97 VanDerWaalsContact O-CA 3.26Å; M19-A97 WeakPolarHBondContact O-CA 3.38Å; K20-A97 HydrophobicContact CG-CB 4.18Å; M34-A97 HydrophobicContact CE-CB 4.43Å; E72-A97 PolarHBondContact OE1-N 3.4Å; I73-A97 WeakPolarHBondContact O-CA 3.14Å; I73-A97 PolarHBondContact O-N 2.64Å; I73-A97 VanDerWaalsContact O-O 3.11Å; V74-A97 WeakPolarHBondContact CA-O 3.42Å; V74-A97 HydrophobicContact CG2-CB 4.25Å; M75-A97 PolarHBondContact N-O 2.87Å |
| 98 | W | 96.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.4 | 171 | 57.3 | -94.6 | 0 | 0 | 0 | 110.5 | M19 T21 A27 M75 R86 L89 E100 | M19-W98 HydrophobicContact CB-CD2 3.6Å; M19-W98 HydrophobicContact CB-CE3 3.86Å; M19-W98 HydrophobicContact CB-CG 4.29Å; M19-W98 HydrophobicContact CB-CH2 3.64Å; M19-W98 HydrophobicContact CB-CZ2 3.38Å; M19-W98 HydrophobicContact CB-CZ3 3.88Å; M19-W98 HydrophobicContact CE-CH2 4.39Å; M19-W98 HydrophobicContact CG-CD2 4.29Å; M19-W98 HydrophobicContact CG-CE3 4.01Å; M19-W98 HydrophobicContact CG-CH2 3.57Å; M19-W98 HydrophobicContact CG-CZ2 3.87Å; M19-W98 HydrophobicContact CG-CZ3 3.65Å; M19-W98 PolarHBondContact N-O 3.33Å; M19-W98 PolarHBondContact O-N 3.04Å; T21-W98 PolarHBondContact OG1-NE1 2.59Å; A27-W98 HydrophobicContact CB-CZ2 3.71Å; M75-W98 HydrophobicContact CB-CB 3.98Å; M75-W98 WeakPolarHBondContact O-CA 3.17Å; R86-W98 HydrophobicContact CG-CH2 3.87Å; R86-W98 HydrophobicContact CG-CZ3 4.33Å; L89-W98 HydrophobicContact CB-CB 3.95Å; L89-W98 HydrophobicContact CB-CD2 3.85Å; L89-W98 HydrophobicContact CB-CE3 4.08Å; L89-W98 HydrophobicContact CB-CG 3.81Å; L89-W98 HydrophobicContact CD1-CB 4.1Å; L89-W98 HydrophobicContact CD1-CD2 4.34Å; L89-W98 HydrophobicContact CD1-CE3 3.87Å; L89-W98 HydrophobicContact CD1-CG 4.49Å; L89-W98 HydrophobicContact CD2-CB 4.14Å; L89-W98 HydrophobicContact CG-CB 4.28Å; W98-E100 HydrophobicContact CE3-CB 4.39Å; W98-E100 HydrophobicContact CZ3-CB 3.72Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å |
| 99 | L | 94.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.6 | -174.3 | -162.2 | 76.6 | 0 | 0 | 0 | 110 | L13 I16 L18 V74 M75 I76 A101 L109 | L13-L99 HydrophobicContact CD2-CD1 3.65Å; I16-L99 HydrophobicContact CB-CD1 4.41Å; I16-L99 HydrophobicContact CG2-CD1 3.28Å; I16-L99 HydrophobicContact CG2-CD2 4.32Å; I16-L99 HydrophobicContact CG2-CG 3.6Å; L18-L99 HydrophobicContact CD2-CD1 3.73Å; V74-L99 HydrophobicContact CG1-CB 4.26Å; V74-L99 HydrophobicContact CG1-CD1 4.42Å; M75-L99 PolarHBondContact O-N 2.9Å; I76-L99 HydrophobicContact CG1-CB 4.17Å; I76-L99 HydrophobicContact CG1-CD2 4.15Å; I76-L99 HydrophobicContact CG2-CD2 4.35Å; L99-A101 HydrophobicContact CD2-CB 3.73Å; L99-A101 HydrophobicContact CG-CB 3.94Å; L99-L109 HydrophobicContact CD2-CD1 3.33Å |
| 100 | E | 93.7 | Very high | 92.5 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 97.2 | 166.7 | -172.3 | 173.4 | -140.8 | 0 | 0 | 109.6 | I16 R17 M19 R86 W98 | I16-E100 WeakPolarHBondContact CG2-O 3.49Å; R17-E100 HydrophobicContact CB-CB 4.42Å; R17-E100 IonicContact CZ-OE2 2.87Å; R17-E100 IonicContact NE-OE2 3.57Å; R17-E100 PolarHBondContact NE-OE2 2.89Å; R17-E100 IonicContact NH2-OE1 2.59Å; R17-E100 IonicContact NH2-OE2 3.55Å; R17-E100 PolarHBondContact NH2-OE2 2.9Å; R17-E100 PolarHBondContact O-N 3.23Å; M19-E100 HydrophobicContact CG-CB 3.83Å; R86-E100 IonicContact CZ-OE1 2.72Å; R86-E100 VanDerWaalsContact NH1-CD 3.26Å; R86-E100 IonicContact NH1-OE1 2.72Å; R86-E100 PolarHBondContact NH1-OE1 2.9Å; R86-E100 IonicContact NH1-OE2 3.61Å; W98-E100 HydrophobicContact CE3-CB 4.39Å; W98-E100 HydrophobicContact CZ3-CB 3.72Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å |
| 101 | A | 91 | Very high | 92.6 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | trans | -137.3 | 154 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I16 L99 K105 V106 | I16-A101 HydrophobicContact CG2-CB 4.15Å; L99-A101 HydrophobicContact CD2-CB 3.73Å; L99-A101 HydrophobicContact CG-CB 3.94Å; A101-K105 HydrophobicContact CB-CB 4.09Å; A101-K105 HydrophobicContact CB-CG 4.07Å; A101-V106 HydrophobicContact CB-CG2 4.19Å | ||
| 102 | N | 92.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 40% | 0.401 | 29% | 0.288 | S | S | . | . | trans | -73.9 | 168.7 | 171.7 | 71.3 | 14.7 | 0 | 0 | 0 | 111.4 | E104 K105 V106 | N102-E104 VanDerWaalsContact C-N 3.29Å; N102-E104 PolarHBondContact O-N 2.88Å; N102-E104 PolarHBondContact OD1-N 2.8Å; N102-K105 PolarHBondContact O-N 3.16Å; N102-K105 VanDerWaalsContact OD1-CB 3.27Å; N102-K105 WeakPolarHBondContact OD1-CB 3.32Å; N102-K105 PolarHBondContact OD1-N 3.23Å; N102-V106 WeakPolarHBondContact O-CG2 3.39Å; N102-V106 PolarHBondContact O-N 3.2Å; N102-V106 VanDerWaalsContact O-N 3.09Å | ||
| 103 | Q | 92.5 | Very high | 93 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | -176.9 | -162.9 | -167.3 | 28.8 | 0 | 0 | 112.7 | V106 K107 | Q103-V106 PolarHBondContact O-N 3.32Å; Q103-K107 HydrophobicContact CG-CD 4.46Å; Q103-K107 WeakPolarHBondContact O-CB 3.43Å; Q103-K107 WeakPolarHBondContact O-CG 3.4Å; Q103-K107 PolarHBondContact O-N 3.23Å |
| 104 | E | 93.2 | Very high | 93.6 | Very high | 149 Ų | 149 | 59.4 Ų | 59.4 | 70% | 0.696 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 178.2 | -178.8 | 174 | -161.4 | 0 | 0 | 111.3 | N102 K107 Q108 | N102-E104 VanDerWaalsContact C-N 3.29Å; N102-E104 PolarHBondContact O-N 2.88Å; N102-E104 PolarHBondContact OD1-N 2.8Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.31Å; E104-Q108 PolarHBondContact O-N 3.09Å |
| 105 | K | 92.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 178.1 | -174.9 | 73.5 | -154.3 | -155.6 | 0 | 112.4 | W12 I16 A101 N102 K107 Q108 L109 | W12-K105 VanDerWaalsContact O-CE 3.25Å; W12-K105 WeakPolarHBondContact O-CE 3.35Å; W12-K105 PolarHBondContact O-NZ 3.46Å; I16-K105 HydrophobicContact CD1-CD 3.46Å; I16-K105 VanDerWaalsContact CD1-CD 3.46Å; I16-K105 HydrophobicContact CD1-CG 3.36Å; I16-K105 HydrophobicContact CG1-CD 4.17Å; I16-K105 HydrophobicContact CG1-CG 3.93Å; A101-K105 HydrophobicContact CB-CB 4.09Å; A101-K105 HydrophobicContact CB-CG 4.07Å; N102-K105 PolarHBondContact O-N 3.16Å; N102-K105 VanDerWaalsContact OD1-CB 3.27Å; N102-K105 WeakPolarHBondContact OD1-CB 3.32Å; N102-K105 PolarHBondContact OD1-N 3.23Å; K105-K107 VanDerWaalsContact C-N 3.33Å; K105-K107 PolarHBondContact O-N 2.9Å; K105-Q108 WeakPolarHBondContact O-CB 3.34Å; K105-Q108 PolarHBondContact O-N 3.3Å; K105-L109 HydrophobicContact CG-CD1 4.36Å; K105-L109 WeakPolarHBondContact O-CG 3.43Å; K105-L109 PolarHBondContact O-N 3.41Å |
| 106 | V | 94.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I76 V78 A101 N102 Q103 Q108 L109 M110 | I76-V106 HydrophobicContact CG2-CG1 4.26Å; I76-V106 HydrophobicContact CG2-CG2 4.41Å; V78-V106 HydrophobicContact CB-CG1 4.35Å; V78-V106 HydrophobicContact CG1-CG1 4.12Å; A101-V106 HydrophobicContact CB-CG2 4.19Å; N102-V106 WeakPolarHBondContact O-CG2 3.39Å; N102-V106 PolarHBondContact O-N 3.2Å; N102-V106 VanDerWaalsContact O-N 3.09Å; Q103-V106 PolarHBondContact O-N 3.32Å; V106-Q108 PolarHBondContact O-N 3.33Å; V106-L109 PolarHBondContact O-N 3.46Å; V106-M110 HydrophobicContact CG1-SD 4.27Å; V106-M110 WeakPolarHBondContact O-CG 3.23Å; V106-M110 PolarHBondContact O-N 3.21Å |
| 107 | K | 94.8 | Very high | 94.5 | Very high | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 174.3 | -73.5 | 171.6 | 178.2 | 172 | 0 | 112.2 | Q103 E104 K105 L109 M110 A111 | Q103-K107 HydrophobicContact CG-CD 4.46Å; Q103-K107 WeakPolarHBondContact O-CB 3.43Å; Q103-K107 WeakPolarHBondContact O-CG 3.4Å; Q103-K107 PolarHBondContact O-N 3.23Å; E104-K107 WeakPolarHBondContact O-CB 3.37Å; E104-K107 PolarHBondContact O-N 3.31Å; K105-K107 VanDerWaalsContact C-N 3.33Å; K105-K107 PolarHBondContact O-N 2.9Å; K107-L109 VanDerWaalsContact C-N 3.33Å; K107-L109 PolarHBondContact O-N 2.9Å; K107-M110 PolarHBondContact O-N 3.35Å; K107-A111 WeakPolarHBondContact O-CB 3.24Å; K107-A111 PolarHBondContact O-N 2.85Å |
| 108 | Q | 94.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.6 | -174.4 | -168.9 | 5.2 | 0 | 0 | 111.3 | E104 K105 V106 A111 T112 | E104-Q108 PolarHBondContact O-N 3.09Å; K105-Q108 WeakPolarHBondContact O-CB 3.34Å; K105-Q108 PolarHBondContact O-N 3.3Å; V106-Q108 PolarHBondContact O-N 3.33Å; Q108-A111 PolarHBondContact O-N 2.82Å; Q108-T112 WeakPolarHBondContact O-CB 3.23Å; Q108-T112 PolarHBondContact O-N 2.91Å; Q108-T112 PolarHBondContact O-OG1 2.92Å |
| 109 | L | 94.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 177.9 | -69.6 | 167.8 | 0 | 0 | 0 | 111.4 | W12 F44 I76 L99 K105 V106 K107 A111 T112 Y113 | W12-L109 HydrophobicContact CE3-CD2 4.12Å; F44-L109 HydrophobicContact CE1-CB 4.22Å; F44-L109 HydrophobicContact CZ-CB 4.37Å; I76-L109 HydrophobicContact CD1-CD1 4.22Å; L99-L109 HydrophobicContact CD2-CD1 3.33Å; K105-L109 HydrophobicContact CG-CD1 4.36Å; K105-L109 WeakPolarHBondContact O-CG 3.43Å; K105-L109 PolarHBondContact O-N 3.41Å; V106-L109 PolarHBondContact O-N 3.46Å; K107-L109 VanDerWaalsContact C-N 3.33Å; K107-L109 PolarHBondContact O-N 2.9Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.31Å; L109-T112 PolarHBondContact O-N 2.95Å; L109-Y113 HydrophobicContact CD2-CE2 3.92Å; L109-Y113 WeakPolarHBondContact O-CD2 3.49Å; L109-Y113 PolarHBondContact O-N 3.4Å |
| 110 | M | 95.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58 | -45.1 | 174.9 | -71.3 | 177 | 68.5 | 0 | 0 | 111.6 | F44 V78 V106 K107 Y113 D114 V115 | F44-M110 HydrophobicContact CD1-CG 4.04Å; F44-M110 HydrophobicContact CE1-CG 4.02Å; V78-M110 HydrophobicContact CB-SD 3.97Å; V78-M110 HydrophobicContact CG1-CE 4.27Å; V78-M110 HydrophobicContact CG1-CG 4.19Å; V78-M110 HydrophobicContact CG1-SD 3.52Å; V78-M110 VanDerWaalsContact CG1-SD 3.52Å; V106-M110 HydrophobicContact CG1-SD 4.27Å; V106-M110 WeakPolarHBondContact O-CG 3.23Å; V106-M110 PolarHBondContact O-N 3.21Å; K107-M110 PolarHBondContact O-N 3.35Å; M110-Y113 PolarHBondContact O-N 2.9Å; M110-D114 PolarHBondContact O-N 3.3Å; M110-D114 VanDerWaalsContact O-N 3.07Å; M110-V115 HydrophobicContact CB-CB 4.14Å; M110-V115 HydrophobicContact CE-CG1 4.34Å; M110-V115 WeakPolarHBondContact CE-O 3.38Å; M110-V115 HydrophobicContact CG-CB 4.22Å; M110-V115 HydrophobicContact CG-CG1 4.44Å; M110-V115 PolarHBondContact O-N 3.03Å |
| 111 | A | 95.5 | Very high | 95 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K107 Q108 L109 Y113 D114 | K107-A111 WeakPolarHBondContact O-CB 3.24Å; K107-A111 PolarHBondContact O-N 2.85Å; Q108-A111 PolarHBondContact O-N 2.82Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.31Å; A111-Y113 PolarHBondContact O-N 3.03Å; A111-D114 PolarHBondContact O-N 2.89Å |
| 112 | T | 94.2 | Very high | 95.3 | Very high | 80 Ų | 80 | 56 Ų | 56 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.2 | -34.7 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | Q108 L109 | Q108-T112 WeakPolarHBondContact O-CB 3.23Å; Q108-T112 PolarHBondContact O-N 2.91Å; Q108-T112 PolarHBondContact O-OG1 2.92Å; L109-T112 PolarHBondContact O-N 2.95Å |
| 113 | Y | 95.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 13.5 | -175.3 | -64.9 | -61.4 | 0 | 0 | 0 | 114.1 | L42 F44 L109 M110 A111 V115 V122 V124 G128 V130 | L42-Y113 HydrophobicContact CD1-CD2 3.91Å; L42-Y113 HydrophobicContact CD1-CE1 4.2Å; L42-Y113 HydrophobicContact CD1-CE2 3.29Å; L42-Y113 VanDerWaalsContact CD1-CZ 3.46Å; F44-Y113 HydrophobicContact CE2-CD2 4.34Å; F44-Y113 AromaticContact CZ-CD2 3.83Å; F44-Y113 HydrophobicContact CZ-CD2 3.83Å; F44-Y113 HydrophobicContact CZ-CG 4.47Å; L109-Y113 HydrophobicContact CD2-CE2 3.92Å; L109-Y113 WeakPolarHBondContact O-CD2 3.49Å; L109-Y113 PolarHBondContact O-N 3.4Å; M110-Y113 PolarHBondContact O-N 2.9Å; A111-Y113 PolarHBondContact O-N 3.03Å; Y113-V115 VanDerWaalsContact C-N 3.26Å; Y113-V115 PolarHBondContact O-N 3.1Å; Y113-V122 HydrophobicContact CD1-CG1 3.94Å; Y113-V122 HydrophobicContact CE1-CG1 4.44Å; Y113-V124 HydrophobicContact CD1-CG1 4.46Å; Y113-V124 HydrophobicContact CE1-CG1 3.66Å; Y113-G128 WeakPolarHBondContact CE1-O 3.49Å; Y113-G128 WeakPolarHBondContact OH-CA 3.27Å; Y113-G128 PolarHBondContact OH-O 2.95Å; Y113-V130 HydrophobicContact CD1-CG2 3.61Å; Y113-V130 HydrophobicContact CE1-CG2 3.62Å |
| 114 | D | 95.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38 | -180 | -52.6 | -53.8 | 0 | 0 | 0 | 113.8 | M110 A111 I116 K133 | M110-D114 PolarHBondContact O-N 3.3Å; M110-D114 VanDerWaalsContact O-N 3.07Å; A111-D114 PolarHBondContact O-N 2.89Å; D114-I116 PolarHBondContact O-N 3.27Å; D114-K133 IonicContact OD2-NZ 3.5Å; D114-K133 PolarHBondContact OD2-NZ 3.07Å |
| 115 | V | 96.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | trans | -84.3 | 97 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | F44 M110 Y113 C117 I118 V120 | F44-V115 HydrophobicContact CB-CG1 4.05Å; F44-V115 HydrophobicContact CD1-CB 4.45Å; F44-V115 HydrophobicContact CD1-CG1 4.19Å; F44-V115 HydrophobicContact CD1-CG2 4.11Å; F44-V115 HydrophobicContact CD2-CG2 3.79Å; F44-V115 HydrophobicContact CE1-CG2 4.11Å; F44-V115 HydrophobicContact CE2-CG2 3.8Å; F44-V115 HydrophobicContact CG-CG1 4.03Å; F44-V115 HydrophobicContact CG-CG2 3.95Å; F44-V115 HydrophobicContact CZ-CG2 3.96Å; M110-V115 HydrophobicContact CB-CB 4.14Å; M110-V115 HydrophobicContact CE-CG1 4.34Å; M110-V115 WeakPolarHBondContact CE-O 3.38Å; M110-V115 HydrophobicContact CG-CB 4.22Å; M110-V115 HydrophobicContact CG-CG1 4.44Å; M110-V115 PolarHBondContact O-N 3.03Å; Y113-V115 VanDerWaalsContact C-N 3.26Å; Y113-V115 PolarHBondContact O-N 3.1Å; V115-C117 WeakPolarHBondContact CG1-O 3.37Å; V115-I118 HydrophobicContact CG1-CG2 4.3Å; V115-V120 HydrophobicContact CG1-CB 4.31Å; V115-V120 HydrophobicContact CG1-CG2 4.42Å; V115-V120 HydrophobicContact CG2-CG1 4.23Å | ||
| 116 | I | 95.1 | Very high | 95.5 | Very high | 163 Ų | 163 | 43.8 Ų | 43.8 | 84% | 0.836 | 24% | 0.238 | S | C | * | . | trans | -96.6 | -18.2 | 177.1 | 62.8 | 172.4 | 0 | 0 | 0 | 113.7 | D114 | D114-I116 PolarHBondContact O-N 3.27Š| ||
| 117 | C | 95 | Very high | 95.2 | Very high | 81 Ų | 81 | 46 Ų | 46 | 55% | 0.547 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -146.5 | 164.3 | 176.8 | 68.2 | 0 | 0 | 0 | 0 | 110.3 | V115 V120 | V115-C117 WeakPolarHBondContact CG1-O 3.37Å; C117-V120 WeakPolarHBondContact O-CG2 3.29Å |
| 118 | I | 97.6 | Very high | 95 | Very high | 31 Ų | 31 | 41 Ų | 41 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -126.5 | 154.4 | 177.5 | 56.8 | 170.5 | 0 | 0 | 0 | 109.7 | F44 A46 W48 C49 V78 V115 | F44-I118 HydrophobicContact CB-CG2 3.99Å; A46-I118 HydrophobicContact CB-CD1 3.29Å; W48-I118 HydrophobicContact CH2-CD1 3.72Å; W48-I118 HydrophobicContact CH2-CG1 4.29Å; W48-I118 HydrophobicContact CZ2-CD1 4Å; W48-I118 HydrophobicContact CZ3-CD1 4.26Å; C49-I118 HydrophobicContact CB-CD1 3.81Å; C49-I118 HydrophobicContact CB-CG1 4.47Å; V78-I118 HydrophobicContact CG1-CG2 4.42Å; V78-I118 HydrophobicContact CG2-CD1 3.76Å; V78-I118 HydrophobicContact CG2-CG2 4.31Å; V115-I118 HydrophobicContact CG1-CG2 4.3Å |
| 119 | P | 97.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 8% | 0.078 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -74.4 | 144 | -3 | 27.3 | -32.8 | 0 | 0 | 0 | 113.7 | Y43 F44 C52 F55 R136 | Y43-P119 HydrophobicContact CE2-CB 3.68Å; F44-P119 WeakPolarHBondContact O-CA 3.47Å; C52-P119 HydrophobicContact CB-CB 4.32Å; F55-P119 HydrophobicContact CB-CB 4.33Å; F55-P119 HydrophobicContact CB-CG 3.94Å; F55-P119 HydrophobicContact CD1-CB 4.13Å; F55-P119 HydrophobicContact CG-CB 4.44Å; F55-P119 HydrophobicContact CG-CG 4.38Å; P119-R136 WeakPolarHBondContact O-CD 3.38Å; P119-R136 PolarHBondContact O-NE 3.5Å |
| 120 | V | 97.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.2 | 171.4 | 167.8 | 0 | 0 | 0 | 0 | 109.6 | F44 V115 C117 V122 | F44-V120 PolarHBondContact N-O 2.96Å; F44-V120 PolarHBondContact O-N 3.47Å; V115-V120 HydrophobicContact CG1-CB 4.31Å; V115-V120 HydrophobicContact CG1-CG2 4.42Å; V115-V120 HydrophobicContact CG2-CG1 4.23Å; C117-V120 WeakPolarHBondContact O-CG2 3.29Å; V120-V122 HydrophobicContact CG1-CG2 3.89Å |
| 121 | V | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.5 | 171.6 | -175 | 0 | 0 | 0 | 0 | 109.6 | L41 L42 Y43 F55 N134 I135 I139 | L41-V121 HydrophobicContact CB-CG1 3.92Å; L41-V121 HydrophobicContact CD1-CG1 4.28Å; L41-V121 HydrophobicContact CD2-CG1 4.41Å; L41-V121 HydrophobicContact CG-CG1 4.44Å; L42-V121 CarbonylContact O-C 3.53Å; L42-V121 VanDerWaalsContact O-CA 3.29Å; L42-V121 WeakPolarHBondContact O-CA 3.42Å; Y43-V121 HydrophobicContact CD2-CG2 3.85Å; Y43-V121 HydrophobicContact CG-CG2 4.33Å; F55-V121 HydrophobicContact CD1-CG2 4.48Å; F55-V121 HydrophobicContact CE1-CG2 3.36Å; F55-V121 HydrophobicContact CZ-CG2 3.63Å; V121-N134 CarbonylContact O-C 3.6Å; V121-N134 WeakPolarHBondContact O-CA 3.4Å; V121-N134 PolarHBondContact O-N 3.46Å; V121-I135 HydrophobicContact CB-CG1 3.88Å; V121-I135 HydrophobicContact CG1-CD1 3.85Å; V121-I135 HydrophobicContact CG1-CG1 3.67Å; V121-I135 WeakPolarHBondContact O-CG1 3.43Å; V121-I135 PolarHBondContact O-N 3.22Å; V121-I139 HydrophobicContact CB-CD1 4.35Å; V121-I139 HydrophobicContact CG1-CD1 4.02Å; V121-I139 HydrophobicContact CG2-CD1 4.36Å |
| 122 | V | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.4 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 109 | L42 F44 Y113 V120 V124 V130 | L42-V122 HydrophobicContact CB-CB 4.4Å; L42-V122 PolarHBondContact N-O 3.15Å; L42-V122 PolarHBondContact O-N 3.12Å; F44-V122 HydrophobicContact CE2-CG2 4.25Å; Y113-V122 HydrophobicContact CD1-CG1 3.94Å; Y113-V122 HydrophobicContact CE1-CG1 4.44Å; V120-V122 HydrophobicContact CG1-CG2 3.89Å; V122-V124 HydrophobicContact CG1-CG1 3.83Å; V122-V130 HydrophobicContact CG1-CG1 4.1Å; V122-V130 HydrophobicContact CG1-CG2 4.11Å |
| 123 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120 | 174 | -177.8 | 73.2 | 0 | 0 | 0 | 108.4 | V39 I40 L41 L131 R132 I135 W154 | V39-L123 HydrophobicContact CB-CD1 3.73Å; V39-L123 HydrophobicContact CG1-CD1 4.37Å; V39-L123 HydrophobicContact CG2-CD1 4.1Å; I40-L123 WeakPolarHBondContact O-CA 3.33Å; L41-L123 HydrophobicContact CD2-CB 4.4Å; L41-L123 HydrophobicContact CD2-CD1 3.35Å; L41-L123 HydrophobicContact CD2-CG 4.48Å; L123-L131 HydrophobicContact CB-CB 4.44Å; L123-L131 HydrophobicContact CD2-CB 3.77Å; L123-L131 HydrophobicContact CD2-CD1 4.3Å; L123-L131 HydrophobicContact CG-CB 3.88Å; L123-L131 HydrophobicContact CG-CD1 4.14Å; L123-L131 PolarHBondContact O-N 2.97Å; L123-R132 HydrophobicContact CB-CB 3.99Å; L123-R132 HydrophobicContact CD2-CB 4.08Å; L123-R132 HydrophobicContact CD2-CG 3.96Å; L123-R132 PolarHBondContact N-O 3.36Å; L123-R132 PolarHBondContact O-N 3.46Å; L123-R132 VanDerWaalsContact O-N 3.16Å; L123-I135 HydrophobicContact CB-CD1 4.18Å; L123-W154 HydrophobicContact CD1-CB 4.26Å; L123-W154 HydrophobicContact CD1-CD2 4Å; L123-W154 HydrophobicContact CD1-CE3 4.02Å; L123-W154 HydrophobicContact CD1-CG 4.15Å; L123-W154 HydrophobicContact CD2-CB 3.84Å; L123-W154 HydrophobicContact CD2-CD2 3.99Å; L123-W154 HydrophobicContact CD2-CG 3.51Å |
| 124 | V | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.8 | 179.1 | -55 | 0 | 0 | 0 | 0 | 111.5 | I40 L42 Y113 V122 K129 V130 | I40-V124 HydrophobicContact CB-CG2 3.75Å; I40-V124 HydrophobicContact CD1-CG2 4.48Å; I40-V124 HydrophobicContact CG2-CG2 4.09Å; I40-V124 PolarHBondContact N-O 3.12Å; I40-V124 PolarHBondContact O-N 3.38Å; L42-V124 HydrophobicContact CD1-CG1 3.94Å; L42-V124 HydrophobicContact CD1-CG2 4.02Å; L42-V124 HydrophobicContact CD2-CG2 4.25Å; L42-V124 HydrophobicContact CG-CG1 4.31Å; L42-V124 HydrophobicContact CG-CG2 3.86Å; Y113-V124 HydrophobicContact CD1-CG1 4.46Å; Y113-V124 HydrophobicContact CE1-CG1 3.66Å; V122-V124 HydrophobicContact CG1-CG1 3.83Å; V124-K129 CarbonylContact C-O 3.55Å; V124-K129 WeakPolarHBondContact CA-O 3.48Å; V124-K129 WeakPolarHBondContact CB-O 3.22Å; V124-V130 HydrophobicContact CG1-CG2 4.39Å |
| 125 | D | 92.8 | Very high | 94.6 | Very high | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | trans | -82.4 | 176.7 | 163.6 | 73.6 | 13.6 | 0 | 0 | 0 | 111.4 | N127 G128 K129 L131 L158 | D125-N127 PolarHBondContact O-N 3.34Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 VanDerWaalsContact OD1-CA 3.3Å; D125-N127 WeakPolarHBondContact OD1-CA 3.49Å; D125-N127 WeakPolarHBondContact OD1-CB 3.48Å; D125-N127 PolarHBondContact OD1-N 3.23Å; D125-G128 PolarHBondContact O-N 3.44Å; D125-G128 PolarHBondContact OD1-N 3.23Å; D125-G128 VanDerWaalsContact OD1-N 3.12Å; D125-K129 PolarHBondContact N-O 3.03Å; D125-K129 WeakPolarHBondContact OD1-CB 3.44Å; D125-K129 PolarHBondContact OD1-N 2.96Å; D125-K129 WeakPolarHBondContact OD2-CB 3.45Å; D125-L131 HydrophobicContact CB-CD1 4.47Å; D125-L131 HydrophobicContact CB-CD2 4.45Å; D125-L158 HydrophobicContact CB-CD1 3.53Å | ||
| 126 | R | 90 | Very high | 94.6 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.4 | 177.5 | 61.4 | 173.4 | -65.5 | -165.6 | 0.2 | 115.1 | W12 W36 G128 | W12-R126 PolarHBondContact NE1-O 3.01Å; W12-R126 VanDerWaalsContact NE1-O 3.16Å; W36-R126 VanDerWaalsContact NE1-NH2 3.18Å; R126-G128 VanDerWaalsContact C-N 3.3Å |
| 127 | N | 87.8 | Confident | 94.6 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.1 | 178.7 | -59.4 | -45.4 | 0 | 0 | 0 | 112.2 | H8 G10 W12 D125 K129 | H8-N127 PolarHBondContact O-OD1 3.16Å; G10-N127 PolarHBondContact N-OD1 3.14Å; W12-N127 VanDerWaalsContact CD1-O 3.23Å; D125-N127 PolarHBondContact O-N 3.34Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 VanDerWaalsContact OD1-CA 3.3Å; D125-N127 WeakPolarHBondContact OD1-CA 3.49Å; D125-N127 WeakPolarHBondContact OD1-CB 3.48Å; D125-N127 PolarHBondContact OD1-N 3.23Å; N127-K129 VanDerWaalsContact C-N 3.26Å |
| 128 | G | 91.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 43 Ų | 43 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | trans | 80.3 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | W12 Y113 D125 R126 V130 | W12-G128 VanDerWaalsContact NE1-N 3.2Å; Y113-G128 WeakPolarHBondContact CE1-O 3.49Å; Y113-G128 WeakPolarHBondContact OH-CA 3.27Å; Y113-G128 PolarHBondContact OH-O 2.95Å; D125-G128 PolarHBondContact O-N 3.44Å; D125-G128 PolarHBondContact OD1-N 3.23Å; D125-G128 VanDerWaalsContact OD1-N 3.12Å; R126-G128 VanDerWaalsContact C-N 3.3Å; G128-V130 PolarHBondContact O-N 3.48Å | ||
| 129 | K | 92.2 | Very high | 94.5 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | trans | -71.2 | 130.8 | 177 | -176.5 | -174.9 | 176.4 | -178.8 | 0 | 109 | V124 D125 N127 L131 | V124-K129 CarbonylContact C-O 3.55Å; V124-K129 WeakPolarHBondContact CA-O 3.48Å; V124-K129 WeakPolarHBondContact CB-O 3.22Å; D125-K129 PolarHBondContact N-O 3.03Å; D125-K129 WeakPolarHBondContact OD1-CB 3.44Å; D125-K129 PolarHBondContact OD1-N 2.96Å; D125-K129 WeakPolarHBondContact OD2-CB 3.45Å; N127-K129 VanDerWaalsContact C-N 3.26Å; K129-L131 PolarHBondContact O-N 3.29Å | ||
| 130 | V | 94 | Very high | 94.4 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.9 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Y113 V122 V124 G128 K133 | Y113-V130 HydrophobicContact CD1-CG2 3.61Å; Y113-V130 HydrophobicContact CE1-CG2 3.62Å; V122-V130 HydrophobicContact CG1-CG1 4.1Å; V122-V130 HydrophobicContact CG1-CG2 4.11Å; V124-V130 HydrophobicContact CG1-CG2 4.39Å; G128-V130 PolarHBondContact O-N 3.48Å; V130-K133 HydrophobicContact CG1-CG 3.66Å |
| 131 | L | 94.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -41.8 | 167.9 | -57.9 | 178.2 | 0 | 0 | 0 | 110.3 | V39 L123 D125 K129 Q157 L158 N161 | V39-L131 HydrophobicContact CG1-CD1 4.06Å; L123-L131 HydrophobicContact CB-CB 4.44Å; L123-L131 HydrophobicContact CD2-CB 3.77Å; L123-L131 HydrophobicContact CD2-CD1 4.3Å; L123-L131 HydrophobicContact CG-CB 3.88Å; L123-L131 HydrophobicContact CG-CD1 4.14Å; L123-L131 PolarHBondContact O-N 2.97Å; D125-L131 HydrophobicContact CB-CD1 4.47Å; D125-L131 HydrophobicContact CB-CD2 4.45Å; K129-L131 PolarHBondContact O-N 3.29Å; L131-Q157 PolarHBondContact O-NE2 2.78Å; L131-L158 HydrophobicContact CD1-CB 4.32Å; L131-L158 HydrophobicContact CD1-CD1 4.22Å; L131-N161 WeakPolarHBondContact CD2-ND2 3.35Å |
| 132 | R | 95.4 | Very high | 94 | Very high | 107 Ų | 107 | 47 Ų | 47 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 135.2 | 174.7 | -63.5 | -178.8 | 178.2 | -100.6 | -3.6 | 111.3 | L123 I135 | L123-R132 HydrophobicContact CB-CB 3.99Å; L123-R132 HydrophobicContact CD2-CB 4.08Å; L123-R132 HydrophobicContact CD2-CG 3.96Å; L123-R132 PolarHBondContact N-O 3.36Å; L123-R132 PolarHBondContact O-N 3.46Å; L123-R132 VanDerWaalsContact O-N 3.16Å; R132-I135 HydrophobicContact CB-CG2 3.52Å; R132-I135 HydrophobicContact CG-CG2 4.45Å |
| 133 | K | 93.1 | Very high | 93.5 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 55% | 0.548 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -84.6 | 145.1 | 171.8 | -63.6 | -170.7 | 178.7 | -171.1 | 0 | 110.5 | D114 V130 I135 | D114-K133 IonicContact OD2-NZ 3.5Å; D114-K133 PolarHBondContact OD2-NZ 3.07Å; V130-K133 HydrophobicContact CG1-CG 3.66Å; K133-I135 PolarHBondContact O-N 2.92Å |
| 134 | N | 91.3 | Very high | 93 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 29% | 0.293 | S | S | . | . | trans | 45 | 59.5 | 167.8 | -163.1 | 4.2 | 0 | 0 | 0 | 115.8 | V121 R136 | V121-N134 CarbonylContact O-C 3.6Å; V121-N134 WeakPolarHBondContact O-CA 3.4Å; V121-N134 PolarHBondContact O-N 3.46Å; N134-R136 PolarHBondContact O-N 2.87Å | ||
| 135 | I | 96 | Very high | 92.6 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 11.3 | -180 | 59.4 | 157.4 | 0 | 0 | 0 | 113.7 | L41 V121 L123 R132 K133 A137 Q138 I139 W154 | L41-I135 HydrophobicContact CD1-CD1 4.48Å; L41-I135 HydrophobicContact CD2-CD1 3.65Å; V121-I135 HydrophobicContact CB-CG1 3.88Å; V121-I135 HydrophobicContact CG1-CD1 3.85Å; V121-I135 HydrophobicContact CG1-CG1 3.67Å; V121-I135 WeakPolarHBondContact O-CG1 3.43Å; V121-I135 PolarHBondContact O-N 3.22Å; L123-I135 HydrophobicContact CB-CD1 4.18Å; R132-I135 HydrophobicContact CB-CG2 3.52Å; R132-I135 HydrophobicContact CG-CG2 4.45Å; K133-I135 PolarHBondContact O-N 2.92Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.32Å; I135-Q138 PolarHBondContact O-N 3.19Å; I135-Q138 VanDerWaalsContact O-N 3.15Å; I135-I139 HydrophobicContact CD1-CD1 3.76Å; I135-I139 HydrophobicContact CD1-CG1 4.37Å; I135-I139 HydrophobicContact CG1-CD1 4.1Å; I135-I139 PolarHBondContact O-N 3.5Å; I135-I139 VanDerWaalsContact O-N 3.12Å; I135-W154 HydrophobicContact CB-CZ2 4.41Å; I135-W154 HydrophobicContact CD1-CH2 3.46Å; I135-W154 VanDerWaalsContact CD1-CH2 3.46Å; I135-W154 HydrophobicContact CD1-CZ2 3.41Å; I135-W154 VanDerWaalsContact CD1-CZ2 3.41Å; I135-W154 HydrophobicContact CD1-CZ3 4.19Å |
| 136 | R | 95.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 68.4 Ų | 68.4 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.3 | -44.7 | -177.1 | -173.2 | -178.2 | 59.4 | 80.1 | -0.3 | 112.3 | F55 P119 N134 I139 A140 | F55-R136 HydrophobicContact CD1-CG 4.19Å; F55-R136 HydrophobicContact CD2-CG 3.45Å; F55-R136 VanDerWaalsContact CD2-CG 3.45Å; F55-R136 HydrophobicContact CE1-CG 4.08Å; F55-R136 HydrophobicContact CE2-CB 4.29Å; F55-R136 HydrophobicContact CE2-CG 3.31Å; F55-R136 WeakPolarHBondContact CE2-O 3.3Å; F55-R136 HydrophobicContact CG-CG 3.9Å; F55-R136 HydrophobicContact CZ-CB 4.35Å; F55-R136 HydrophobicContact CZ-CG 3.65Å; P119-R136 WeakPolarHBondContact O-CD 3.38Å; P119-R136 PolarHBondContact O-NE 3.5Å; N134-R136 PolarHBondContact O-N 2.87Å; R136-I139 PolarHBondContact O-N 3.26Å; R136-A140 WeakPolarHBondContact O-CB 3.47Å; R136-A140 PolarHBondContact O-N 3.47Å |
| 137 | A | 95 | Very high | 92.8 | Very high | 64 Ų | 64 | 66 Ų | 66 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I135 I139 A140 S141 | I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.32Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.87Å; A137-A140 PolarHBondContact O-N 2.87Å; A137-S141 WeakPolarHBondContact O-CB 3.2Å; A137-S141 PolarHBondContact O-N 3.39Å; A137-S141 PolarHBondContact O-OG 2.87Å |
| 138 | Q | 95.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177 | -176.7 | 178.5 | 40.8 | 0 | 0 | 111.7 | I135 S142 I150 W154 | I135-Q138 PolarHBondContact O-N 3.19Å; I135-Q138 VanDerWaalsContact O-N 3.15Å; Q138-S142 PolarHBondContact O-N 2.98Å; Q138-I150 HydrophobicContact CG-CD1 4.02Å; Q138-I150 HydrophobicContact CG-CG1 4.4Å; Q138-I150 HydrophobicContact CG-CG2 4.16Å; Q138-W154 VanDerWaalsContact OE1-CZ2 3.28Å |
| 139 | I | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -50.6 | 175 | -68.5 | 168.8 | 0 | 0 | 0 | 110.2 | L41 F55 L59 F62 V121 I135 R136 A137 S141 S142 W154 | L41-I139 HydrophobicContact CD1-CD1 4.03Å; F55-I139 HydrophobicContact CE2-CB 4.12Å; F55-I139 HydrophobicContact CE2-CG2 3.86Å; F55-I139 HydrophobicContact CZ-CB 4.13Å; F55-I139 HydrophobicContact CZ-CD1 4.22Å; F55-I139 HydrophobicContact CZ-CG2 3.85Å; L59-I139 HydrophobicContact CD1-CD1 4.07Å; L59-I139 HydrophobicContact CD1-CG2 3.93Å; F62-I139 HydrophobicContact CB-CG2 3.8Å; F62-I139 HydrophobicContact CD2-CB 4.18Å; F62-I139 HydrophobicContact CD2-CG1 4.19Å; F62-I139 HydrophobicContact CD2-CG2 3.86Å; F62-I139 HydrophobicContact CE2-CG1 4.17Å; F62-I139 HydrophobicContact CG-CG2 3.84Å; F62-I139 HydrophobicContact CZ-CG1 4.45Å; V121-I139 HydrophobicContact CB-CD1 4.35Å; V121-I139 HydrophobicContact CG1-CD1 4.02Å; V121-I139 HydrophobicContact CG2-CD1 4.36Å; I135-I139 HydrophobicContact CD1-CD1 3.76Å; I135-I139 HydrophobicContact CD1-CG1 4.37Å; I135-I139 HydrophobicContact CG1-CD1 4.1Å; I135-I139 PolarHBondContact O-N 3.5Å; I135-I139 VanDerWaalsContact O-N 3.12Å; R136-I139 PolarHBondContact O-N 3.26Å; A137-I139 VanDerWaalsContact C-N 3.32Å; A137-I139 PolarHBondContact O-N 2.87Å; I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 3.24Å; I139-S142 WeakPolarHBondContact O-CB 3.31Å; I139-S142 PolarHBondContact O-N 3.32Å; I139-S142 VanDerWaalsContact O-N 3.15Å; I139-S142 PolarHBondContact O-OG 2.91Å; I139-W154 HydrophobicContact CD1-CH2 4.24Å; I139-W154 HydrophobicContact CG1-CH2 3.97Å |
| 140 | A | 95.3 | Very high | 93.4 | Very high | 37 Ų | 37 | 66.3 Ų | 66.3 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -27.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | F55 R136 A137 | F55-A140 HydrophobicContact CD2-CB 4.34Å; F55-A140 HydrophobicContact CE2-CB 4.26Å; R136-A140 WeakPolarHBondContact O-CB 3.47Å; R136-A140 PolarHBondContact O-N 3.47Å; A137-A140 PolarHBondContact O-N 2.87Å |
| 141 | S | 94.1 | Very high | 93.4 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 63% | 0.629 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.7 | 177.2 | 66.3 | 0 | 0 | 0 | 0 | 114 | A137 I139 | A137-S141 WeakPolarHBondContact O-CB 3.2Å; A137-S141 PolarHBondContact O-N 3.39Å; A137-S141 PolarHBondContact O-OG 2.87Å; I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 3.24Å |
| 142 | S | 92.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | trans | -70.9 | 143.6 | 178.3 | 85.9 | 0 | 0 | 0 | 0 | 111 | F62 Q138 I139 | F62-S142 WeakPolarHBondContact CD2-OG 2.78Å; Q138-S142 PolarHBondContact O-N 2.98Å; I139-S142 WeakPolarHBondContact O-CB 3.31Å; I139-S142 PolarHBondContact O-N 3.32Å; I139-S142 VanDerWaalsContact O-N 3.15Å; I139-S142 PolarHBondContact O-OG 2.91Å | ||
| 143 | I | 87.3 | Confident | 93.4 | Very high | 133 Ų | 133 | 66 Ų | 66 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | trans | -132.8 | 131 | 177.7 | -55.9 | 174.1 | 0 | 0 | 0 | 108.9 | K145 R146 | I143-K145 PolarHBondContact O-N 2.91Å; I143-R146 WeakPolarHBondContact O-CB 3.35Å; I143-R146 PolarHBondContact O-N 2.88Å; I143-R146 VanDerWaalsContact O-N 3.1Å | ||
| 144 | G | 87.8 | Confident | 93.5 | Very high | 32 Ų | 32 | 60 Ų | 60 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -125.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | R146 A147 | G144-R146 PolarHBondContact O-N 3.39Å; G144-A147 PolarHBondContact O-N 3.48Å |
| 145 | K | 85.9 | Confident | 93.6 | Very high | 180 Ų | 180 | 56.3 Ų | 56.3 | 78% | 0.783 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.1 | -176.1 | -65.1 | -176.9 | -178.7 | 177.2 | 0 | 114.1 | I143 A147 K148 V149 | I143-K145 PolarHBondContact O-N 2.91Å; K145-A147 PolarHBondContact O-N 2.94Å; K145-K148 PolarHBondContact O-N 3.15Å; K145-V149 PolarHBondContact O-N 3.36Å |
| 146 | R | 92.6 | Very high | 93.5 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.8 | -33.4 | 177.2 | -167.4 | 80.1 | 178.4 | 98 | -3 | 111.8 | I143 G144 K148 V149 I150 E153 | I143-R146 WeakPolarHBondContact O-CB 3.35Å; I143-R146 PolarHBondContact O-N 2.88Å; I143-R146 VanDerWaalsContact O-N 3.1Å; G144-R146 PolarHBondContact O-N 3.39Å; R146-K148 PolarHBondContact O-N 3.3Å; R146-V149 PolarHBondContact O-N 3.24Å; R146-I150 HydrophobicContact CG-CD1 3.84Å; R146-I150 HydrophobicContact CG-CG1 4.34Å; R146-I150 WeakPolarHBondContact O-CG1 3.39Å; R146-I150 PolarHBondContact O-N 3.22Å; R146-E153 IonicContact NH1-OE1 2.64Å |
| 147 | A | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F62 Q65 I66 G144 K145 V149 I150 V151 | F62-A147 HydrophobicContact CD1-CB 4.5Å; F62-A147 HydrophobicContact CD2-CB 3.84Å; F62-A147 HydrophobicContact CE2-CB 3.85Å; F62-A147 HydrophobicContact CG-CB 4.14Å; F62-A147 HydrophobicContact CZ-CB 4.21Å; F62-A147 WeakPolarHBondContact O-CB 3.47Å; Q65-A147 HydrophobicContact CB-CB 3.86Å; I66-A147 HydrophobicContact CG2-CB 3.9Å; G144-A147 PolarHBondContact O-N 3.48Å; K145-A147 PolarHBondContact O-N 2.94Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 2.85Å; A147-I150 PolarHBondContact O-N 3.07Å; A147-V151 WeakPolarHBondContact O-CG2 3.19Å; A147-V151 PolarHBondContact O-N 3.31Å |
| 148 | K | 94 | Very high | 93.1 | Very high | 114 Ų | 114 | 57.7 Ų | 57.7 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.9 | -64.9 | -172.4 | -179.4 | -176.1 | 0 | 112 | Q65 I66 K145 R146 V151 N152 | Q65-K148 WeakPolarHBondContact O-CD 3.47Å; Q65-K148 WeakPolarHBondContact O-CE 3.27Å; Q65-K148 WeakPolarHBondContact O-CG 3.44Å; I66-K148 HydrophobicContact CG2-CG 4.28Å; K145-K148 PolarHBondContact O-N 3.15Å; R146-K148 PolarHBondContact O-N 3.3Å; K148-V151 PolarHBondContact O-N 2.95Å; K148-N152 WeakPolarHBondContact O-CB 3.33Å; K148-N152 PolarHBondContact O-N 2.78Å; K148-N152 PolarHBondContact O-ND2 2.84Å; K148-N152 PolarHBondContact O-OD1 3.35Å |
| 149 | V | 94.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | K145 R146 A147 V151 N152 E153 | K145-V149 PolarHBondContact O-N 3.36Å; R146-V149 PolarHBondContact O-N 3.24Å; A147-V149 VanDerWaalsContact C-N 3.34Å; A147-V149 PolarHBondContact O-N 2.85Å; V149-V151 PolarHBondContact O-N 2.84Å; V149-N152 PolarHBondContact O-N 3.45Å; V149-E153 WeakPolarHBondContact CG1-OE1 3.38Å; V149-E153 WeakPolarHBondContact O-CG 3.3Å; V149-E153 PolarHBondContact O-N 3.31Å |
| 150 | I | 95.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 178.2 | -69.9 | 163.5 | 0 | 0 | 0 | 111.1 | F62 Q138 R146 A147 N152 E153 W154 | F62-I150 HydrophobicContact CE2-CB 4.33Å; F62-I150 HydrophobicContact CE2-CD1 4.14Å; F62-I150 HydrophobicContact CE2-CG2 4.16Å; F62-I150 HydrophobicContact CZ-CB 4.35Å; F62-I150 HydrophobicContact CZ-CG2 4.03Å; Q138-I150 HydrophobicContact CG-CD1 4.02Å; Q138-I150 HydrophobicContact CG-CG1 4.4Å; Q138-I150 HydrophobicContact CG-CG2 4.16Å; R146-I150 HydrophobicContact CG-CD1 3.84Å; R146-I150 HydrophobicContact CG-CG1 4.34Å; R146-I150 WeakPolarHBondContact O-CG1 3.39Å; R146-I150 PolarHBondContact O-N 3.22Å; A147-I150 PolarHBondContact O-N 3.07Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.49Å; I150-E153 WeakPolarHBondContact O-CB 3.15Å; I150-E153 PolarHBondContact O-N 3.06Å; I150-W154 HydrophobicContact CG2-CD2 4Å; I150-W154 HydrophobicContact CG2-CE3 4.36Å; I150-W154 HydrophobicContact CG2-CH2 3.59Å; I150-W154 HydrophobicContact CG2-CZ2 3.16Å; I150-W154 HydrophobicContact CG2-CZ3 4.17Å; I150-W154 PolarHBondContact O-N 2.92Å; I150-W154 VanDerWaalsContact O-N 3.08Å |
| 151 | V | 95.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | F62 I66 L71 A147 K148 V149 E153 W154 V155 | F62-V151 HydrophobicContact CE1-CG2 3.73Å; F62-V151 HydrophobicContact CZ-CG2 3.75Å; I66-V151 HydrophobicContact CB-CG2 4.46Å; I66-V151 HydrophobicContact CD1-CG2 3.84Å; I66-V151 HydrophobicContact CG2-CG2 3.9Å; L71-V151 HydrophobicContact CB-CG1 4.3Å; L71-V151 HydrophobicContact CD1-CG1 4.15Å; L71-V151 HydrophobicContact CD1-CG2 3.72Å; A147-V151 WeakPolarHBondContact O-CG2 3.19Å; A147-V151 PolarHBondContact O-N 3.31Å; K148-V151 PolarHBondContact O-N 2.95Å; V149-V151 PolarHBondContact O-N 2.84Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.92Å; V151-W154 HydrophobicContact CB-CE3 4.49Å; V151-W154 HydrophobicContact CG2-CE3 4.01Å; V151-W154 HydrophobicContact CG2-CZ3 3.94Å; V151-W154 WeakPolarHBondContact O-CB 3.11Å; V151-W154 PolarHBondContact O-N 3.37Å; V151-W154 VanDerWaalsContact O-N 3.11Å; V151-V155 HydrophobicContact CG1-CG2 4.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.25Å; V151-V155 PolarHBondContact O-N 2.91Å |
| 152 | N | 94.2 | Very high | 90.4 | Very high | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 176.4 | -70.6 | -12.2 | 0 | 0 | 0 | 112.3 | K148 V149 I150 K156 | K148-N152 WeakPolarHBondContact O-CB 3.33Å; K148-N152 PolarHBondContact O-N 2.78Å; K148-N152 PolarHBondContact O-ND2 2.84Å; K148-N152 PolarHBondContact O-OD1 3.35Å; V149-N152 PolarHBondContact O-N 3.45Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.49Å; N152-K156 VanDerWaalsContact O-CG 3.29Å; N152-K156 WeakPolarHBondContact O-CG 3.44Å; N152-K156 PolarHBondContact O-N 2.72Å |
| 153 | E | 94.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.2 | -70.5 | 165.8 | -169.2 | 0 | 0 | 111.4 | R146 V149 I150 V151 K156 Q157 | R146-E153 IonicContact NH1-OE1 2.64Å; V149-E153 WeakPolarHBondContact CG1-OE1 3.38Å; V149-E153 WeakPolarHBondContact O-CG 3.3Å; V149-E153 PolarHBondContact O-N 3.31Å; I150-E153 WeakPolarHBondContact O-CB 3.15Å; I150-E153 PolarHBondContact O-N 3.06Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.92Å; E153-K156 PolarHBondContact O-N 3.36Å; E153-Q157 PolarHBondContact O-N 3.01Å |
| 154 | W | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.5 | -61.6 | -20.2 | 0 | 0 | 0 | 112.6 | V39 L41 F62 L71 L123 I135 Q138 I139 I150 V151 Q157 L158 | V39-W154 HydrophobicContact CG1-CB 4.13Å; V39-W154 HydrophobicContact CG2-CB 4.22Å; V39-W154 HydrophobicContact CG2-CE3 4.46Å; L41-W154 HydrophobicContact CD1-CH2 4.47Å; L41-W154 HydrophobicContact CD1-CZ3 4.12Å; L41-W154 HydrophobicContact CD2-CE3 4.31Å; L41-W154 HydrophobicContact CD2-CH2 4.45Å; L41-W154 HydrophobicContact CD2-CZ3 3.96Å; F62-W154 HydrophobicContact CE1-CH2 4.19Å; F62-W154 HydrophobicContact CE1-CZ3 4.04Å; F62-W154 HydrophobicContact CE2-CH2 4.36Å; F62-W154 AromaticContact CZ-CH2 3.64Å; F62-W154 HydrophobicContact CZ-CH2 3.64Å; F62-W154 AromaticContact CZ-CZ3 3.78Å; F62-W154 HydrophobicContact CZ-CZ3 3.78Å; L71-W154 HydrophobicContact CD1-CE3 4.02Å; L71-W154 HydrophobicContact CD1-CZ3 3.83Å; L123-W154 HydrophobicContact CD1-CB 4.26Å; L123-W154 HydrophobicContact CD1-CD2 4Å; L123-W154 HydrophobicContact CD1-CE3 4.02Å; L123-W154 HydrophobicContact CD1-CG 4.15Å; L123-W154 HydrophobicContact CD2-CB 3.84Å; L123-W154 HydrophobicContact CD2-CD2 3.99Å; L123-W154 HydrophobicContact CD2-CG 3.51Å; I135-W154 HydrophobicContact CB-CZ2 4.41Å; I135-W154 HydrophobicContact CD1-CH2 3.46Å; I135-W154 VanDerWaalsContact CD1-CH2 3.46Å; I135-W154 HydrophobicContact CD1-CZ2 3.41Å; I135-W154 VanDerWaalsContact CD1-CZ2 3.41Å; I135-W154 HydrophobicContact CD1-CZ3 4.19Å; Q138-W154 VanDerWaalsContact OE1-CZ2 3.28Å; I139-W154 HydrophobicContact CD1-CH2 4.24Å; I139-W154 HydrophobicContact CG1-CH2 3.97Å; I150-W154 HydrophobicContact CG2-CD2 4Å; I150-W154 HydrophobicContact CG2-CE3 4.36Å; I150-W154 HydrophobicContact CG2-CH2 3.59Å; I150-W154 HydrophobicContact CG2-CZ2 3.16Å; I150-W154 HydrophobicContact CG2-CZ3 4.17Å; I150-W154 PolarHBondContact O-N 2.92Å; I150-W154 VanDerWaalsContact O-N 3.08Å; V151-W154 HydrophobicContact CB-CE3 4.49Å; V151-W154 HydrophobicContact CG2-CE3 4.01Å; V151-W154 HydrophobicContact CG2-CZ3 3.94Å; V151-W154 WeakPolarHBondContact O-CB 3.11Å; V151-W154 PolarHBondContact O-N 3.37Å; V151-W154 VanDerWaalsContact O-N 3.11Å; W154-Q157 WeakPolarHBondContact O-CB 3Å; W154-Q157 PolarHBondContact O-N 3.49Å; W154-L158 PolarHBondContact O-N 3.44Å |
| 155 | V | 94.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V39 Q70 V151 Q157 L158 H159 | V39-V155 HydrophobicContact CG1-CG2 4.5Å; V39-V155 HydrophobicContact CG2-CG2 4.4Å; Q70-V155 HydrophobicContact CB-CG2 3.78Å; Q70-V155 HydrophobicContact CG-CG2 4.48Å; V151-V155 HydrophobicContact CG1-CG2 4.25Å; V151-V155 WeakPolarHBondContact O-CG2 3.25Å; V151-V155 PolarHBondContact O-N 2.91Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 2.54Å; V155-L158 WeakPolarHBondContact O-CB 3.33Å; V155-L158 PolarHBondContact O-N 3.36Å; V155-H159 PolarHBondContact O-N 2.72Å; V155-H159 VanDerWaalsContact O-N 3.14Å |
| 156 | K | 93.1 | Very high | 85.8 | Confident | 146 Ų | 146 | 65 Ų | 65 | 64% | 0.635 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60 | -42.4 | 172.5 | -74.8 | 174.8 | -179 | -176 | 0 | 111.6 | N152 E153 L158 H159 S160 | N152-K156 VanDerWaalsContact O-CG 3.29Å; N152-K156 WeakPolarHBondContact O-CG 3.44Å; N152-K156 PolarHBondContact O-N 2.72Å; E153-K156 PolarHBondContact O-N 3.36Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.22Å; K156-H159 PolarHBondContact O-N 3.36Å; K156-S160 PolarHBondContact O-N 3.46Å; K156-S160 PolarHBondContact O-OG 3.09Å; K156-S160 VanDerWaalsContact O-OG 3.13Å |
| 157 | Q | 91.8 | Very high | 83.8 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.2 | -173.2 | -179.4 | -10 | 0 | 0 | 112.3 | L131 E153 W154 V155 N161 | L131-Q157 PolarHBondContact O-NE2 2.78Å; E153-Q157 PolarHBondContact O-N 3.01Å; W154-Q157 WeakPolarHBondContact O-CB 3Å; W154-Q157 PolarHBondContact O-N 3.49Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 2.54Å; Q157-N161 PolarHBondContact O-N 2.05Å; Q157-N161 VanDerWaalsContact O-N 3.14Å |
| 158 | L | 90.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -54.5 | 173.9 | 178.2 | 66.7 | 0 | 0 | 0 | 110.8 | V39 D125 L131 W154 V155 K156 S160 N161 E162 | V39-L158 HydrophobicContact CG1-CB 3.91Å; V39-L158 HydrophobicContact CG1-CD2 4.02Å; V39-L158 HydrophobicContact CG1-CG 4.49Å; D125-L158 HydrophobicContact CB-CD1 3.53Å; L131-L158 HydrophobicContact CD1-CB 4.32Å; L131-L158 HydrophobicContact CD1-CD1 4.22Å; W154-L158 PolarHBondContact O-N 3.44Å; V155-L158 WeakPolarHBondContact O-CB 3.33Å; V155-L158 PolarHBondContact O-N 3.36Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-L158 PolarHBondContact O-N 3.22Å; L158-S160 PolarHBondContact O-N 2.94Å; L158-N161 WeakPolarHBondContact O-CB 3.07Å; L158-N161 PolarHBondContact O-N 3.33Å; L158-N161 VanDerWaalsContact O-N 3.13Å; L158-E162 WeakPolarHBondContact O-CG 3.15Å; L158-E162 PolarHBondContact O-N 3.04Å |
| 159 | H | 87.8 | Confident | 80.6 | Confident | 91 Ų | 91 | 78.3 Ų | 78.3 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | -178 | -59.3 | 157.2 | 0 | 0 | 0 | 113.1 | V155 K156 N161 E162 F163 | V155-H159 PolarHBondContact O-N 2.72Å; V155-H159 VanDerWaalsContact O-N 3.14Å; K156-H159 PolarHBondContact O-N 3.36Å; H159-N161 VanDerWaalsContact C-N 3.29Å; H159-N161 PolarHBondContact O-N 3.27Å; H159-E162 IonicContact CD2-OE2 3.1Å; H159-E162 PolarHBondContact O-N 3.46Å; H159-F163 PolarHBondContact O-N 3.2Å |
| 160 | S | 85.5 | Confident | 79.9 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | K156 L158 A164 | K156-S160 PolarHBondContact O-N 3.46Å; K156-S160 PolarHBondContact O-OG 3.09Å; K156-S160 VanDerWaalsContact O-OG 3.13Å; L158-S160 PolarHBondContact O-N 2.94Å; S160-A164 WeakPolarHBondContact O-CB 3.3Å; S160-A164 PolarHBondContact O-N 3.31Å |
| 161 | N | 77.3 | Confident | 79 | Confident | 47 Ų | 47 | 83 Ų | 83 | 25% | 0.251 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73 | -34.6 | 177.2 | -77 | -9.8 | 0 | 0 | 0 | 112.6 | L131 Q157 L158 H159 A164 T165 | L131-N161 WeakPolarHBondContact CD2-ND2 3.35Å; Q157-N161 PolarHBondContact O-N 2.05Å; Q157-N161 VanDerWaalsContact O-N 3.14Å; L158-N161 WeakPolarHBondContact O-CB 3.07Å; L158-N161 PolarHBondContact O-N 3.33Å; L158-N161 VanDerWaalsContact O-N 3.13Å; H159-N161 VanDerWaalsContact C-N 3.29Å; H159-N161 PolarHBondContact O-N 3.27Å; N161-A164 PolarHBondContact O-N 2.85Å; N161-T165 WeakPolarHBondContact O-CG2 3.43Å; N161-T165 PolarHBondContact O-N 3.4Å; N161-T165 VanDerWaalsContact O-N 3.14Å; N161-T165 PolarHBondContact O-OG1 3.09Å |
| 162 | E | 75.5 | Confident | 78.1 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 24% | 0.243 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 174.2 | -71.4 | 172.3 | 158.4 | 0 | 0 | 110.9 | L158 H159 A164 T165 G166 | L158-E162 WeakPolarHBondContact O-CG 3.15Å; L158-E162 PolarHBondContact O-N 3.04Å; H159-E162 IonicContact CD2-OE2 3.1Å; H159-E162 PolarHBondContact O-N 3.46Å; E162-A164 PolarHBondContact O-N 3.39Å; E162-T165 PolarHBondContact O-N 3.16Å; E162-T165 VanDerWaalsContact O-N 3.16Å; E162-T165 PolarHBondContact O-OG1 3.38Å; E162-G166 PolarHBondContact O-N 2.99Å |
| 163 | F | 70.5 | Confident | 77.1 | Confident | 190 Ų | 190 | 88 Ų | 88 | 83% | 0.833 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.1 | -165.4 | -96.4 | 0 | 0 | 0 | 112.3 | H159 T165 G166 | H159-F163 PolarHBondContact O-N 3.2Å; F163-T165 PolarHBondContact O-N 3.5Å; F163-G166 PolarHBondContact O-N 3.04Å |
| 164 | A | 69.8 | Low | 75.9 | Confident | 84 Ų | 84 | 88.7 Ų | 88.7 | 69% | 0.694 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.6 | -21.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S160 N161 E162 | S160-A164 WeakPolarHBondContact O-CB 3.3Å; S160-A164 PolarHBondContact O-N 3.31Å; N161-A164 PolarHBondContact O-N 2.85Å; E162-A164 PolarHBondContact O-N 3.39Å |
| 165 | T | 63.2 | Low | 74.5 | Confident | 75 Ų | 75 | 95 Ų | 95 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 2.6 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | N161 E162 F163 K167 | N161-T165 WeakPolarHBondContact O-CG2 3.43Å; N161-T165 PolarHBondContact O-N 3.4Å; N161-T165 VanDerWaalsContact O-N 3.14Å; N161-T165 PolarHBondContact O-OG1 3.09Å; E162-T165 PolarHBondContact O-N 3.16Å; E162-T165 VanDerWaalsContact O-N 3.16Å; E162-T165 PolarHBondContact O-OG1 3.38Å; F163-T165 PolarHBondContact O-N 3.5Å; T165-K167 PolarHBondContact O-N 2.73Å |
| 166 | G | 51.6 | Low | 73 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 74% | 0.742 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 15.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | E162 F163 | E162-G166 PolarHBondContact O-N 2.99Å; F163-G166 PolarHBondContact O-N 3.04Å |
| 167 | K | 51.3 | Low | 71.3 | Confident | 153 Ų | 153 | 97.8 Ų | 97.8 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | trans | -102 | 110.7 | 179.9 | -71.1 | -174.5 | 177.8 | -175.4 | 0 | 109.6 | T165 | T165-K167 PolarHBondContact O-N 2.73Š| ||
| 168 | K | 40.7 | Very low | 69.4 | Low | 283 Ų | 283 | 102.5 Ų | 102.5 | 100% | 1.23 | 56% | 0.555 | S | S | * | * | trans | -88.8 | 0 | 161.2 | -78.4 | -173.4 | 177.3 | -178.4 | 0 | 109.8 |
Retrieved 168 of 168 residues in 123.1 ms
(Link to these results)