| 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 | 68.7 | Low | 73.1 | Confident | 141 Ų | 141 | 113.2 Ų | 113.2 | 70% | 0.695 | 53% | 0.526 | S | S | * | . | 0 | 117.6 | 0 | -172.4 | 170.8 | -165.6 | 0 | 0 | 108.5 | T134 T177 E179 | M1-T134 HydrophobicContact CE-CG2 3.68Å; M1-T177 WeakPolarHBondContact CA-O 3.22Å; M1-T177 HydrophobicContact CE-CG2 4.18Å; M1-T177 HydrophobicContact CG-CG2 4.14Å; M1-T177 HydrophobicContact SD-CG2 4.4Å; M1-E179 HydrophobicContact CE-CB 3.65Å; M1-E179 HydrophobicContact CE-CG 4.13Å | |||
| 2 | M | 79.7 | Confident | 71.3 | Confident | 99 Ų | 99 | 118 Ų | 118 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 136 | 176.5 | -170.6 | 173.7 | -179.4 | 0 | 0 | 109.1 | L4 F167 T177 C178 E179 | M2-L4 HydrophobicContact CE-CD2 3.5Å; M2-L4 HydrophobicContact CG-CD2 3.8Å; M2-L4 HydrophobicContact SD-CD2 3.85Å; M2-F167 WeakPolarHBondContact CE-O 3.3Å; M2-T177 PolarHBondContact N-O 3.33Å; M2-C178 CarbonylContact O-C 3.58Å; M2-C178 WeakPolarHBondContact O-CA 3.15Å; M2-E179 PolarHBondContact O-N 3.02Å |
| 3 | R | 81.9 | Confident | 70.1 | Confident | 179 Ų | 179 | 113.5 Ų | 113.5 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.7 | 172.8 | -74.6 | -175.1 | 164.8 | 162.7 | -0.3 | 109.3 | E179 | R3-E179 CarbonylContact C-O 3.47Å; R3-E179 WeakPolarHBondContact CA-O 3.3Å; R3-E179 WeakPolarHBondContact CD-OE1 3.4Å; R3-E179 HydrophobicContact CG-CB 4.15Å; R3-E179 WeakPolarHBondContact CG-OE1 3.44Å; R3-E179 IonicContact CZ-OE1 3.47Å; R3-E179 IonicContact NE-OE1 2.72Å; R3-E179 PolarHBondContact NE-OE1 2.79Å; R3-E179 IonicContact NH2-OE1 3.46Å; R3-E179 PolarHBondContact NH2-OE1 2.86Å |
| 4 | L | 82.5 | Confident | 69.4 | Low | 10 Ų | 10 | 120.6 Ų | 120.6 | 5% | 0.052 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.4 | 179.3 | -55.9 | -175.7 | 0 | 0 | 0 | 110.2 | M2 F165 E166 F167 C178 E179 I181 | M2-L4 HydrophobicContact CE-CD2 3.5Å; M2-L4 HydrophobicContact CG-CD2 3.8Å; M2-L4 HydrophobicContact SD-CD2 3.85Å; L4-F165 HydrophobicContact CB-CB 4.39Å; L4-F165 HydrophobicContact CB-CD1 3.94Å; L4-F165 HydrophobicContact CD1-CB 4.08Å; L4-E166 WeakPolarHBondContact CD1-O 3.46Å; L4-E166 WeakPolarHBondContact CD2-O 3.35Å; L4-F167 HydrophobicContact CD1-CB 4.27Å; L4-F167 HydrophobicContact CD1-CD1 3.96Å; L4-F167 HydrophobicContact CD1-CD2 4.31Å; L4-F167 HydrophobicContact CD1-CE1 4.45Å; L4-F167 HydrophobicContact CD1-CG 3.89Å; L4-C178 WeakPolarHBondContact CD1-SG 3.16Å; L4-C178 WeakPolarHBondContact CG-SG 3.42Å; L4-E179 PolarHBondContact N-O 3.02Å; L4-I181 PolarHBondContact O-N 2.86Å |
| 5 | K | 80.8 | Confident | 70.1 | Confident | 155 Ų | 155 | 121.1 Ų | 121.1 | 67% | 0.674 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 146.7 | 171.8 | -68.2 | -172.1 | 175.1 | -170.5 | 0 | 109 | R7 I181 | K5-R7 PolarHBondContact O-N 3.05Å; K5-I181 HydrophobicContact CG-CD1 4.47Å |
| 6 | D | 83.3 | Confident | 71.2 | Confident | 30 Ų | 30 | 121.9 Ų | 121.9 | 16% | 0.16 | 59% | 0.588 | C | S | . | * | trans | -56.7 | 128.2 | 173.6 | -179.9 | 22.7 | 0 | 0 | 0 | 110.3 | S8 K161 F163 D164 F165 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 VanDerWaalsContact OD1-CB 3.24Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.32Å; D6-S8 PolarHBondContact OD1-OG 3.23Å; D6-S8 PolarHBondContact OD2-OG 2.69Å; D6-K161 IonicContact OD2-NZ 3.63Å; D6-F163 HydrophobicContact CB-CD1 4.29Å; D6-D164 PolarHBondContact OD1-N 3.14Å; D6-F165 HydrophobicContact CB-CE1 4.13Å; D6-F165 HydrophobicContact CB-CZ 4.43Å | ||
| 7 | R | 85.8 | Confident | 72.4 | Confident | 123 Ų | 123 | 116.1 Ų | 116.1 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | trans | -93 | -5.8 | 177.6 | -63.8 | 174.5 | 64.8 | -165 | 12.9 | 112.6 | K5 K9 D164 E166 | K5-R7 PolarHBondContact O-N 3.05Å; R7-K9 PolarHBondContact O-N 3.15Å; R7-D164 HydrophobicContact CB-CB 4.35Å; R7-D164 PolarHBondContact N-O 3.11Å; R7-E166 IonicContact CZ-OE2 3.92Å; R7-E166 IonicContact NE-OE2 2.65Å; R7-E166 IonicContact NH1-OE2 3.21Å; R7-E166 PolarHBondContact NH1-OE2 2.87Å; R7-E166 IonicContact NH2-OE2 3.45Å; R7-E166 PolarHBondContact NH2-OE2 2.85Å | ||
| 8 | S | 76.4 | Confident | 73.4 | Confident | 36 Ų | 36 | 113.7 Ų | 113.7 | 25% | 0.252 | 55% | 0.553 | S | S | . | * | trans | -57.1 | 113.8 | -175.6 | 78.9 | 0 | 0 | 0 | 0 | 110.4 | D6 S162 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 VanDerWaalsContact OD1-CB 3.24Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.32Å; D6-S8 PolarHBondContact OD1-OG 3.23Å; D6-S8 PolarHBondContact OD2-OG 2.69Å; S8-S162 PolarHBondContact OG-O 2.78Å | ||
| 9 | K | 62.2 | Low | 74.3 | Confident | 173 Ų | 173 | 109.6 Ų | 109.6 | 75% | 0.752 | 53% | 0.533 | S | S | * | . | trans | -87.2 | 130.3 | 159.6 | -66.5 | -173.3 | -179.5 | -179.4 | 0 | 105.7 | R7 E11 | R7-K9 PolarHBondContact O-N 3.15Å; K9-E11 PolarHBondContact O-N 2.66Å | ||
| 10 | V | 52 | Low | 75 | Confident | 130 Ų | 130 | 110.8 Ų | 110.8 | 79% | 0.788 | 54% | 0.538 | S | S | * | . | trans | -67.7 | 76 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 11 | E | 50.5 | Low | 75.8 | Confident | 169 Ų | 169 | 109.9 Ų | 109.9 | 79% | 0.79 | 53% | 0.532 | S | S | * | . | trans | -119.1 | 90.5 | 169.9 | -71.7 | -170.9 | 177.4 | 0 | 0 | 106.3 | K9 G13 | K9-E11 PolarHBondContact O-N 2.66Å; E11-G13 PolarHBondContact O-N 2.74Å | ||
| 12 | M | 52 | Low | 76.9 | Confident | 171 Ų | 171 | 103.1 Ų | 103.1 | 84% | 0.842 | 50% | 0.499 | S | S | * | . | trans | -63.1 | 101.1 | 166.7 | -72 | -176.6 | 61.3 | 0 | 0 | 107.6 | ||||
| 13 | G | 55.1 | Low | 77.4 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | trans | -57.9 | 138.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E11 E15 | E11-G13 PolarHBondContact O-N 2.74Å; G13-E15 PolarHBondContact O-N 2.89Å | ||
| 14 | K | 61.3 | Low | 77.9 | Confident | 212 Ų | 212 | 103.4 Ų | 103.4 | 92% | 0.922 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -69.1 | -10.9 | 179.4 | -74.8 | -178.5 | 176.1 | 178.1 | 0 | 113.9 | ||
| 15 | E | 79.7 | Confident | 78.4 | Confident | 128 Ų | 128 | 105.8 Ų | 105.8 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | trans | -101.5 | 113.6 | -177.9 | -67.1 | -179.3 | 178.7 | 0 | 0 | 109.3 | G13 K35 | G13-E15 PolarHBondContact O-N 2.89Å; E15-K35 HydrophobicContact CB-CD 4.29Å; E15-K35 WeakPolarHBondContact O-CB 3.45Å; E15-K35 WeakPolarHBondContact O-CG 3.23Å; E15-K35 IonicContact OE2-NZ 3.75Å; E15-K35 PolarHBondContact OE2-NZ 2.93Å | ||
| 16 | E | 88 | Confident | 79 | Confident | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | trans | -89.9 | 144.4 | 170 | -57.4 | -173.1 | 146.9 | 0 | 0 | 108.9 | N37 | E16-N37 PolarHBondContact OE1-ND2 3.2Å; E16-N37 PolarHBondContact OE2-ND2 2.94Å | ||
| 17 | I | 90.5 | Very high | 79.5 | Confident | 23 Ų | 23 | 106.1 Ų | 106.1 | 12% | 0.118 | 53% | 0.526 | C | S | . | . | trans | -119.7 | 137.9 | 171.2 | -165 | 163.6 | 0 | 0 | 0 | 109.2 | E21 L22 L25 D32 K35 L36 | I17-E21 HydrophobicContact CD1-CB 4.15Å; I17-E21 HydrophobicContact CG1-CB 3.67Å; I17-L22 HydrophobicContact CD1-CD2 3.65Å; I17-L22 HydrophobicContact CD1-CG 3.97Å; I17-L22 HydrophobicContact CG1-CD2 4.24Å; I17-L22 HydrophobicContact CG1-CG 4.06Å; I17-L22 HydrophobicContact CG2-CD1 4.02Å; I17-L22 HydrophobicContact CG2-CD2 3.86Å; I17-L22 HydrophobicContact CG2-CG 3.8Å; I17-L25 HydrophobicContact CD1-CD1 4.36Å; I17-D32 WeakPolarHBondContact CG2-O 3.35Å; I17-K35 HydrophobicContact CB-CB 4.07Å; I17-K35 HydrophobicContact CG2-CB 3.56Å; I17-K35 PolarHBondContact N-O 3.19Å; I17-L36 HydrophobicContact CG2-CD2 4.43Å | ||
| 18 | T | 90.4 | Very high | 80 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | trans | -80 | 153.9 | 172.7 | 64.2 | 0 | 0 | 0 | 0 | 110.6 | E20 E21 L22 | T18-E20 PolarHBondContact O-N 3.47Å; T18-E21 WeakPolarHBondContact CB-OE2 3.48Å; T18-E21 PolarHBondContact N-OE2 3.04Å; T18-E21 PolarHBondContact O-N 3.02Å; T18-E21 VanDerWaalsContact O-N 3.15Å; T18-E21 WeakPolarHBondContact OG1-CB 3.24Å; T18-E21 WeakPolarHBondContact OG1-CG 3.25Å; T18-E21 PolarHBondContact OG1-N 3.41Å; T18-E21 PolarHBondContact OG1-OE2 3.24Å; T18-L22 PolarHBondContact O-N 3.19Å | ||
| 19 | E | 90.7 | Very high | 81 | Confident | 36 Ų | 36 | 101 Ų | 101 | 17% | 0.168 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -58.5 | -36.3 | 173.4 | -175.1 | -172.1 | 158.8 | 0 | 0 | 112.2 | E21 L22 R23 T40 K41 L56 | E19-E21 VanDerWaalsContact C-N 3.31Å; E19-E21 PolarHBondContact O-N 3.3Å; E19-L22 WeakPolarHBondContact O-CB 3.4Å; E19-L22 PolarHBondContact O-N 3.18Å; E19-R23 HydrophobicContact CG-CG 4.42Å; E19-R23 WeakPolarHBondContact O-CB 3.2Å; E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.22Å; E19-R23 PolarHBondContact O-N 2.87Å; E19-R23 IonicContact OE1-CZ 2.73Å; E19-R23 IonicContact OE1-NE 2.72Å; E19-R23 PolarHBondContact OE1-NE 3.45Å; E19-R23 IonicContact OE1-NH2 3.18Å; E19-R23 PolarHBondContact OE1-NH2 3.04Å; E19-T40 HydrophobicContact CG-CG2 4.06Å; E19-T40 WeakPolarHBondContact OE2-CA 3.2Å; E19-K41 PolarHBondContact OE2-N 2.92Å; E19-L56 HydrophobicContact CG-CD2 4.22Å |
| 20 | E | 89.3 | Confident | 82.6 | Confident | 134 Ų | 134 | 92.8 Ų | 92.8 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 176.5 | -66.7 | -177.9 | -162.5 | 0 | 0 | 112.4 | T18 R24 | T18-E20 PolarHBondContact O-N 3.47Å; E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.47Å; E20-R24 PolarHBondContact O-N 2.72Å; E20-R24 IonicContact OE2-NH2 3.91Å |
| 21 | E | 91.5 | Very high | 84.6 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 43% | 0.425 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 174.8 | -72.9 | 161.9 | 147.4 | 0 | 0 | 111.2 | I17 T18 E19 R23 R24 | I17-E21 HydrophobicContact CD1-CB 4.15Å; I17-E21 HydrophobicContact CG1-CB 3.67Å; T18-E21 WeakPolarHBondContact CB-OE2 3.48Å; T18-E21 PolarHBondContact N-OE2 3.04Å; T18-E21 PolarHBondContact O-N 3.02Å; T18-E21 VanDerWaalsContact O-N 3.15Å; T18-E21 WeakPolarHBondContact OG1-CB 3.24Å; T18-E21 WeakPolarHBondContact OG1-CG 3.25Å; T18-E21 PolarHBondContact OG1-N 3.41Å; T18-E21 PolarHBondContact OG1-OE2 3.24Å; E19-E21 VanDerWaalsContact C-N 3.31Å; E19-E21 PolarHBondContact O-N 3.3Å; E21-R23 VanDerWaalsContact C-N 3.35Å; E21-R23 PolarHBondContact O-N 3.01Å; E21-R24 PolarHBondContact O-N 3.41Å; E21-R24 VanDerWaalsContact O-N 3.14Å |
| 22 | L | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.1 | -75.6 | 176.2 | 0 | 0 | 0 | 112.6 | I17 T18 E19 R24 L25 D32 L36 L56 | I17-L22 HydrophobicContact CD1-CD2 3.65Å; I17-L22 HydrophobicContact CD1-CG 3.97Å; I17-L22 HydrophobicContact CG1-CD2 4.24Å; I17-L22 HydrophobicContact CG1-CG 4.06Å; I17-L22 HydrophobicContact CG2-CD1 4.02Å; I17-L22 HydrophobicContact CG2-CD2 3.86Å; I17-L22 HydrophobicContact CG2-CG 3.8Å; T18-L22 PolarHBondContact O-N 3.19Å; E19-L22 WeakPolarHBondContact O-CB 3.4Å; E19-L22 PolarHBondContact O-N 3.18Å; L22-R24 PolarHBondContact O-N 3.13Å; L22-R24 VanDerWaalsContact O-N 3.16Å; L22-L25 HydrophobicContact CD2-CD1 3.98Å; L22-L25 WeakPolarHBondContact O-CB 3.26Å; L22-L25 PolarHBondContact O-N 3.41Å; L22-D32 HydrophobicContact CD2-CB 3.42Å; L22-D32 VanDerWaalsContact CD2-CB 3.42Å; L22-L36 HydrophobicContact CD1-CD1 3.64Å; L22-L36 HydrophobicContact CD1-CD2 3.38Å; L22-L36 HydrophobicContact CD1-CG 3.51Å; L22-L56 HydrophobicContact CD1-CD1 4.41Å |
| 23 | R | 90.5 | Very high | 88.8 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.8 | -179.8 | -72.7 | 176.3 | 178.9 | -76.8 | 3.8 | 113.4 | E19 E21 A53 D54 Y55 L56 | E19-R23 HydrophobicContact CG-CG 4.42Å; E19-R23 WeakPolarHBondContact O-CB 3.2Å; E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.22Å; E19-R23 PolarHBondContact O-N 2.87Å; E19-R23 IonicContact OE1-CZ 2.73Å; E19-R23 IonicContact OE1-NE 2.72Å; E19-R23 PolarHBondContact OE1-NE 3.45Å; E19-R23 IonicContact OE1-NH2 3.18Å; E19-R23 PolarHBondContact OE1-NH2 3.04Å; E21-R23 VanDerWaalsContact C-N 3.35Å; E21-R23 PolarHBondContact O-N 3.01Å; R23-A53 VanDerWaalsContact CZ-O 3.23Å; R23-A53 PolarHBondContact NH1-O 3.34Å; R23-A53 PolarHBondContact NH2-O 2.73Å; R23-D54 PolarHBondContact NH2-O 2.72Å; R23-Y55 PolarHBondContact NH1-O 2.9Å; R23-L56 HydrophobicContact CG-CD2 3.85Å |
| 24 | R | 91.4 | Very high | 90.6 | Very high | 190 Ų | 190 | 74.8 Ų | 74.8 | 72% | 0.717 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -10.7 | 175.6 | -68 | 170.8 | -170 | 174.8 | 8.8 | 112.9 | E20 E21 L22 | E20-R24 VanDerWaalsContact O-CG 3.31Å; E20-R24 WeakPolarHBondContact O-CG 3.47Å; E20-R24 PolarHBondContact O-N 2.72Å; E20-R24 IonicContact OE2-NH2 3.91Å; E21-R24 PolarHBondContact O-N 3.41Å; E21-R24 VanDerWaalsContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.13Å; L22-R24 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 92.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 68 Ų | 68 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -70.6 | 140.2 | 177.6 | -62.4 | 177.6 | 0 | 0 | 0 | 110.1 | I17 L22 V27 I28 D32 | I17-L25 HydrophobicContact CD1-CD1 4.36Å; L22-L25 HydrophobicContact CD2-CD1 3.98Å; L22-L25 WeakPolarHBondContact O-CB 3.26Å; L22-L25 PolarHBondContact O-N 3.41Å; L25-V27 VanDerWaalsContact C-N 3.27Å; L25-V27 PolarHBondContact O-N 3.29Å; L25-I28 HydrophobicContact CB-CG1 4.44Å; L25-D32 HydrophobicContact CD1-CB 4.06Å |
| 26 | P | 92.6 | Very high | 92.7 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 84% | 0.838 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -67.9 | -30.6 | 176 | 27.6 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 27 | V | 94.7 | Very high | 92.7 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -140.9 | 126.7 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 107 | L25 T29 Q213 | L25-V27 VanDerWaalsContact C-N 3.27Å; L25-V27 PolarHBondContact O-N 3.29Å; V27-T29 HydrophobicContact CG1-CG2 4.39Å; V27-Q213 HydrophobicContact CG1-CB 4.02Å; V27-Q213 HydrophobicContact CG1-CG 3.95Å |
| 28 | I | 96.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | trans | -91.4 | 125.4 | 174.1 | -61.7 | 172.3 | 0 | 0 | 0 | 108 | L25 D32 V33 L56 L214 | L25-I28 HydrophobicContact CB-CG1 4.44Å; I28-D32 HydrophobicContact CG2-CB 4.41Å; I28-V33 HydrophobicContact CG2-CG1 3.78Å; I28-L56 HydrophobicContact CD1-CB 3.91Å; I28-L56 HydrophobicContact CD1-CD1 4.21Å; I28-L56 HydrophobicContact CD1-CD2 4.4Å; I28-L56 HydrophobicContact CD1-CG 4.41Å; I28-L214 HydrophobicContact CB-CB 4.06Å; I28-L214 HydrophobicContact CB-CD2 4.21Å; I28-L214 HydrophobicContact CD1-CD2 4.12Å; I28-L214 HydrophobicContact CG2-CB 4.36Å; I28-L214 HydrophobicContact CG2-CD2 4.22Å; I28-L214 WeakPolarHBondContact O-CB 3.49Å; I28-L214 PolarHBondContact O-N 2.75Å | ||
| 29 | T | 96.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | trans | -108.8 | 165.7 | -177.2 | 73.9 | 0 | 0 | 0 | 0 | 112 | V27 A31 D32 V33 E212 | V27-T29 HydrophobicContact CG1-CG2 4.39Å; T29-A31 PolarHBondContact O-N 3.42Å; T29-A31 PolarHBondContact OG1-N 2.98Å; T29-D32 WeakPolarHBondContact CA-OD2 3.48Å; T29-D32 WeakPolarHBondContact CB-OD2 3.4Å; T29-D32 PolarHBondContact N-OD2 2.92Å; T29-D32 PolarHBondContact O-N 3.3Å; T29-D32 VanDerWaalsContact OG1-CG 3.24Å; T29-D32 PolarHBondContact OG1-OD2 3.43Å; T29-V33 PolarHBondContact O-N 3.3Å; T29-E212 WeakPolarHBondContact CA-O 3.45Å; T29-E212 WeakPolarHBondContact CG2-O 3.34Å | ||
| 30 | P | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53 | -37.6 | 171.8 | -30.9 | 38.5 | 0 | 0 | 0 | 113.5 | D32 V33 L34 R148 I150 F209 E212 | P30-D32 VanDerWaalsContact C-N 3.26Å; P30-D32 PolarHBondContact O-N 2.93Å; P30-V33 WeakPolarHBondContact O-CG2 3.2Å; P30-L34 WeakPolarHBondContact O-CD1 3.45Å; P30-L34 VanDerWaalsContact O-CG 3.24Å; P30-L34 WeakPolarHBondContact O-CG 3.31Å; P30-L34 PolarHBondContact O-N 3.13Å; P30-R148 VanDerWaalsContact CB-NH1 3.26Å; P30-I150 HydrophobicContact CB-CD1 3.72Å; P30-F209 HydrophobicContact CB-CE2 4.49Å; P30-F209 VanDerWaalsContact CD-CD1 3.48Å; P30-F209 HydrophobicContact CG-CB 4.12Å; P30-F209 HydrophobicContact CG-CD1 3.74Å; P30-F209 HydrophobicContact CG-CD2 3.94Å; P30-F209 HydrophobicContact CG-CE1 4.11Å; P30-F209 HydrophobicContact CG-CE2 4.27Å; P30-F209 HydrophobicContact CG-CG 3.66Å; P30-F209 HydrophobicContact CG-CZ 4.36Å; P30-E212 WeakPolarHBondContact CD-O 3.35Å; P30-E212 VanDerWaalsContact CD-OE2 3.25Å; P30-E212 WeakPolarHBondContact CD-OE2 2.96Å; P30-E212 VanDerWaalsContact CG-OE2 3.27Å; P30-E212 WeakPolarHBondContact CG-OE2 3.33Å |
| 31 | A | 94.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 45% | 0.446 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T29 K35 | T29-A31 PolarHBondContact O-N 3.42Å; T29-A31 PolarHBondContact OG1-N 2.98Å; A31-K35 WeakPolarHBondContact O-CG 3.08Å |
| 32 | D | 94.7 | Very high | 91 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.7 | -45.5 | -177.7 | -54.9 | -50.5 | 0 | 0 | 0 | 111.1 | I17 L22 L25 I28 T29 P30 L34 K35 | I17-D32 WeakPolarHBondContact CG2-O 3.35Å; L22-D32 HydrophobicContact CD2-CB 3.42Å; L22-D32 VanDerWaalsContact CD2-CB 3.42Å; L25-D32 HydrophobicContact CD1-CB 4.06Å; I28-D32 HydrophobicContact CG2-CB 4.41Å; T29-D32 WeakPolarHBondContact CA-OD2 3.48Å; T29-D32 WeakPolarHBondContact CB-OD2 3.4Å; T29-D32 PolarHBondContact N-OD2 2.92Å; T29-D32 PolarHBondContact O-N 3.3Å; T29-D32 VanDerWaalsContact OG1-CG 3.24Å; T29-D32 PolarHBondContact OG1-OD2 3.43Å; P30-D32 VanDerWaalsContact C-N 3.26Å; P30-D32 PolarHBondContact O-N 2.93Å; D32-L34 VanDerWaalsContact C-N 3.29Å; D32-L34 PolarHBondContact O-N 3.4Å; D32-K35 WeakPolarHBondContact O-CB 3.49Å; D32-K35 PolarHBondContact O-N 3.18Å; D32-K35 VanDerWaalsContact O-N 3.17Å |
| 33 | V | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -25.1 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | I28 T29 P30 K35 L36 I150 R152 F207 F209 | I28-V33 HydrophobicContact CG2-CG1 3.78Å; T29-V33 PolarHBondContact O-N 3.3Å; P30-V33 WeakPolarHBondContact O-CG2 3.2Å; V33-K35 PolarHBondContact O-N 3.09Å; V33-L36 HydrophobicContact CB-CD1 4.31Å; V33-L36 WeakPolarHBondContact O-CB 3.21Å; V33-L36 PolarHBondContact O-N 2.91Å; V33-L36 VanDerWaalsContact O-N 3.16Å; V33-I150 HydrophobicContact CG2-CB 4.27Å; V33-I150 HydrophobicContact CG2-CD1 3.96Å; V33-I150 HydrophobicContact CG2-CG2 4.16Å; V33-R152 WeakPolarHBondContact O-CD 3.31Å; V33-F207 HydrophobicContact CB-CD2 3.79Å; V33-F207 HydrophobicContact CB-CE2 3.92Å; V33-F207 HydrophobicContact CB-CG 4.18Å; V33-F207 HydrophobicContact CB-CZ 4.4Å; V33-F207 HydrophobicContact CG1-CB 4.48Å; V33-F207 HydrophobicContact CG1-CD1 4.03Å; V33-F207 HydrophobicContact CG1-CD2 4.04Å; V33-F207 HydrophobicContact CG1-CE1 4.23Å; V33-F207 HydrophobicContact CG1-CE2 4.23Å; V33-F207 HydrophobicContact CG1-CG 3.92Å; V33-F207 HydrophobicContact CG1-CZ 4.31Å; V33-F207 HydrophobicContact CG2-CB 4.44Å; V33-F207 HydrophobicContact CG2-CD2 3.94Å; V33-F207 HydrophobicContact CG2-CG 4.29Å; V33-F209 HydrophobicContact CB-CZ 4.4Å; V33-F209 HydrophobicContact CG1-CZ 3.92Å; V33-F209 HydrophobicContact CG2-CE2 3.94Å; V33-F209 HydrophobicContact CG2-CZ 3.56Å |
| 34 | L | 94.2 | Very high | 86.5 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -23.5 | 174.5 | -74.7 | 169.7 | 0 | 0 | 0 | 112.5 | P30 D32 L36 I150 R152 | P30-L34 WeakPolarHBondContact O-CD1 3.45Å; P30-L34 VanDerWaalsContact O-CG 3.24Å; P30-L34 WeakPolarHBondContact O-CG 3.31Å; P30-L34 PolarHBondContact O-N 3.13Å; D32-L34 VanDerWaalsContact C-N 3.29Å; D32-L34 PolarHBondContact O-N 3.4Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-I150 HydrophobicContact CD1-CD1 4.11Å; L34-I150 HydrophobicContact CD2-CD1 4.06Å; L34-I150 HydrophobicContact CD2-CG2 4.04Å; L34-I150 HydrophobicContact CG-CD1 3.86Å; L34-R152 PolarHBondContact O-NH2 2.58Å; L34-R152 VanDerWaalsContact O-NH2 3.1Å |
| 35 | K | 92.4 | Very high | 84.2 | Confident | 70 Ų | 70 | 54 Ų | 54 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.8 | 176.2 | -62.3 | -179.6 | -172.6 | -167.3 | 0 | 113.7 | E15 I17 A31 D32 V33 N37 | E15-K35 HydrophobicContact CB-CD 4.29Å; E15-K35 WeakPolarHBondContact O-CB 3.45Å; E15-K35 WeakPolarHBondContact O-CG 3.23Å; E15-K35 IonicContact OE2-NZ 3.75Å; E15-K35 PolarHBondContact OE2-NZ 2.93Å; I17-K35 HydrophobicContact CB-CB 4.07Å; I17-K35 HydrophobicContact CG2-CB 3.56Å; I17-K35 PolarHBondContact N-O 3.19Å; A31-K35 WeakPolarHBondContact O-CG 3.08Å; D32-K35 WeakPolarHBondContact O-CB 3.49Å; D32-K35 PolarHBondContact O-N 3.18Å; D32-K35 VanDerWaalsContact O-N 3.17Å; V33-K35 PolarHBondContact O-N 3.09Å; K35-N37 PolarHBondContact O-N 2.82Å |
| 36 | L | 91.6 | Very high | 81.8 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | trans | -71.4 | 121.9 | 176.4 | -79 | 171.6 | 0 | 0 | 0 | 111.6 | I17 L22 V33 L34 T40 R152 F207 | I17-L36 HydrophobicContact CG2-CD2 4.43Å; L22-L36 HydrophobicContact CD1-CD1 3.64Å; L22-L36 HydrophobicContact CD1-CD2 3.38Å; L22-L36 HydrophobicContact CD1-CG 3.51Å; V33-L36 HydrophobicContact CB-CD1 4.31Å; V33-L36 WeakPolarHBondContact O-CB 3.21Å; V33-L36 PolarHBondContact O-N 2.91Å; V33-L36 VanDerWaalsContact O-N 3.16Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L36-T40 HydrophobicContact CD1-CG2 3.77Å; L36-T40 HydrophobicContact CD2-CG2 4.4Å; L36-R152 VanDerWaalsContact O-CZ 3.31Å; L36-R152 PolarHBondContact O-NE 2.87Å; L36-R152 VanDerWaalsContact O-NE 3.17Å; L36-R152 PolarHBondContact O-NH2 2.85Å; L36-F207 HydrophobicContact CD1-CE2 4.17Å; L36-F207 HydrophobicContact CD1-CZ 3.69Å | ||
| 37 | N | 88.3 | Confident | 79.4 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | trans | -98.9 | -1.4 | 175.4 | 65.7 | -7.8 | 0 | 0 | 0 | 113.8 | E16 K35 | E16-N37 PolarHBondContact OE1-ND2 3.2Å; E16-N37 PolarHBondContact OE2-ND2 2.94Å; K35-N37 PolarHBondContact O-N 2.82Å | ||
| 38 | R | 90.2 | Very high | 77.2 | Confident | 127 Ų | 127 | 61.6 Ų | 61.6 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -138.6 | 161.3 | 179.2 | -61.6 | -176.5 | -175.5 | 173.8 | -0.5 | 111 | F154 D157 | R38-F154 VanDerWaalsContact C-CE1 3.46Å; R38-F154 VanDerWaalsContact C-CZ 3.46Å; R38-F154 WeakPolarHBondContact O-CZ 3.49Å; R38-D157 HydrophobicContact CG-CB 4.06Å |
| 39 | I | 92.6 | Very high | 75.1 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.087 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 139 | 168.4 | -165.5 | 73.8 | 0 | 0 | 0 | 109.1 | K41 F154 R203 S204 D205 | I39-K41 PolarHBondContact O-N 2.8Å; I39-F154 HydrophobicContact CB-CD2 3.96Å; I39-F154 HydrophobicContact CB-CE2 4.44Å; I39-F154 HydrophobicContact CB-CG 4.32Å; I39-F154 HydrophobicContact CD1-CD2 3.76Å; I39-F154 HydrophobicContact CD1-CE2 4.15Å; I39-F154 HydrophobicContact CG1-CD2 4.49Å; I39-R203 HydrophobicContact CD1-CB 3.84Å; I39-R203 HydrophobicContact CG1-CB 4Å; I39-S204 VanDerWaalsContact CD1-C 3.42Å; I39-D205 HydrophobicContact CD1-CB 4.24Å; I39-D205 VanDerWaalsContact CD1-CG 3.43Å; I39-D205 WeakPolarHBondContact CD1-OD1 3.38Å; I39-D205 WeakPolarHBondContact CD1-OD2 3.36Å |
| 40 | T | 91.4 | Very high | 73.2 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.025 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 127.8 | 172.2 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | E19 L36 L56 D205 F207 H217 K219 | E19-T40 HydrophobicContact CG-CG2 4.06Å; E19-T40 WeakPolarHBondContact OE2-CA 3.2Å; L36-T40 HydrophobicContact CD1-CG2 3.77Å; L36-T40 HydrophobicContact CD2-CG2 4.4Å; T40-L56 HydrophobicContact CG2-CD1 4.15Å; T40-L56 HydrophobicContact CG2-CD2 4.36Å; T40-L56 HydrophobicContact CG2-CG 4.31Å; T40-D205 WeakPolarHBondContact CB-OD2 3.33Å; T40-D205 PolarHBondContact N-OD2 2.85Å; T40-D205 PolarHBondContact OG1-OD1 2.79Å; T40-D205 VanDerWaalsContact OG1-OD1 3.12Å; T40-D205 PolarHBondContact OG1-OD2 3.03Å; T40-F207 HydrophobicContact CG2-CZ 4.4Å; T40-H217 PolarHBondContact OG1-CE1 3.03Å; T40-K219 PolarHBondContact O-NZ 2.9Å; T40-K219 PolarHBondContact OG1-NZ 2.82Å |
| 41 | K | 80.8 | Confident | 71.5 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 145.9 | -171.1 | -66.2 | -174.9 | 177.2 | -174.6 | 0 | 110.7 | E19 I39 S43 | E19-K41 PolarHBondContact OE2-N 2.92Å; I39-K41 PolarHBondContact O-N 2.8Å; K41-S43 PolarHBondContact O-N 2.86Å |
| 42 | A | 61.9 | Low | 69.8 | Low | 38 Ų | 38 | 69.2 Ų | 69.2 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 128 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S44 L50 D54 | A42-S44 PolarHBondContact O-N 3.1Å; A42-L50 HydrophobicContact CB-CD2 4.33Å; A42-D54 WeakPolarHBondContact CA-OD1 3.44Å; A42-D54 HydrophobicContact CB-CB 4Å; A42-D54 WeakPolarHBondContact CB-OD2 3.39Å |
| 43 | S | 48.1 | Very low | 68.4 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -57.3 | -17.2 | 175 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | K41 D54 | K41-S43 PolarHBondContact O-N 2.86Å; S43-D54 PolarHBondContact N-OD1 3.43Å; S43-D54 PolarHBondContact OG-OD1 2.9Å |
| 44 | S | 40 | Very low | 67.6 | Low | 57 Ų | 57 | 70.4 Ų | 70.4 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | trans | -112.7 | 111.6 | 170 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | A42 V46 | A42-S44 PolarHBondContact O-N 3.1Å; S44-V46 PolarHBondContact O-N 2.77Å; S44-V46 VanDerWaalsContact O-N 3.15Å; S44-V46 PolarHBondContact OG-N 2.94Å; S44-V46 PolarHBondContact OG-O 2.64Å; S44-V46 VanDerWaalsContact OG-O 3.05Å | ||
| 45 | A | 42.2 | Very low | 67.4 | Low | 109 Ų | 109 | 67.2 Ų | 67.2 | 90% | 0.901 | 39% | 0.391 | S | S | * | . | trans | -73.1 | 11.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 46 | V | 43 | Very low | 67.4 | Low | 99 Ų | 99 | 64.9 Ų | 64.9 | 60% | 0.6 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -123.1 | 116.9 | -171.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | S44 | S44-V46 PolarHBondContact O-N 2.77Å; S44-V46 VanDerWaalsContact O-N 3.15Å; S44-V46 PolarHBondContact OG-N 2.94Å; S44-V46 PolarHBondContact OG-O 2.64Å; S44-V46 VanDerWaalsContact OG-O 3.05Å |
| 47 | L | 42 | Very low | 67.4 | Low | 143 Ų | 143 | 65.4 Ų | 65.4 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 48.8 | 98.7 | 171.3 | -84.3 | 97.2 | 0 | 0 | 0 | 117.7 | V49 | L47-V49 PolarHBondContact O-N 3.03Š|
| 48 | N | 50.2 | Low | 67.4 | Low | 170 Ų | 170 | 63.3 Ų | 63.3 | 91% | 0.909 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 38.7 | 16 | 141.2 | -70 | -8.5 | 0 | 0 | 0 | 121.1 | ||
| 49 | V | 52.2 | Low | 67.3 | Low | 109 Ų | 109 | 59.9 Ų | 59.9 | 66% | 0.661 | 38% | 0.376 | S | S | * | . | trans | -125.4 | 104.2 | 177.6 | -175 | 0 | 0 | 0 | 0 | 107.5 | L47 S51 | L47-V49 PolarHBondContact O-N 3.03Å; V49-S51 PolarHBondContact O-N 2.96Å | ||
| 50 | L | 56.7 | Low | 67.2 | Low | 47 Ų | 47 | 66 Ų | 66 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | trans | -65.3 | 114.5 | 171.5 | -72.7 | 167.6 | 0 | 0 | 0 | 108.6 | A42 D54 T112 F116 | A42-L50 HydrophobicContact CB-CD2 4.33Å; L50-D54 WeakPolarHBondContact CA-OD2 3.43Å; L50-D54 HydrophobicContact CD2-CB 4.31Å; L50-T112 PolarHBondContact O-OG1 3.22Å; L50-F116 HydrophobicContact CD1-CB 3.52Å; L50-F116 HydrophobicContact CD1-CD1 4.12Å; L50-F116 HydrophobicContact CD1-CD2 3.33Å; L50-F116 HydrophobicContact CD1-CE2 4Å; L50-F116 HydrophobicContact CD1-CG 3.37Å | ||
| 51 | S | 59.1 | Low | 67.3 | Low | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | trans | -83.6 | 155.7 | 175.1 | 82.5 | 0 | 0 | 0 | 0 | 110.2 | V49 A53 D54 | V49-S51 PolarHBondContact O-N 2.96Å; S51-A53 PolarHBondContact O-N 3.48Å; S51-A53 VanDerWaalsContact O-N 3.1Å; S51-A53 WeakPolarHBondContact OG-CB 3.49Å; S51-A53 PolarHBondContact OG-N 3.01Å; S51-D54 PolarHBondContact N-OD2 3.34Å; S51-D54 WeakPolarHBondContact O-CB 3.27Å; S51-D54 VanDerWaalsContact O-CG 3.31Å; S51-D54 PolarHBondContact O-N 2.92Å; S51-D54 VanDerWaalsContact OG-CG 3.28Å; S51-D54 PolarHBondContact OG-OD1 3.34Å; S51-D54 PolarHBondContact OG-OD2 3.17Å | ||
| 52 | V | 59 | Low | 67.9 | Low | 68 Ų | 68 | 63.2 Ų | 63.2 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -55.3 | -29.8 | 173.3 | -180 | 0 | 0 | 0 | 0 | 111.6 | D54 Y55 P111 T112 | V52-D54 PolarHBondContact O-N 2.81Å; V52-D54 VanDerWaalsContact O-N 3.17Å; V52-Y55 PolarHBondContact O-N 2.85Å; V52-P111 HydrophobicContact CG2-CB 4.21Å; V52-P111 HydrophobicContact CG2-CG 3.6Å; V52-T112 HydrophobicContact CG2-CG2 3.96Å |
| 53 | A | 65.7 | Low | 69.5 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -67 | -11.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R23 S51 Y55 | R23-A53 VanDerWaalsContact CZ-O 3.23Å; R23-A53 PolarHBondContact NH1-O 3.34Å; R23-A53 PolarHBondContact NH2-O 2.73Å; S51-A53 PolarHBondContact O-N 3.48Å; S51-A53 VanDerWaalsContact O-N 3.1Å; S51-A53 WeakPolarHBondContact OG-CB 3.49Å; S51-A53 PolarHBondContact OG-N 3.01Å; A53-Y55 VanDerWaalsContact C-N 3.32Å |
| 54 | D | 78.6 | Confident | 71.8 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -83.3 | -13.7 | -179 | -57.1 | -16.2 | 0 | 0 | 0 | 112.4 | R23 A42 S43 L50 S51 V52 K219 | R23-D54 PolarHBondContact NH2-O 2.72Å; A42-D54 WeakPolarHBondContact CA-OD1 3.44Å; A42-D54 HydrophobicContact CB-CB 4Å; A42-D54 WeakPolarHBondContact CB-OD2 3.39Å; S43-D54 PolarHBondContact N-OD1 3.43Å; S43-D54 PolarHBondContact OG-OD1 2.9Å; L50-D54 WeakPolarHBondContact CA-OD2 3.43Å; L50-D54 HydrophobicContact CD2-CB 4.31Å; S51-D54 PolarHBondContact N-OD2 3.34Å; S51-D54 WeakPolarHBondContact O-CB 3.27Å; S51-D54 VanDerWaalsContact O-CG 3.31Å; S51-D54 PolarHBondContact O-N 2.92Å; S51-D54 VanDerWaalsContact OG-CG 3.28Å; S51-D54 PolarHBondContact OG-OD1 3.34Å; S51-D54 PolarHBondContact OG-OD2 3.17Å; V52-D54 PolarHBondContact O-N 2.81Å; V52-D54 VanDerWaalsContact O-N 3.17Å; D54-K219 WeakPolarHBondContact O-CE 3.17Å |
| 55 | Y | 89.6 | Confident | 74.3 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -96.6 | 157.7 | 175.5 | -63 | -85.8 | 0 | 0 | 0 | 111 | R23 V52 A53 C57 T112 R115 H217 K219 | R23-Y55 PolarHBondContact NH1-O 2.9Å; V52-Y55 PolarHBondContact O-N 2.85Å; A53-Y55 VanDerWaalsContact C-N 3.32Å; Y55-C57 VanDerWaalsContact C-N 3.33Å; Y55-T112 HydrophobicContact CD2-CG2 4.25Å; Y55-T112 HydrophobicContact CE2-CG2 3.78Å; Y55-R115 HydrophobicContact CE1-CB 3.84Å; Y55-R115 HydrophobicContact CE2-CB 4.44Å; Y55-R115 WeakPolarHBondContact OH-CB 3.24Å; Y55-R115 PolarHBondContact OH-O 3.16Å; Y55-H217 HydrophobicContact CD1-CB 4.32Å; Y55-H217 AromaticContact CD1-CG 3.95Å; Y55-H217 WeakPolarHBondContact CD1-O 3.49Å; Y55-H217 WeakPolarHBondContact CE1-O 3.41Å; Y55-K219 HydrophobicContact CD1-CD 4.24Å; Y55-K219 HydrophobicContact CD1-CG 4.33Å; Y55-K219 HydrophobicContact CE1-CB 4.23Å; Y55-K219 HydrophobicContact CE1-CD 3.8Å; Y55-K219 HydrophobicContact CE1-CG 3.78Å |
| 56 | L | 92.4 | Very high | 76.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -84.6 | -12.2 | -179.7 | -70.4 | -173.9 | 0 | 0 | 0 | 112.1 | E19 L22 R23 I28 T40 F207 L214 H217 | E19-L56 HydrophobicContact CG-CD2 4.22Å; L22-L56 HydrophobicContact CD1-CD1 4.41Å; R23-L56 HydrophobicContact CG-CD2 3.85Å; I28-L56 HydrophobicContact CD1-CB 3.91Å; I28-L56 HydrophobicContact CD1-CD1 4.21Å; I28-L56 HydrophobicContact CD1-CD2 4.4Å; I28-L56 HydrophobicContact CD1-CG 4.41Å; T40-L56 HydrophobicContact CG2-CD1 4.15Å; T40-L56 HydrophobicContact CG2-CD2 4.36Å; T40-L56 HydrophobicContact CG2-CG 4.31Å; L56-F207 HydrophobicContact CD1-CD1 4.17Å; L56-F207 HydrophobicContact CD1-CE1 3.57Å; L56-F207 HydrophobicContact CD1-CZ 4.37Å; L56-F207 HydrophobicContact CG-CE1 4.4Å; L56-L214 HydrophobicContact CB-CD2 3.58Å; L56-H217 PolarHBondContact N-ND1 3.46Å |
| 57 | C | 91.4 | Very high | 79.2 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -146.7 | 145 | 172.3 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | Y55 A61 R115 L214 | Y55-C57 VanDerWaalsContact C-N 3.33Å; C57-A61 HydrophobicContact CB-CB 3.77Å; C57-R115 PolarHBondContact O-NH1 2.8Å; C57-R115 PolarHBondContact O-NH2 3.39Å; C57-L214 HydrophobicContact CB-CD2 4.07Å; C57-L214 HydrophobicContact CB-CG 4.37Å |
| 58 | G | 88.7 | Confident | 81.6 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | trans | -72.8 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E60 A61 | G58-E60 VanDerWaalsContact CA-OE1 3.32Å; G58-E60 WeakPolarHBondContact CA-OE1 3.44Å; G58-E60 VanDerWaalsContact CA-OE2 3.25Å; G58-E60 WeakPolarHBondContact CA-OE2 3.34Å; G58-E60 PolarHBondContact O-N 3.25Å; G58-A61 WeakPolarHBondContact O-CB 3.43Å; G58-A61 PolarHBondContact O-N 2.7Å | ||
| 59 | A | 87.9 | Confident | 83.4 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.7 | -29.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A61 N62 | A59-A61 PolarHBondContact O-N 2.82Å; A59-A61 VanDerWaalsContact O-N 3.17Å; A59-N62 WeakPolarHBondContact O-CB 3.22Å; A59-N62 PolarHBondContact O-N 2.87Å; A59-N62 VanDerWaalsContact O-N 3.11Å |
| 60 | E | 90.6 | Very high | 85.2 | Confident | 147 Ų | 147 | 40.9 Ų | 40.9 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -63.6 | -16.6 | 177.1 | 72.5 | -69.1 | 163.1 | 0 | 0 | 114.2 | G58 N62 V63 | G58-E60 VanDerWaalsContact CA-OE1 3.32Å; G58-E60 WeakPolarHBondContact CA-OE1 3.44Å; G58-E60 VanDerWaalsContact CA-OE2 3.25Å; G58-E60 WeakPolarHBondContact CA-OE2 3.34Å; G58-E60 PolarHBondContact O-N 3.25Å; E60-N62 PolarHBondContact O-N 3.31Å; E60-V63 WeakPolarHBondContact O-CG1 3.49Å |
| 61 | A | 93.3 | Very high | 86.9 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70 | -21.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C57 G58 A59 V63 I215 | C57-A61 HydrophobicContact CB-CB 3.77Å; G58-A61 WeakPolarHBondContact O-CB 3.43Å; G58-A61 PolarHBondContact O-N 2.7Å; A59-A61 PolarHBondContact O-N 2.82Å; A59-A61 VanDerWaalsContact O-N 3.17Å; A61-V63 PolarHBondContact O-N 2.93Å; A61-I215 CarbonylContact C-O 3.6Å; A61-I215 WeakPolarHBondContact CB-O 3.48Å |
| 62 | N | 94.4 | Very high | 88.5 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | trans | -79 | 61 | 176.2 | -171.5 | 17.8 | 0 | 0 | 0 | 111.8 | A59 E60 Y64 D65 I66 I215 M216 | A59-N62 WeakPolarHBondContact O-CB 3.22Å; A59-N62 PolarHBondContact O-N 2.87Å; A59-N62 VanDerWaalsContact O-N 3.11Å; E60-N62 PolarHBondContact O-N 3.31Å; N62-Y64 PolarHBondContact O-N 3.43Å; N62-D65 PolarHBondContact O-N 3.24Å; N62-I66 PolarHBondContact ND2-N 3.42Å; N62-I66 PolarHBondContact ND2-O 2.73Å; N62-I66 PolarHBondContact OD1-N 3.02Å; N62-I66 VanDerWaalsContact OD1-N 3.15Å; N62-I215 PolarHBondContact N-O 3.28Å; N62-M216 HydrophobicContact CB-CG 3.98Å | ||
| 63 | V | 94.4 | Very high | 90.1 | Very high | 66 Ų | 66 | 38 Ų | 38 | 40% | 0.4 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 5 | -178.7 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | E60 A61 R142 | E60-V63 WeakPolarHBondContact O-CG1 3.49Å; A61-V63 PolarHBondContact O-N 2.93Å; V63-R142 WeakPolarHBondContact O-CD 3.44Å |
| 64 | Y | 95.6 | Very high | 91.5 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 1.2 | -178.9 | -63.8 | -84 | 0 | 0 | 0 | 112.1 | N62 I66 G140 R142 V144 V210 I215 | N62-Y64 PolarHBondContact O-N 3.43Å; Y64-I66 PolarHBondContact O-N 2.96Å; Y64-G140 WeakPolarHBondContact O-CA 3.25Å; Y64-G140 PolarHBondContact O-N 2.82Å; Y64-R142 HydrophobicContact CD1-CB 3.84Å; Y64-R142 HydrophobicContact CE1-CB 4.27Å; Y64-V144 HydrophobicContact CD1-CG2 3.63Å; Y64-V144 HydrophobicContact CE1-CG2 4.46Å; Y64-V144 HydrophobicContact CG-CG2 3.92Å; Y64-V210 HydrophobicContact CD2-CB 4.29Å; Y64-V210 HydrophobicContact CD2-CG1 4.31Å; Y64-V210 HydrophobicContact CD2-CG2 4.15Å; Y64-V210 HydrophobicContact CE1-CG1 3.97Å; Y64-V210 HydrophobicContact CE2-CB 3.78Å; Y64-V210 HydrophobicContact CE2-CG1 3.64Å; Y64-V210 HydrophobicContact CE2-CG2 4.16Å; Y64-V210 VanDerWaalsContact CZ-CG1 3.45Å; Y64-I215 HydrophobicContact CD2-CD1 4.33Å; Y64-I215 HydrophobicContact CD2-CG2 4.22Å; Y64-I215 HydrophobicContact CE2-CG2 4.08Å |
| 65 | D | 94.3 | Very high | 92.2 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 54% | 0.535 | 21% | 0.213 | S | C | . | . | trans | 46.1 | 46 | -175.4 | -50.8 | -42.2 | 0 | 0 | 0 | 111.9 | N62 D67 G140 | N62-D65 PolarHBondContact O-N 3.24Å; D65-D67 PolarHBondContact O-N 2.86Å; D65-G140 PolarHBondContact O-N 3.15Å | ||
| 66 | I | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -74.6 | 119.2 | 173.8 | -60.8 | -178.2 | 0 | 0 | 0 | 107.6 | N62 Y64 F68 F137 T138 V139 V144 F147 V210 I215 M216 | N62-I66 PolarHBondContact ND2-N 3.42Å; N62-I66 PolarHBondContact ND2-O 2.73Å; N62-I66 PolarHBondContact OD1-N 3.02Å; N62-I66 VanDerWaalsContact OD1-N 3.15Å; Y64-I66 PolarHBondContact O-N 2.96Å; I66-F68 HydrophobicContact CG2-CZ 4.41Å; I66-F137 HydrophobicContact CG2-CD2 4.06Å; I66-T138 WeakPolarHBondContact CA-O 3.48Å; I66-V139 HydrophobicContact CG1-CG2 4.43Å; I66-V144 HydrophobicContact CD1-CG1 4.24Å; I66-V144 HydrophobicContact CD1-CG2 4.14Å; I66-V144 HydrophobicContact CG1-CG2 4.39Å; I66-F147 HydrophobicContact CD1-CD2 4.09Å; I66-F147 HydrophobicContact CD1-CE1 4.26Å; I66-F147 HydrophobicContact CD1-CE2 3.7Å; I66-F147 HydrophobicContact CD1-CZ 3.81Å; I66-F147 HydrophobicContact CG2-CZ 4.16Å; I66-V210 HydrophobicContact CD1-CG2 4.35Å; I66-I215 HydrophobicContact CD1-CD1 3.7Å; I66-M216 HydrophobicContact CB-CE 3.8Å; I66-M216 HydrophobicContact CB-SD 4.32Å; I66-M216 HydrophobicContact CD1-CE 4.38Å; I66-M216 HydrophobicContact CG2-CE 3.61Å; I66-M216 HydrophobicContact CG2-SD 4.48Å | ||
| 67 | D | 92.9 | Very high | 92.1 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.6 | 177 | -169.3 | 38.4 | 0 | 0 | 0 | 112.9 | D65 T69 K87 F137 T138 | D65-D67 PolarHBondContact O-N 2.86Å; D67-T69 PolarHBondContact O-N 2.76Å; D67-K87 IonicContact OD1-NZ 3.64Å; D67-K87 PolarHBondContact OD1-NZ 3.3Å; D67-K87 IonicContact OD2-NZ 2.84Å; D67-K87 PolarHBondContact OD2-NZ 3.28Å; D67-F137 CarbonylContact O-C 3.51Å; D67-F137 WeakPolarHBondContact O-CA 3.42Å; D67-F137 WeakPolarHBondContact O-CB 3.3Å; D67-T138 PolarHBondContact N-O 3.4Å; D67-T138 VanDerWaalsContact N-O 3.15Å; D67-T138 PolarHBondContact O-N 3.48Å |
| 68 | F | 91.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.1 | 178.5 | -67.3 | -70.9 | 0 | 0 | 0 | 110.2 | I66 K87 V135 F137 F147 Y208 M216 | I66-F68 HydrophobicContact CG2-CZ 4.41Å; F68-K87 WeakPolarHBondContact O-CD 3.46Å; F68-K87 WeakPolarHBondContact O-CE 3.41Å; F68-V135 HydrophobicContact CD1-CG1 3.33Å; F68-V135 HydrophobicContact CE1-CG1 3.61Å; F68-V135 HydrophobicContact CG-CG1 4.46Å; F68-F137 HydrophobicContact CD1-CB 3.68Å; F68-F137 HydrophobicContact CD1-CD1 4.46Å; F68-F137 HydrophobicContact CD1-CG 4.34Å; F68-F137 HydrophobicContact CE1-CB 4Å; F68-F137 HydrophobicContact CE1-CD1 4.19Å; F68-F137 HydrophobicContact CE1-CG 4.2Å; F68-F137 HydrophobicContact CG-CB 4.42Å; F68-F147 HydrophobicContact CZ-CZ 4.18Å; F68-Y208 HydrophobicContact CE1-CE1 4.3Å; F68-Y208 HydrophobicContact CE2-CD1 4.22Å; F68-Y208 AromaticContact CE2-CE1 3.71Å; F68-Y208 HydrophobicContact CE2-CE1 3.71Å; F68-Y208 HydrophobicContact CE2-CE2 4.23Å; F68-Y208 AromaticContact CE2-CZ 3.7Å; F68-Y208 AromaticContact CZ-CD1 3.84Å; F68-Y208 HydrophobicContact CZ-CD1 3.84Å; F68-Y208 AromaticContact CZ-CE1 3.3Å; F68-Y208 HydrophobicContact CZ-CE1 3.3Å; F68-Y208 AromaticContact CZ-CZ 3.75Å; F68-M216 HydrophobicContact CE2-CE 3.63Å; F68-M216 HydrophobicContact CE2-SD 4.27Å; F68-M216 HydrophobicContact CZ-CE 4.11Å |
| 69 | T | 89.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -25 | -172.8 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | D67 S86 K87 E136 T138 | D67-T69 PolarHBondContact O-N 2.76Å; T69-S86 CarbonylContact O-C 3.41Å; T69-S86 VanDerWaalsContact O-CA 3.3Å; T69-S86 WeakPolarHBondContact O-CA 3.44Å; T69-K87 PolarHBondContact O-N 2.69Å; T69-E136 PolarHBondContact N-O 2.97Å; T69-E136 PolarHBondContact OG1-O 3.05Å; T69-T138 HydrophobicContact CG2-CG2 4.31Å |
| 70 | C | 89.9 | Confident | 92.5 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 139.5 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | I85 S86 V135 E136 | C70-I85 WeakPolarHBondContact CA-O 3.11Å; C70-S86 PolarHBondContact SG-OG 3.19Å; C70-V135 WeakPolarHBondContact O-CA 3.49Å; C70-E136 HydrophobicContact CB-CB 3.94Å; C70-E136 HydrophobicContact CB-CG 4.04Å; C70-E136 PolarHBondContact N-O 3.37Å; C70-E136 PolarHBondContact O-N 3.45Å |
| 71 | F | 91.7 | Very high | 92.5 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 120.9 | 174.2 | -177.3 | -102.7 | 0 | 0 | 0 | 109.8 | I73 F83 E84 I85 Y119 A133 T134 V135 | F71-I73 HydrophobicContact CD1-CG1 4.32Å; F71-I73 HydrophobicContact CE1-CD1 3.49Å; F71-I73 VanDerWaalsContact CE1-CD1 3.49Å; F71-I73 HydrophobicContact CE1-CG1 3.47Å; F71-I73 VanDerWaalsContact CE1-CG1 3.47Å; F71-I73 HydrophobicContact CZ-CD1 3.82Å; F71-I73 HydrophobicContact CZ-CG1 3.69Å; F71-F83 AromaticContact CD1-CD1 3.88Å; F71-F83 HydrophobicContact CD1-CD1 3.88Å; F71-F83 AromaticContact CD1-CE1 3.94Å; F71-F83 HydrophobicContact CD1-CE1 3.94Å; F71-F83 HydrophobicContact CE1-CD1 4.23Å; F71-E84 CarbonylContact O-C 3.57Å; F71-E84 WeakPolarHBondContact O-CA 3.15Å; F71-I85 HydrophobicContact CB-CG2 3.92Å; F71-I85 PolarHBondContact N-O 3.08Å; F71-I85 PolarHBondContact O-N 2.88Å; F71-Y119 HydrophobicContact CE1-CE1 4.12Å; F71-Y119 VanDerWaalsContact CE1-OH 3.25Å; F71-Y119 WeakPolarHBondContact CE1-OH 3.44Å; F71-A133 HydrophobicContact CE2-CB 3.76Å; F71-A133 HydrophobicContact CZ-CB 4Å; F71-T134 WeakPolarHBondContact CA-O 3.31Å; F71-V135 HydrophobicContact CD2-CG2 3.8Å; F71-V135 HydrophobicContact CE2-CG2 4.01Å |
| 72 | K | 92.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.6 | -178.7 | -179.4 | 178.8 | 72.6 | -154.1 | 0 | 111.1 | I81 F83 E84 A133 T134 | K72-I81 HydrophobicContact CD-CD1 4.23Å; K72-I81 HydrophobicContact CD-CG1 4.43Å; K72-I81 HydrophobicContact CD-CG2 4.45Å; K72-I81 HydrophobicContact CG-CG2 4.11Å; K72-F83 CarbonylContact C-O 3.54Å; K72-F83 WeakPolarHBondContact CA-O 3.42Å; K72-E84 HydrophobicContact CB-CB 4.45Å; K72-E84 HydrophobicContact CB-CG 4.16Å; K72-E84 HydrophobicContact CD-CG 4.42Å; K72-E84 HydrophobicContact CG-CB 4.22Å; K72-E84 HydrophobicContact CG-CG 4.2Å; K72-A133 CarbonylContact O-C 3.58Å; K72-A133 VanDerWaalsContact O-CA 3.27Å; K72-A133 WeakPolarHBondContact O-CA 3.18Å; K72-T134 PolarHBondContact N-O 2.97Å; K72-T134 PolarHBondContact O-N 3.43Å |
| 73 | I | 93 | Very high | 92.3 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.9 | 174.1 | -56.7 | 174.4 | 0 | 0 | 0 | 109.6 | F71 L82 F83 Y119 F121 F125 V131 T132 A133 | F71-I73 HydrophobicContact CD1-CG1 4.32Å; F71-I73 HydrophobicContact CE1-CD1 3.49Å; F71-I73 VanDerWaalsContact CE1-CD1 3.49Å; F71-I73 HydrophobicContact CE1-CG1 3.47Å; F71-I73 VanDerWaalsContact CE1-CG1 3.47Å; F71-I73 HydrophobicContact CZ-CD1 3.82Å; F71-I73 HydrophobicContact CZ-CG1 3.69Å; I73-L82 HydrophobicContact CB-CB 4.46Å; I73-L82 HydrophobicContact CG2-CB 4.21Å; I73-L82 HydrophobicContact CG2-CD1 4.07Å; I73-L82 PolarHBondContact O-N 2.87Å; I73-F83 HydrophobicContact CB-CB 4.2Å; I73-F83 HydrophobicContact CD1-CB 4.28Å; I73-F83 HydrophobicContact CG1-CB 4.39Å; I73-F83 PolarHBondContact N-O 3.21Å; I73-F83 PolarHBondContact O-N 3.03Å; I73-Y119 HydrophobicContact CD1-CE1 4.45Å; I73-F121 HydrophobicContact CD1-CZ 3.97Å; I73-F125 HydrophobicContact CG2-CE2 4.45Å; I73-V131 HydrophobicContact CG2-CB 4.08Å; I73-V131 HydrophobicContact CG2-CG2 4.31Å; I73-T132 CarbonylContact C-O 3.58Å; I73-T132 WeakPolarHBondContact CA-O 3.46Å; I73-A133 HydrophobicContact CG1-CB 4.4Å |
| 74 | R | 94.2 | Very high | 92.1 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.6 | 176.4 | -174.1 | -168.9 | -66 | -114.6 | -5 | 110.6 | L76 G79 S80 V131 T132 | R74-L76 PolarHBondContact O-N 2.72Å; R74-G79 WeakPolarHBondContact CG-O 3.26Å; R74-G79 PolarHBondContact NH1-O 2.99Å; R74-S80 CarbonylContact C-O 3.57Å; R74-S80 VanDerWaalsContact CA-O 3.25Å; R74-S80 WeakPolarHBondContact CA-O 3.49Å; R74-S80 WeakPolarHBondContact CG-O 3.23Å; R74-V131 CarbonylContact O-C 3.56Å; R74-V131 VanDerWaalsContact O-CA 3.3Å; R74-V131 WeakPolarHBondContact O-CA 3.37Å; R74-T132 PolarHBondContact N-O 3.28Å; R74-T132 PolarHBondContact O-N 2.81Å |
| 75 | D | 93.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 121.2 | 164.3 | 174 | 14.2 | 0 | 0 | 0 | 109.3 | D77 S78 G79 S80 L82 L128 | D75-D77 VanDerWaalsContact C-N 3.26Å; D75-D77 PolarHBondContact O-N 3.17Å; D75-D77 PolarHBondContact OD1-N 2.81Å; D75-S78 WeakPolarHBondContact CB-OG 3.14Å; D75-S78 VanDerWaalsContact CG-OG 3.27Å; D75-S78 WeakPolarHBondContact OD2-CB 3.27Å; D75-S78 PolarHBondContact OD2-N 3.44Å; D75-S78 VanDerWaalsContact OD2-N 3.14Å; D75-S78 PolarHBondContact OD2-OG 3.14Å; D75-G79 WeakPolarHBondContact O-CA 3.36Å; D75-G79 PolarHBondContact O-N 2.91Å; D75-S80 PolarHBondContact N-O 3.05Å; D75-L82 HydrophobicContact CB-CD1 4.1Å; D75-L82 HydrophobicContact CB-CD2 4.39Å; D75-L82 HydrophobicContact CB-CG 4.35Å; D75-L128 HydrophobicContact CB-CD1 4.39Å; D75-L128 HydrophobicContact CB-CD2 4.31Å |
| 76 | L | 90.4 | Very high | 91.2 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 45% | 0.45 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30 | -178.1 | -176.6 | 60.5 | 0 | 0 | 0 | 112 | R74 H130 T132 | R74-L76 PolarHBondContact O-N 2.72Å; L76-H130 HydrophobicContact CB-CB 3.82Å; L76-H130 WeakPolarHBondContact CB-O 3.34Å; L76-H130 HydrophobicContact CD2-CB 3.7Å; L76-H130 HydrophobicContact CG-CB 4.35Å; L76-H130 PolarHBondContact N-O 2.79Å; L76-H130 VanDerWaalsContact N-O 3.07Å; L76-T132 HydrophobicContact CB-CG2 4.32Å; L76-T132 HydrophobicContact CD1-CG2 3.81Å; L76-T132 HydrophobicContact CD2-CG2 4.5Å; L76-T132 HydrophobicContact CG-CG2 4.43Å |
| 77 | D | 90.7 | Very high | 90.6 | Very high | 106 Ų | 106 | 58.4 Ų | 58.4 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -48.7 | -174.8 | -69.6 | -33.3 | 0 | 0 | 0 | 111.7 | D75 | D75-D77 VanDerWaalsContact C-N 3.26Å; D75-D77 PolarHBondContact O-N 3.17Å; D75-D77 PolarHBondContact OD1-N 2.81Å |
| 78 | S | 92.6 | Very high | 89.5 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -19.3 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | D75 S80 | D75-S78 WeakPolarHBondContact CB-OG 3.14Å; D75-S78 VanDerWaalsContact CG-OG 3.27Å; D75-S78 WeakPolarHBondContact OD2-CB 3.27Å; D75-S78 PolarHBondContact OD2-N 3.44Å; D75-S78 VanDerWaalsContact OD2-N 3.14Å; D75-S78 PolarHBondContact OD2-OG 3.14Å; S78-S80 PolarHBondContact O-N 3.07Å; S78-S80 WeakPolarHBondContact OG-CB 3.38Å; S78-S80 PolarHBondContact OG-N 2.86Å; S78-S80 PolarHBondContact OG-OG 3.09Å |
| 79 | G | 91.4 | Very high | 88.2 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | trans | 74.8 | 2.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R74 D75 | R74-G79 WeakPolarHBondContact CG-O 3.26Å; R74-G79 PolarHBondContact NH1-O 2.99Å; D75-G79 WeakPolarHBondContact O-CA 3.36Å; D75-G79 PolarHBondContact O-N 2.91Å | ||
| 80 | S | 91.5 | Very high | 86.6 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -66.7 | 139.2 | 179.3 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | R74 D75 S78 | R74-S80 CarbonylContact C-O 3.57Å; R74-S80 VanDerWaalsContact CA-O 3.25Å; R74-S80 WeakPolarHBondContact CA-O 3.49Å; R74-S80 WeakPolarHBondContact CG-O 3.23Å; D75-S80 PolarHBondContact N-O 3.05Å; S78-S80 PolarHBondContact O-N 3.07Å; S78-S80 WeakPolarHBondContact OG-CB 3.38Å; S78-S80 PolarHBondContact OG-N 2.86Å; S78-S80 PolarHBondContact OG-OG 3.09Å | ||
| 81 | I | 91.7 | Very high | 84.4 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 45% | 0.451 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 120.8 | 173.5 | -61.3 | 172.2 | 0 | 0 | 0 | 107.3 | K72 E84 | K72-I81 HydrophobicContact CD-CD1 4.23Å; K72-I81 HydrophobicContact CD-CG1 4.43Å; K72-I81 HydrophobicContact CD-CG2 4.45Å; K72-I81 HydrophobicContact CG-CG2 4.11Å; I81-E84 HydrophobicContact CG2-CB 4.22Å |
| 82 | L | 91.7 | Very high | 82.3 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 28% | 0.277 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -28.1 | -177.4 | -57.1 | 174.2 | 0 | 0 | 0 | 111.7 | I73 D75 F125 L128 V131 | I73-L82 HydrophobicContact CB-CB 4.46Å; I73-L82 HydrophobicContact CG2-CB 4.21Å; I73-L82 HydrophobicContact CG2-CD1 4.07Å; I73-L82 PolarHBondContact O-N 2.87Å; D75-L82 HydrophobicContact CB-CD1 4.1Å; D75-L82 HydrophobicContact CB-CD2 4.39Å; D75-L82 HydrophobicContact CB-CG 4.35Å; L82-F125 HydrophobicContact CB-CE2 4.49Å; L82-F125 HydrophobicContact CD1-CD2 3.86Å; L82-F125 HydrophobicContact CD1-CE2 3.8Å; L82-L128 HydrophobicContact CD1-CD1 3.35Å; L82-L128 HydrophobicContact CD2-CD1 4.47Å; L82-V131 HydrophobicContact CD1-CG1 3.97Å |
| 83 | F | 90.4 | Very high | 79.8 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 20% | 0.202 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 144.5 | 178.9 | -176.6 | -95.6 | 0 | 0 | 0 | 110 | F71 K72 I73 I85 V117 Y119 F121 | F71-F83 AromaticContact CD1-CD1 3.88Å; F71-F83 HydrophobicContact CD1-CD1 3.88Å; F71-F83 AromaticContact CD1-CE1 3.94Å; F71-F83 HydrophobicContact CD1-CE1 3.94Å; F71-F83 HydrophobicContact CE1-CD1 4.23Å; K72-F83 CarbonylContact C-O 3.54Å; K72-F83 WeakPolarHBondContact CA-O 3.42Å; I73-F83 HydrophobicContact CB-CB 4.2Å; I73-F83 HydrophobicContact CD1-CB 4.28Å; I73-F83 HydrophobicContact CG1-CB 4.39Å; I73-F83 PolarHBondContact N-O 3.21Å; I73-F83 PolarHBondContact O-N 3.03Å; F83-I85 HydrophobicContact CE1-CB 3.82Å; F83-I85 HydrophobicContact CE1-CG2 3.57Å; F83-I85 HydrophobicContact CZ-CB 4.02Å; F83-I85 HydrophobicContact CZ-CG2 4.11Å; F83-V117 HydrophobicContact CZ-CG1 4.43Å; F83-Y119 HydrophobicContact CD1-CD1 4.33Å; F83-Y119 AromaticContact CD1-CE1 3.74Å; F83-Y119 HydrophobicContact CD1-CE1 3.74Å; F83-Y119 AromaticContact CD2-CD1 3.91Å; F83-Y119 HydrophobicContact CD2-CD1 3.91Å; F83-Y119 HydrophobicContact CD2-CE1 4.13Å; F83-Y119 HydrophobicContact CE1-CD1 4.28Å; F83-Y119 AromaticContact CE1-CE1 3.57Å; F83-Y119 HydrophobicContact CE1-CE1 3.57Å; F83-Y119 AromaticContact CE2-CD1 3.87Å; F83-Y119 HydrophobicContact CE2-CD1 3.87Å; F83-Y119 AromaticContact CE2-CE1 3.99Å; F83-Y119 HydrophobicContact CE2-CE1 3.99Å; F83-Y119 HydrophobicContact CG-CD1 4.14Å; F83-Y119 HydrophobicContact CG-CE1 4.01Å; F83-Y119 HydrophobicContact CZ-CD1 4.06Å; F83-Y119 AromaticContact CZ-CE1 3.7Å; F83-Y119 HydrophobicContact CZ-CE1 3.7Å; F83-F121 HydrophobicContact CB-CE1 3.98Å; F83-F121 HydrophobicContact CB-CZ 4.39Å |
| 84 | E | 90.5 | Very high | 77.2 | Confident | 105 Ų | 105 | 92 Ų | 92 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 130.5 | 171.5 | -174.2 | 161.8 | -153.6 | 0 | 0 | 109.5 | F71 K72 I81 | F71-E84 CarbonylContact O-C 3.57Å; F71-E84 WeakPolarHBondContact O-CA 3.15Å; K72-E84 HydrophobicContact CB-CB 4.45Å; K72-E84 HydrophobicContact CB-CG 4.16Å; K72-E84 HydrophobicContact CD-CG 4.42Å; K72-E84 HydrophobicContact CG-CB 4.22Å; K72-E84 HydrophobicContact CG-CG 4.2Å; I81-E84 HydrophobicContact CG2-CB 4.22Å |
| 85 | I | 87.3 | Confident | 74.4 | Confident | 91 Ų | 91 | 96.9 Ų | 96.9 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.3 | 170.5 | -167.6 | 169.7 | 0 | 0 | 0 | 108.5 | C70 F71 F83 | C70-I85 WeakPolarHBondContact CA-O 3.11Å; F71-I85 HydrophobicContact CB-CG2 3.92Å; F71-I85 PolarHBondContact N-O 3.08Å; F71-I85 PolarHBondContact O-N 2.88Å; F83-I85 HydrophobicContact CE1-CB 3.82Å; F83-I85 HydrophobicContact CE1-CG2 3.57Å; F83-I85 HydrophobicContact CZ-CB 4.02Å; F83-I85 HydrophobicContact CZ-CG2 4.11Å |
| 86 | S | 84.8 | Confident | 71.6 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.8 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 108.7 | T69 C70 | T69-S86 CarbonylContact O-C 3.41Å; T69-S86 VanDerWaalsContact O-CA 3.3Å; T69-S86 WeakPolarHBondContact O-CA 3.44Å; C70-S86 PolarHBondContact SG-OG 3.19Å |
| 87 | K | 80.1 | Confident | 68.9 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 43% | 0.426 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -66 | 143.5 | 166.5 | -67.7 | -171 | 175.9 | -173.3 | 0 | 108.8 | D67 F68 T69 | D67-K87 IonicContact OD1-NZ 3.64Å; D67-K87 PolarHBondContact OD1-NZ 3.3Å; D67-K87 IonicContact OD2-NZ 2.84Å; D67-K87 PolarHBondContact OD2-NZ 3.28Å; F68-K87 WeakPolarHBondContact O-CD 3.46Å; F68-K87 WeakPolarHBondContact O-CE 3.41Å; T69-K87 PolarHBondContact O-N 2.69Å |
| 88 | P | 71.5 | Confident | 66.4 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -56 | 143.8 | 168.3 | 24 | -30.7 | 0 | 0 | 0 | 109.1 | D90 | P88-D90 PolarHBondContact O-N 3.25Š|
| 89 | P | 63.7 | Low | 63.8 | Low | 76 Ų | 76 | 109 Ų | 109 | 49% | 0.494 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 139.1 | 173.6 | -21.4 | 28.6 | 0 | 0 | 0 | 110.9 | D91 W92 | P89-D91 PolarHBondContact O-N 3.17Å; P89-W92 VanDerWaalsContact O-CD1 3.28Å; P89-W92 PolarHBondContact O-N 3.22Å |
| 90 | D | 56.3 | Low | 61.3 | Low | 128 Ų | 128 | 116.3 Ų | 116.3 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -58.2 | -23.7 | 176.9 | -68.2 | -37.3 | 0 | 0 | 0 | 112.3 | P88 W92 A93 | P88-D90 PolarHBondContact O-N 3.25Å; D90-W92 PolarHBondContact O-N 3.02Å; D90-A93 PolarHBondContact O-N 3.31Å; D90-A93 VanDerWaalsContact O-N 3.13Å |
| 91 | D | 43.5 | Very low | 58.5 | Low | 146 Ų | 146 | 119.9 Ų | 119.9 | 78% | 0.781 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -62.7 | -11.4 | 179.8 | -62 | -27.4 | 0 | 0 | 0 | 114.7 | P89 A93 | P89-D91 PolarHBondContact O-N 3.17Å; D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.01Å |
| 92 | W | 47.5 | Very low | 55.9 | Low | 205 Ų | 205 | 123.3 Ų | 123.3 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -80.7 | -6 | 175.4 | -65.5 | 92 | 0 | 0 | 0 | 113.6 | P89 D90 | P89-W92 VanDerWaalsContact O-CD1 3.28Å; P89-W92 PolarHBondContact O-N 3.22Å; D90-W92 PolarHBondContact O-N 3.02Å |
| 93 | A | 40.7 | Very low | 53 | Low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -94.9 | -5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D90 D91 | D90-A93 PolarHBondContact O-N 3.31Å; D90-A93 VanDerWaalsContact O-N 3.13Å; D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.01Å |
| 94 | E | 36.7 | Very low | 50.2 | Low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -109.3 | -6.5 | -171.4 | -68.6 | -161 | 165.6 | 0 | 0 | 116.7 | ||
| 95 | E | 37 | Very low | 47.2 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -148.8 | 98 | 174.3 | -70.3 | -169.8 | 169.5 | 0 | 0 | 112.7 | ||
| 96 | G | 34.4 | Very low | 44.8 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 141.7 | 107.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 97 | N | 33.6 | Very low | 42.2 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 75.4 | 97.6 | 154.4 | -111.2 | 13.1 | 0 | 0 | 0 | 118.2 | D99 | N97-D99 PolarHBondContact O-N 3.45Å; N97-D99 VanDerWaalsContact O-N 3.12Å | ||
| 98 | E | 38.2 | Very low | 40.1 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -70.6 | 10.6 | 169.1 | -38 | 178.8 | -146.4 | 0 | 0 | 113.4 | ||
| 99 | D | 38.3 | Very low | 38.6 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | trans | -142 | 84.1 | -169.8 | -77.9 | -44.1 | 0 | 0 | 0 | 110.7 | N97 | N97-D99 PolarHBondContact O-N 3.45Å; N97-D99 VanDerWaalsContact O-N 3.12Å | ||
| 100 | E | 37.5 | Very low | 37.7 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -172.5 | 101.6 | 141.6 | -105.4 | 175.6 | -157.6 | 0 | 0 | 110.5 | I102 | E100-I102 PolarHBondContact O-N 2.67Š| ||
| 101 | C | 32.4 | Very low | 37.3 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 119.1 | 171.8 | -43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 102 | I | 37.2 | Very low | 37.9 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 82% | 0.821 | 74% | 0.736 | S | S | * | * | trans | -129 | 120.6 | 151.2 | -58.6 | -178.8 | 0 | 0 | 0 | 107.4 | E100 E104 | E100-I102 PolarHBondContact O-N 2.67Å; I102-E104 PolarHBondContact O-N 2.68Å | ||
| 103 | E | 30.5 | Very low | 38.3 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -69.1 | 110.8 | -172.5 | -61.1 | 164.4 | 177.1 | 0 | 0 | 111.6 | ||||
| 104 | E | 32.4 | Very low | 40 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -131 | 87.5 | 147.7 | -71.6 | -168.8 | -179.9 | 0 | 0 | 107.7 | I102 E106 | I102-E104 PolarHBondContact O-N 2.68Å; E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.86Å | ||
| 105 | E | 28.4 | Very low | 42.3 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 91% | 0.907 | 68% | 0.679 | S | S | * | * | trans | -67.7 | 83.3 | 171.3 | -72.6 | -173.4 | 161.3 | 0 | 0 | 110.4 | ||||
| 106 | E | 35.5 | Very low | 44.8 | Very low | 183 Ų | 183 | 117.9 Ų | 117.9 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -124.6 | 76.2 | 154.8 | -76 | -157.9 | 167.4 | 0 | 0 | 110.2 | E104 C108 | E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.86Å; E106-C108 PolarHBondContact O-N 3.09Å |
| 107 | N | 31.5 | Very low | 47.4 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | trans | 40.6 | 52.2 | 149.4 | -154.7 | 26.8 | 0 | 0 | 0 | 116.8 | D109 S110 | N107-D109 PolarHBondContact O-N 3.12Å; N107-S110 PolarHBondContact O-N 3.03Å | ||
| 108 | C | 35.4 | Very low | 50.1 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 78% | 0.784 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -25.2 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 113.2 | E106 | E106-C108 PolarHBondContact O-N 3.09Š|
| 109 | D | 39.5 | Very low | 52.7 | Low | 155 Ų | 155 | 107.6 Ų | 107.6 | 83% | 0.829 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 11.1 | -175.7 | -70.1 | -34.5 | 0 | 0 | 0 | 114.8 | N107 | N107-D109 PolarHBondContact O-N 3.12Š|
| 110 | S | 44.5 | Very low | 55.3 | Low | 24 Ų | 24 | 105.9 Ų | 105.9 | 17% | 0.168 | 56% | 0.562 | C | S | . | * | trans | -71.7 | 131.3 | 176 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | N107 T112 A113 | N107-S110 PolarHBondContact O-N 3.03Å; S110-T112 PolarHBondContact O-N 2.7Å; S110-T112 PolarHBondContact OG-N 2.86Å; S110-T112 VanDerWaalsContact OG-N 3.17Å; S110-T112 PolarHBondContact OG-OG1 3.21Å; S110-A113 WeakPolarHBondContact O-CB 3.48Å; S110-A113 PolarHBondContact O-N 2.79Å | ||
| 111 | P | 48.4 | Very low | 58 | Low | 80 Ų | 80 | 97.4 Ų | 97.4 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -5.5 | 170.2 | 23.8 | -32.7 | 0 | 0 | 0 | 113.8 | V52 | V52-P111 HydrophobicContact CG2-CB 4.21Å; V52-P111 HydrophobicContact CG2-CG 3.6Å |
| 112 | T | 57.5 | Low | 61 | Low | 19 Ų | 19 | 93.5 Ų | 93.5 | 12% | 0.117 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -8.1 | 171 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | L50 V52 Y55 S110 G114 R115 | L50-T112 PolarHBondContact O-OG1 3.22Å; V52-T112 HydrophobicContact CG2-CG2 3.96Å; Y55-T112 HydrophobicContact CD2-CG2 4.25Å; Y55-T112 HydrophobicContact CE2-CG2 3.78Å; S110-T112 PolarHBondContact O-N 2.7Å; S110-T112 PolarHBondContact OG-N 2.86Å; S110-T112 VanDerWaalsContact OG-N 3.17Å; S110-T112 PolarHBondContact OG-OG1 3.21Å; T112-G114 PolarHBondContact O-N 3.49Å; T112-G114 VanDerWaalsContact O-N 3.14Å; T112-R115 PolarHBondContact O-N 2.78Å |
| 113 | A | 56 | Low | 63.7 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 116.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S110 | S110-A113 WeakPolarHBondContact O-CB 3.48Å; S110-A113 PolarHBondContact O-N 2.79Å |
| 114 | G | 75.1 | Confident | 66.7 | Low | 60 Ų | 60 | 84.8 Ų | 84.8 | 62% | 0.619 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -8.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T112 F116 | T112-G114 PolarHBondContact O-N 3.49Å; T112-G114 VanDerWaalsContact O-N 3.14Å; G114-F116 VanDerWaalsContact C-N 3.35Å |
| 115 | R | 85.9 | Confident | 69.7 | Low | 24 Ų | 24 | 76.7 Ų | 76.7 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -90.6 | 2 | 176.2 | -60.2 | -175.8 | 73.3 | 176 | 0.9 | 113.6 | Y55 C57 T112 H217 N218 K219 | Y55-R115 HydrophobicContact CE1-CB 3.84Å; Y55-R115 HydrophobicContact CE2-CB 4.44Å; Y55-R115 WeakPolarHBondContact OH-CB 3.24Å; Y55-R115 PolarHBondContact OH-O 3.16Å; C57-R115 PolarHBondContact O-NH1 2.8Å; C57-R115 PolarHBondContact O-NH2 3.39Å; T112-R115 PolarHBondContact O-N 2.78Å; R115-H217 VanDerWaalsContact CZ-O 3.29Å; R115-H217 PolarHBondContact NE-O 3.49Å; R115-H217 PolarHBondContact NH2-O 2.77Å; R115-N218 WeakPolarHBondContact O-CA 3.49Å; R115-K219 PolarHBondContact O-N 3.14Å |
| 116 | F | 88.5 | Confident | 72.8 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 31% | 0.307 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133 | 176.6 | -178.6 | -99.4 | 0 | 0 | 0 | 110.8 | L50 G114 R118 K219 D221 | L50-F116 HydrophobicContact CD1-CB 3.52Å; L50-F116 HydrophobicContact CD1-CD1 4.12Å; L50-F116 HydrophobicContact CD1-CD2 3.33Å; L50-F116 HydrophobicContact CD1-CE2 4Å; L50-F116 HydrophobicContact CD1-CG 3.37Å; G114-F116 VanDerWaalsContact C-N 3.35Å; F116-R118 HydrophobicContact CE1-CB 4.14Å; F116-K219 VanDerWaalsContact CA-O 3.26Å; F116-K219 WeakPolarHBondContact CA-O 3.34Å; F116-K219 HydrophobicContact CD2-CB 3.84Å; F116-D221 HydrophobicContact CZ-CB 4.24Å; F116-D221 VanDerWaalsContact CZ-CG 3.49Å; F116-D221 WeakPolarHBondContact CZ-OD2 3.38Å |
| 117 | V | 89 | Confident | 75.6 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.8 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | F83 Y119 K219 A220 D221 | F83-V117 HydrophobicContact CZ-CG1 4.43Å; V117-Y119 HydrophobicContact CB-CD2 4.49Å; V117-Y119 HydrophobicContact CB-CE2 3.85Å; V117-Y119 HydrophobicContact CG1-CD1 4.3Å; V117-Y119 HydrophobicContact CG1-CD2 4.09Å; V117-Y119 HydrophobicContact CG1-CE1 3.86Å; V117-Y119 HydrophobicContact CG1-CE2 3.62Å; V117-Y119 HydrophobicContact CG1-CG 4.4Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.49Å; V117-K219 PolarHBondContact N-O 3.14Å; V117-A220 WeakPolarHBondContact O-CA 3.45Å; V117-A220 WeakPolarHBondContact O-CB 3.49Å; V117-D221 PolarHBondContact O-N 3.42Å |
| 118 | R | 89.9 | Confident | 78.6 | Confident | 130 Ų | 130 | 59.8 Ų | 59.8 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.5 | 172.6 | 174.1 | 160.3 | -71.4 | 164 | 1.3 | 109.8 | F116 Y200 D221 | F116-R118 HydrophobicContact CE1-CB 4.14Å; R118-Y200 VanDerWaalsContact CD-CE1 3.45Å; R118-Y200 HydrophobicContact CG-CD1 4Å; R118-Y200 HydrophobicContact CG-CE1 3.45Å; R118-Y200 VanDerWaalsContact CG-CE1 3.45Å; R118-D221 WeakPolarHBondContact CA-OD1 3.06Å; R118-D221 VanDerWaalsContact CB-OD1 3.31Å; R118-D221 WeakPolarHBondContact CB-OD1 3.46Å; R118-D221 WeakPolarHBondContact CG-OD1 3.41Å; R118-D221 IonicContact CZ-OD1 3.88Å; R118-D221 IonicContact CZ-OD2 3.39Å; R118-D221 IonicContact NE-OD1 2.94Å; R118-D221 PolarHBondContact NE-OD1 3.03Å; R118-D221 IonicContact NE-OD2 3.2Å; R118-D221 PolarHBondContact NE-OD2 3.44Å; R118-D221 IonicContact NH2-OD1 3.92Å; R118-D221 IonicContact NH2-OD2 2.74Å; R118-D221 PolarHBondContact NH2-OD2 2.7Å |
| 119 | Y | 92.9 | Very high | 81.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.3 | -179.7 | -67.6 | -81.2 | 0 | 0 | 0 | 111.7 | F71 I73 F83 V117 F121 A220 D221 Y222 A223 | F71-Y119 HydrophobicContact CE1-CE1 4.12Å; F71-Y119 VanDerWaalsContact CE1-OH 3.25Å; F71-Y119 WeakPolarHBondContact CE1-OH 3.44Å; I73-Y119 HydrophobicContact CD1-CE1 4.45Å; F83-Y119 HydrophobicContact CD1-CD1 4.33Å; F83-Y119 AromaticContact CD1-CE1 3.74Å; F83-Y119 HydrophobicContact CD1-CE1 3.74Å; F83-Y119 AromaticContact CD2-CD1 3.91Å; F83-Y119 HydrophobicContact CD2-CD1 3.91Å; F83-Y119 HydrophobicContact CD2-CE1 4.13Å; F83-Y119 HydrophobicContact CE1-CD1 4.28Å; F83-Y119 AromaticContact CE1-CE1 3.57Å; F83-Y119 HydrophobicContact CE1-CE1 3.57Å; F83-Y119 AromaticContact CE2-CD1 3.87Å; F83-Y119 HydrophobicContact CE2-CD1 3.87Å; F83-Y119 AromaticContact CE2-CE1 3.99Å; F83-Y119 HydrophobicContact CE2-CE1 3.99Å; F83-Y119 HydrophobicContact CG-CD1 4.14Å; F83-Y119 HydrophobicContact CG-CE1 4.01Å; F83-Y119 HydrophobicContact CZ-CD1 4.06Å; F83-Y119 AromaticContact CZ-CE1 3.7Å; F83-Y119 HydrophobicContact CZ-CE1 3.7Å; V117-Y119 HydrophobicContact CB-CD2 4.49Å; V117-Y119 HydrophobicContact CB-CE2 3.85Å; V117-Y119 HydrophobicContact CG1-CD1 4.3Å; V117-Y119 HydrophobicContact CG1-CD2 4.09Å; V117-Y119 HydrophobicContact CG1-CE1 3.86Å; V117-Y119 HydrophobicContact CG1-CE2 3.62Å; V117-Y119 HydrophobicContact CG1-CG 4.4Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.49Å; Y119-F121 HydrophobicContact CD1-CE1 4.49Å; Y119-F121 AromaticContact CD1-CE2 3.99Å; Y119-F121 HydrophobicContact CD1-CE2 3.99Å; Y119-F121 AromaticContact CD1-CZ 3.65Å; Y119-F121 HydrophobicContact CD1-CZ 3.65Å; Y119-F121 HydrophobicContact CE1-CZ 4.42Å; Y119-F121 AromaticContact CG-CE2 3.89Å; Y119-F121 HydrophobicContact CG-CE2 3.89Å; Y119-F121 HydrophobicContact CG-CZ 4.05Å; Y119-A220 HydrophobicContact CD2-CB 3.9Å; Y119-A220 HydrophobicContact CE2-CB 3.66Å; Y119-D221 PolarHBondContact N-O 3.1Å; Y119-Y222 AromaticContact CD2-CD1 3.68Å; Y119-Y222 HydrophobicContact CD2-CD1 3.68Å; Y119-Y222 AromaticContact CD2-CE1 3.34Å; Y119-Y222 HydrophobicContact CD2-CE1 3.34Å; Y119-Y222 AromaticContact CE2-CE1 3.88Å; Y119-Y222 HydrophobicContact CE2-CE1 3.88Å; Y119-Y222 AromaticContact CG-CD1 3.96Å; Y119-Y222 HydrophobicContact CG-CD1 3.96Å; Y119-Y222 AromaticContact CG-CE1 3.96Å; Y119-Y222 HydrophobicContact CG-CE1 3.96Å; Y119-A223 PolarHBondContact O-N 3.17Å |
| 120 | Q | 93.1 | Very high | 83.8 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 104.4 | 171.5 | -169.2 | 69.2 | 30 | 0 | 0 | 109.2 | Y200 N225 | Q120-Y200 PolarHBondContact OE1-OH 3.15Å; Q120-N225 PolarHBondContact NE2-OD1 3.45Å |
| 121 | F | 95.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -112.5 | 162.9 | 178.6 | -67.3 | -52.9 | 0 | 0 | 0 | 111.9 | I73 F83 Y119 F125 Y222 A223 Y224 N225 G226 | I73-F121 HydrophobicContact CD1-CZ 3.97Å; F83-F121 HydrophobicContact CB-CE1 3.98Å; F83-F121 HydrophobicContact CB-CZ 4.39Å; Y119-F121 HydrophobicContact CD1-CE1 4.49Å; Y119-F121 AromaticContact CD1-CE2 3.99Å; Y119-F121 HydrophobicContact CD1-CE2 3.99Å; Y119-F121 AromaticContact CD1-CZ 3.65Å; Y119-F121 HydrophobicContact CD1-CZ 3.65Å; Y119-F121 HydrophobicContact CE1-CZ 4.42Å; Y119-F121 AromaticContact CG-CE2 3.89Å; Y119-F121 HydrophobicContact CG-CE2 3.89Å; Y119-F121 HydrophobicContact CG-CZ 4.05Å; F121-F125 HydrophobicContact CB-CB 3.89Å; F121-F125 HydrophobicContact CB-CD2 4.22Å; F121-F125 HydrophobicContact CB-CG 3.99Å; F121-F125 AromaticContact CD1-CD2 3.7Å; F121-F125 HydrophobicContact CD1-CD2 3.7Å; F121-F125 AromaticContact CD1-CE2 3.92Å; F121-F125 HydrophobicContact CD1-CE2 3.92Å; F121-F125 HydrophobicContact CD1-CG 4.31Å; F121-F125 HydrophobicContact CD2-CD1 4.08Å; F121-F125 HydrophobicContact CD2-CD2 4.05Å; F121-F125 HydrophobicContact CD2-CE1 4.05Å; F121-F125 HydrophobicContact CD2-CE2 4.03Å; F121-F125 HydrophobicContact CD2-CG 4.07Å; F121-F125 HydrophobicContact CD2-CZ 4.03Å; F121-F125 AromaticContact CE1-CD2 3.99Å; F121-F125 HydrophobicContact CE1-CD2 3.99Å; F121-F125 AromaticContact CE1-CE2 3.73Å; F121-F125 HydrophobicContact CE1-CE2 3.73Å; F121-F125 HydrophobicContact CE1-CZ 4.4Å; F121-F125 HydrophobicContact CE2-CD2 4.31Å; F121-F125 HydrophobicContact CE2-CE1 4.08Å; F121-F125 AromaticContact CE2-CE2 3.84Å; F121-F125 HydrophobicContact CE2-CE2 3.84Å; F121-F125 AromaticContact CE2-CZ 3.69Å; F121-F125 HydrophobicContact CE2-CZ 3.69Å; F121-F125 HydrophobicContact CG-CB 4.32Å; F121-F125 HydrophobicContact CG-CD1 4.35Å; F121-F125 AromaticContact CG-CD2 3.73Å; F121-F125 HydrophobicContact CG-CD2 3.73Å; F121-F125 HydrophobicContact CG-CE2 4.08Å; F121-F125 AromaticContact CG-CG 3.88Å; F121-F125 HydrophobicContact CG-CG 3.88Å; F121-F125 HydrophobicContact CZ-CD2 4.31Å; F121-F125 AromaticContact CZ-CE2 3.7Å; F121-F125 HydrophobicContact CZ-CE2 3.7Å; F121-F125 AromaticContact CZ-CZ 3.92Å; F121-F125 HydrophobicContact CZ-CZ 3.92Å; F121-Y222 HydrophobicContact CD2-CD1 4.3Å; F121-Y222 AromaticContact CE2-CD1 3.93Å; F121-Y222 HydrophobicContact CE2-CD1 3.93Å; F121-Y222 HydrophobicContact CE2-CE1 4.37Å; F121-A223 WeakPolarHBondContact CA-O 3.46Å; F121-A223 PolarHBondContact N-O 3.17Å; F121-Y224 HydrophobicContact CB-CD1 3.98Å; F121-Y224 HydrophobicContact CB-CE1 4.45Å; F121-Y224 HydrophobicContact CD2-CD1 4.46Å; F121-Y224 HydrophobicContact CD2-CE1 4.1Å; F121-Y224 CarbonylContact O-C 3.16Å; F121-Y224 VanDerWaalsContact O-CA 3.23Å; F121-Y224 WeakPolarHBondContact O-CA 3.41Å; F121-N225 PolarHBondContact O-N 3.27Å; F121-G226 WeakPolarHBondContact O-CA 3.4Å; F121-G226 PolarHBondContact O-N 3.24Å | ||
| 122 | T | 94.4 | Very high | 88.3 | Confident | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | trans | -84.8 | 161.8 | 171.3 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | Q124 F125 Y224 V228 | T122-Q124 PolarHBondContact O-N 3.12Å; T122-Q124 VanDerWaalsContact O-N 3.09Å; T122-F125 VanDerWaalsContact O-CB 3.27Å; T122-F125 WeakPolarHBondContact O-CB 3.29Å; T122-F125 PolarHBondContact O-N 3.36Å; T122-Y224 CarbonylContact C-O 3.39Å; T122-V228 HydrophobicContact CG2-CG2 4.34Å | ||
| 123 | P | 94.7 | Very high | 90 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -55.2 | -29.7 | 176.5 | -30 | 36.1 | 0 | 0 | 0 | 114.1 | F125 L126 I196 Y224 | P123-F125 PolarHBondContact O-N 3.42Å; P123-L126 PolarHBondContact O-N 3.04Å; P123-I196 HydrophobicContact CB-CD1 3.74Å; P123-I196 HydrophobicContact CB-CG1 4.21Å; P123-I196 HydrophobicContact CG-CD1 4.29Å; P123-I196 HydrophobicContact CG-CG1 4.45Å; P123-I196 HydrophobicContact CG-CG2 4.45Å; P123-Y224 WeakPolarHBondContact CA-O 3.4Å; P123-Y224 WeakPolarHBondContact CD-O 3.31Å; P123-Y224 WeakPolarHBondContact CG-O 3.23Å |
| 124 | Q | 92.9 | Very high | 91.8 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -62.5 | -26 | -179.3 | -174.6 | 58.2 | 27.6 | 0 | 0 | 112.5 | T122 L126 R127 | T122-Q124 PolarHBondContact O-N 3.12Å; T122-Q124 VanDerWaalsContact O-N 3.09Å; Q124-L126 VanDerWaalsContact C-N 3.26Å; Q124-L126 PolarHBondContact O-N 2.93Å; Q124-R127 PolarHBondContact O-N 2.82Å |
| 125 | F | 95 | Very high | 92.6 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -57 | -39.5 | 178.4 | -170.9 | -86.7 | 0 | 0 | 0 | 112.2 | I73 L82 F121 T122 P123 R127 L128 F184 Y224 | I73-F125 HydrophobicContact CG2-CE2 4.45Å; L82-F125 HydrophobicContact CB-CE2 4.49Å; L82-F125 HydrophobicContact CD1-CD2 3.86Å; L82-F125 HydrophobicContact CD1-CE2 3.8Å; F121-F125 HydrophobicContact CB-CB 3.89Å; F121-F125 HydrophobicContact CB-CD2 4.22Å; F121-F125 HydrophobicContact CB-CG 3.99Å; F121-F125 AromaticContact CD1-CD2 3.7Å; F121-F125 HydrophobicContact CD1-CD2 3.7Å; F121-F125 AromaticContact CD1-CE2 3.92Å; F121-F125 HydrophobicContact CD1-CE2 3.92Å; F121-F125 HydrophobicContact CD1-CG 4.31Å; F121-F125 HydrophobicContact CD2-CD1 4.08Å; F121-F125 HydrophobicContact CD2-CD2 4.05Å; F121-F125 HydrophobicContact CD2-CE1 4.05Å; F121-F125 HydrophobicContact CD2-CE2 4.03Å; F121-F125 HydrophobicContact CD2-CG 4.07Å; F121-F125 HydrophobicContact CD2-CZ 4.03Å; F121-F125 AromaticContact CE1-CD2 3.99Å; F121-F125 HydrophobicContact CE1-CD2 3.99Å; F121-F125 AromaticContact CE1-CE2 3.73Å; F121-F125 HydrophobicContact CE1-CE2 3.73Å; F121-F125 HydrophobicContact CE1-CZ 4.4Å; F121-F125 HydrophobicContact CE2-CD2 4.31Å; F121-F125 HydrophobicContact CE2-CE1 4.08Å; F121-F125 AromaticContact CE2-CE2 3.84Å; F121-F125 HydrophobicContact CE2-CE2 3.84Å; F121-F125 AromaticContact CE2-CZ 3.69Å; F121-F125 HydrophobicContact CE2-CZ 3.69Å; F121-F125 HydrophobicContact CG-CB 4.32Å; F121-F125 HydrophobicContact CG-CD1 4.35Å; F121-F125 AromaticContact CG-CD2 3.73Å; F121-F125 HydrophobicContact CG-CD2 3.73Å; F121-F125 HydrophobicContact CG-CE2 4.08Å; F121-F125 AromaticContact CG-CG 3.88Å; F121-F125 HydrophobicContact CG-CG 3.88Å; F121-F125 HydrophobicContact CZ-CD2 4.31Å; F121-F125 AromaticContact CZ-CE2 3.7Å; F121-F125 HydrophobicContact CZ-CE2 3.7Å; F121-F125 AromaticContact CZ-CZ 3.92Å; F121-F125 HydrophobicContact CZ-CZ 3.92Å; T122-F125 VanDerWaalsContact O-CB 3.27Å; T122-F125 WeakPolarHBondContact O-CB 3.29Å; T122-F125 PolarHBondContact O-N 3.36Å; P123-F125 PolarHBondContact O-N 3.42Å; F125-R127 PolarHBondContact O-N 3Å; F125-R127 VanDerWaalsContact O-N 3.17Å; F125-L128 HydrophobicContact CD2-CD1 4.12Å; F125-L128 HydrophobicContact CG-CD1 4.47Å; F125-L128 WeakPolarHBondContact O-CB 3.09Å; F125-L128 WeakPolarHBondContact O-CG 3.37Å; F125-L128 PolarHBondContact O-N 3.33Å; F125-F184 AromaticContact CD1-CE2 3.92Å; F125-F184 HydrophobicContact CD1-CE2 3.92Å; F125-F184 HydrophobicContact CD1-CZ 4.37Å; F125-F184 AromaticContact CE1-CE2 3.5Å; F125-F184 HydrophobicContact CE1-CE2 3.5Å; F125-F184 AromaticContact CE1-CZ 3.5Å; F125-F184 HydrophobicContact CE1-CZ 3.5Å; F125-F184 AromaticContact CZ-CE2 3.94Å; F125-F184 HydrophobicContact CZ-CE2 3.94Å; F125-F184 AromaticContact CZ-CZ 3.62Å; F125-F184 HydrophobicContact CZ-CZ 3.62Å; F125-Y224 HydrophobicContact CB-CD1 4.4Å; F125-Y224 HydrophobicContact CD1-CD1 4.2Å; F125-Y224 AromaticContact CD1-CE1 3.72Å; F125-Y224 HydrophobicContact CD1-CE1 3.72Å; F125-Y224 HydrophobicContact CE1-CE1 4.25Å |
| 126 | L | 95 | Very high | 93 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68.5 | -12.4 | 179.6 | -65 | 175.6 | 0 | 0 | 0 | 113.6 | P123 Q124 L187 I192 M195 I196 Y224 | P123-L126 PolarHBondContact O-N 3.04Å; Q124-L126 VanDerWaalsContact C-N 3.26Å; Q124-L126 PolarHBondContact O-N 2.93Å; L126-L187 HydrophobicContact CD2-CD1 4.19Å; L126-I192 HydrophobicContact CB-CG1 4.29Å; L126-I192 HydrophobicContact CB-CG2 4.21Å; L126-I192 HydrophobicContact CD1-CB 4.45Å; L126-I192 HydrophobicContact CD1-CG2 3.91Å; L126-M195 HydrophobicContact CD1-CB 3.98Å; L126-M195 HydrophobicContact CD2-CE 3.47Å; L126-M195 VanDerWaalsContact CD2-CE 3.47Å; L126-M195 HydrophobicContact CD2-SD 4.31Å; L126-I196 HydrophobicContact CD1-CD1 4.46Å; L126-I196 HydrophobicContact CD1-CG1 3.96Å; L126-Y224 HydrophobicContact CD1-CD1 4.2Å; L126-Y224 HydrophobicContact CD1-CD2 3.95Å; L126-Y224 HydrophobicContact CD1-CG 3.71Å; L126-Y224 HydrophobicContact CD2-CD1 3.71Å; L126-Y224 HydrophobicContact CD2-CD2 4.02Å; L126-Y224 HydrophobicContact CD2-CE1 3.57Å; L126-Y224 HydrophobicContact CD2-CE2 3.89Å; L126-Y224 HydrophobicContact CD2-CG 3.92Å; L126-Y224 HydrophobicContact CG-CD1 3.71Å; L126-Y224 HydrophobicContact CG-CD2 4.25Å; L126-Y224 HydrophobicContact CG-CE1 4.11Å; L126-Y224 HydrophobicContact CG-CG 3.77Å |
| 127 | R | 93.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 43 Ų | 43 | 42% | 0.419 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -103 | -2.3 | -179.3 | -56.2 | -172.7 | -175.1 | -76.5 | 0.3 | 113.2 | Q124 F125 E189 | Q124-R127 PolarHBondContact O-N 2.82Å; F125-R127 PolarHBondContact O-N 3Å; F125-R127 VanDerWaalsContact O-N 3.17Å; R127-E189 IonicContact CZ-OE1 3.42Å; R127-E189 IonicContact CZ-OE2 3.6Å; R127-E189 IonicContact NH1-OE1 3.95Å; R127-E189 PolarHBondContact NH1-OE1 2.91Å; R127-E189 IonicContact NH1-OE2 3.34Å; R127-E189 PolarHBondContact NH1-OE2 2.86Å; R127-E189 IonicContact NH2-OE1 2.64Å; R127-E189 PolarHBondContact NH2-OE1 2.84Å; R127-E189 IonicContact NH2-OE2 3.58Å |
| 128 | L | 94 | Very high | 93.5 | Very high | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | trans | -68.5 | 148.1 | 177 | -62.2 | 177 | 0 | 0 | 0 | 110.5 | D75 L82 F125 V131 F184 | D75-L128 HydrophobicContact CB-CD1 4.39Å; D75-L128 HydrophobicContact CB-CD2 4.31Å; L82-L128 HydrophobicContact CD1-CD1 3.35Å; L82-L128 HydrophobicContact CD2-CD1 4.47Å; F125-L128 HydrophobicContact CD2-CD1 4.12Å; F125-L128 HydrophobicContact CG-CD1 4.47Å; F125-L128 WeakPolarHBondContact O-CB 3.09Å; F125-L128 WeakPolarHBondContact O-CG 3.37Å; F125-L128 PolarHBondContact O-N 3.33Å; L128-V131 HydrophobicContact CB-CG1 4.21Å; L128-V131 HydrophobicContact CD1-CG1 3.65Å; L128-F184 HydrophobicContact CB-CD2 4.15Å; L128-F184 HydrophobicContact CB-CE2 4.28Å; L128-F184 WeakPolarHBondContact O-CB 3.5Å | ||
| 129 | K | 92 | Very high | 93.7 | Very high | 119 Ų | 119 | 37 Ų | 37 | 52% | 0.517 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -92.2 | -43.9 | 175.8 | -66.8 | 179.1 | -179.3 | 174.5 | 0 | 111.7 | F184 | K129-F184 PolarHBondContact O-N 2.9Š|
| 130 | H | 92.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128.8 | -173.4 | -53.4 | -70.6 | 0 | 0 | 0 | 109.7 | L76 Y182 D183 | L76-H130 HydrophobicContact CB-CB 3.82Å; L76-H130 WeakPolarHBondContact CB-O 3.34Å; L76-H130 HydrophobicContact CD2-CB 3.7Å; L76-H130 HydrophobicContact CG-CB 4.35Å; L76-H130 PolarHBondContact N-O 2.79Å; L76-H130 VanDerWaalsContact N-O 3.07Å; H130-Y182 WeakPolarHBondContact CA-O 3.4Å; H130-D183 IonicContact CE1-OD1 2.75Å; H130-D183 PolarHBondContact CE1-OD1 2.81Å; H130-D183 IonicContact CG-OD1 2.85Å; H130-D183 IonicContact ND1-OD1 2.58Å; H130-D183 PolarHBondContact ND1-OD1 2.74Å |
| 131 | V | 93.8 | Very high | 94 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.8 | 168.3 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | I73 R74 L82 L128 Y182 F184 | I73-V131 HydrophobicContact CG2-CB 4.08Å; I73-V131 HydrophobicContact CG2-CG2 4.31Å; R74-V131 CarbonylContact O-C 3.56Å; R74-V131 VanDerWaalsContact O-CA 3.3Å; R74-V131 WeakPolarHBondContact O-CA 3.37Å; L82-V131 HydrophobicContact CD1-CG1 3.97Å; L128-V131 HydrophobicContact CB-CG1 4.21Å; L128-V131 HydrophobicContact CD1-CG1 3.65Å; V131-Y182 HydrophobicContact CG2-CD2 4.14Å; V131-Y182 HydrophobicContact CG2-CG 4.16Å; V131-Y182 PolarHBondContact N-O 3.21Å; V131-Y182 VanDerWaalsContact N-O 3.11Å; V131-Y182 PolarHBondContact O-N 2.84Å; V131-F184 HydrophobicContact CB-CZ 4.38Å; V131-F184 HydrophobicContact CG1-CE1 4.39Å; V131-F184 HydrophobicContact CG1-CE2 4.12Å; V131-F184 HydrophobicContact CG1-CZ 3.89Å; V131-F184 HydrophobicContact CG2-CD1 4.29Å; V131-F184 HydrophobicContact CG2-CE1 3.4Å; V131-F184 HydrophobicContact CG2-CE2 4.5Å; V131-F184 HydrophobicContact CG2-CZ 3.52Å |
| 132 | T | 93.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.4 | 170 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | I73 R74 L76 E179 H180 I181 | I73-T132 CarbonylContact C-O 3.58Å; I73-T132 WeakPolarHBondContact CA-O 3.46Å; R74-T132 PolarHBondContact N-O 3.28Å; R74-T132 PolarHBondContact O-N 2.81Å; L76-T132 HydrophobicContact CB-CG2 4.32Å; L76-T132 HydrophobicContact CD1-CG2 3.81Å; L76-T132 HydrophobicContact CD2-CG2 4.5Å; L76-T132 HydrophobicContact CG-CG2 4.43Å; T132-E179 HydrophobicContact CG2-CG 4.38Å; T132-H180 CarbonylContact C-O 3.5Å; T132-H180 VanDerWaalsContact CA-O 3.3Å; T132-H180 WeakPolarHBondContact CA-O 3.34Å; T132-I181 HydrophobicContact CG2-CG1 4.24Å |
| 133 | A | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F71 K72 I73 E179 H180 Y182 | F71-A133 HydrophobicContact CE2-CB 3.76Å; F71-A133 HydrophobicContact CZ-CB 4Å; K72-A133 CarbonylContact O-C 3.58Å; K72-A133 VanDerWaalsContact O-CA 3.27Å; K72-A133 WeakPolarHBondContact O-CA 3.18Å; I73-A133 HydrophobicContact CG1-CB 4.4Å; A133-E179 CarbonylContact O-C 3.59Å; A133-E179 WeakPolarHBondContact O-CA 3.46Å; A133-H180 HydrophobicContact CB-CB 4.44Å; A133-H180 PolarHBondContact N-O 2.87Å; A133-H180 PolarHBondContact O-N 2.89Å; A133-Y182 HydrophobicContact CB-CD2 4.27Å; A133-Y182 HydrophobicContact CB-CE2 3.58Å |
| 134 | T | 93.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.2 | 166.5 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | M1 F71 K72 T177 C178 | M1-T134 HydrophobicContact CE-CG2 3.68Å; F71-T134 WeakPolarHBondContact CA-O 3.31Å; K72-T134 PolarHBondContact N-O 2.97Å; K72-T134 PolarHBondContact O-N 3.43Å; T134-T177 HydrophobicContact CG2-CG2 3.9Å; T134-C178 CarbonylContact C-O 3.53Å; T134-C178 WeakPolarHBondContact CA-O 3.43Å |
| 135 | V | 92.4 | Very high | 94 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.6 | 178.5 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | F68 C70 F71 F137 T177 C178 | F68-V135 HydrophobicContact CD1-CG1 3.33Å; F68-V135 HydrophobicContact CE1-CG1 3.61Å; F68-V135 HydrophobicContact CG-CG1 4.46Å; C70-V135 WeakPolarHBondContact O-CA 3.49Å; F71-V135 HydrophobicContact CD2-CG2 3.8Å; F71-V135 HydrophobicContact CE2-CG2 4.01Å; V135-F137 HydrophobicContact CG1-CD1 4.45Å; V135-T177 WeakPolarHBondContact O-CA 3.42Å; V135-C178 PolarHBondContact N-O 2.87Å; V135-C178 PolarHBondContact O-N 2.78Å |
| 136 | E | 93.2 | Very high | 94 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.6 | 169.3 | -52.5 | -167.5 | -172.3 | 0 | 0 | 110 | T69 C70 R175 N176 T177 | T69-E136 PolarHBondContact N-O 2.97Å; T69-E136 PolarHBondContact OG1-O 3.05Å; C70-E136 HydrophobicContact CB-CB 3.94Å; C70-E136 HydrophobicContact CB-CG 4.04Å; C70-E136 PolarHBondContact N-O 3.37Å; C70-E136 PolarHBondContact O-N 3.45Å; E136-R175 IonicContact OE2-CZ 3.52Å; E136-R175 IonicContact OE2-NE 3.35Å; E136-R175 PolarHBondContact OE2-NE 2.87Å; E136-R175 IonicContact OE2-NH2 3.62Å; E136-R175 PolarHBondContact OE2-NH2 3.11Å; E136-N176 WeakPolarHBondContact CA-O 3.38Å; E136-T177 HydrophobicContact CG-CG2 3.98Å |
| 137 | F | 93.1 | Very high | 94 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.2 | -179 | 61 | -83.6 | 0 | 0 | 0 | 112.2 | I66 D67 F68 V135 V139 F147 F167 C170 R175 N176 C178 | I66-F137 HydrophobicContact CG2-CD2 4.06Å; D67-F137 CarbonylContact O-C 3.51Å; D67-F137 WeakPolarHBondContact O-CA 3.42Å; D67-F137 WeakPolarHBondContact O-CB 3.3Å; F68-F137 HydrophobicContact CD1-CB 3.68Å; F68-F137 HydrophobicContact CD1-CD1 4.46Å; F68-F137 HydrophobicContact CD1-CG 4.34Å; F68-F137 HydrophobicContact CE1-CB 4Å; F68-F137 HydrophobicContact CE1-CD1 4.19Å; F68-F137 HydrophobicContact CE1-CG 4.2Å; F68-F137 HydrophobicContact CG-CB 4.42Å; V135-F137 HydrophobicContact CG1-CD1 4.45Å; F137-V139 HydrophobicContact CD2-CG2 3.95Å; F137-V139 HydrophobicContact CE2-CG2 3.88Å; F137-F147 HydrophobicContact CE2-CD1 4.32Å; F137-F147 HydrophobicContact CE2-CE1 4.07Å; F137-F147 HydrophobicContact CZ-CD1 4.25Å; F137-F147 HydrophobicContact CZ-CE1 4.11Å; F137-F167 AromaticContact CE1-CD1 3.96Å; F137-F167 HydrophobicContact CE1-CD1 3.96Å; F137-F167 AromaticContact CE1-CE1 3.93Å; F137-F167 HydrophobicContact CE1-CE1 3.93Å; F137-F167 HydrophobicContact CZ-CD1 4.02Å; F137-F167 HydrophobicContact CZ-CE1 4.36Å; F137-C170 HydrophobicContact CE2-CB 4.38Å; F137-R175 CarbonylContact O-C 3.54Å; F137-R175 WeakPolarHBondContact O-CA 3.25Å; F137-N176 HydrophobicContact CD1-CB 4.23Å; F137-N176 HydrophobicContact CD2-CB 4.08Å; F137-N176 HydrophobicContact CE1-CB 3.78Å; F137-N176 HydrophobicContact CE2-CB 3.62Å; F137-N176 HydrophobicContact CG-CB 4.38Å; F137-N176 HydrophobicContact CZ-CB 3.45Å; F137-N176 VanDerWaalsContact CZ-CB 3.45Å; F137-N176 PolarHBondContact N-O 3.24Å; F137-N176 PolarHBondContact O-N 2.68Å; F137-C178 HydrophobicContact CE1-CB 4.3Å |
| 138 | T | 94.7 | Very high | 94.2 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 27% | 0.27 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 160 | 170.2 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | I66 D67 T69 S174 | I66-T138 WeakPolarHBondContact CA-O 3.48Å; D67-T138 PolarHBondContact N-O 3.4Å; D67-T138 VanDerWaalsContact N-O 3.15Å; D67-T138 PolarHBondContact O-N 3.48Å; T69-T138 HydrophobicContact CG2-CG2 4.31Å; T138-S174 CarbonylContact C-O 3.57Å; T138-S174 WeakPolarHBondContact CA-O 3.39Å |
| 139 | V | 94.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.9 | 174.4 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | I66 F137 V144 C170 N173 S174 | I66-V139 HydrophobicContact CG1-CG2 4.43Å; F137-V139 HydrophobicContact CD2-CG2 3.95Å; F137-V139 HydrophobicContact CE2-CG2 3.88Å; V139-V144 HydrophobicContact CG1-CB 4.48Å; V139-V144 HydrophobicContact CG1-CG2 3.48Å; V139-V144 VanDerWaalsContact CG1-CG2 3.48Å; V139-V144 HydrophobicContact CG2-CG2 4.48Å; V139-C170 HydrophobicContact CG2-CB 3.86Å; V139-N173 WeakPolarHBondContact O-CA 3.46Å; V139-N173 PolarHBondContact O-N 3.06Å; V139-N173 VanDerWaalsContact O-N 3.14Å; V139-S174 PolarHBondContact N-O 3.4Å; V139-S174 PolarHBondContact O-N 3.36Å |
| 140 | G | 95.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | trans | -68.3 | -158.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y64 D65 R142 P172 N173 | Y64-G140 WeakPolarHBondContact O-CA 3.25Å; Y64-G140 PolarHBondContact O-N 2.82Å; D65-G140 PolarHBondContact O-N 3.15Å; G140-R142 PolarHBondContact O-N 3.24Å; G140-P172 CarbonylContact O-C 3.56Å; G140-P172 WeakPolarHBondContact O-CA 3.25Å; G140-N173 PolarHBondContact O-N 2.94Å | ||
| 141 | D | 95.8 | Very high | 94.8 | Very high | 106 Ų | 106 | 33.1 Ų | 33.1 | 57% | 0.567 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -74 | -12.5 | -171.7 | 72.1 | -12.1 | 0 | 0 | 0 | 114.5 | P172 | D141-P172 WeakPolarHBondContact O-CB 3.32Š|
| 142 | R | 94.5 | Very high | 94.9 | Very high | 129 Ų | 129 | 33.5 Ų | 33.5 | 49% | 0.487 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -93.4 | 139.8 | -178 | -55.3 | -167.3 | -175.1 | 174.8 | 1.7 | 112.2 | V63 Y64 G140 V144 | V63-R142 WeakPolarHBondContact O-CD 3.44Å; Y64-R142 HydrophobicContact CD1-CB 3.84Å; Y64-R142 HydrophobicContact CE1-CB 4.27Å; G140-R142 PolarHBondContact O-N 3.24Å; R142-V144 PolarHBondContact O-N 3.37Å |
| 143 | P | 93.2 | Very high | 95 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 44% | 0.435 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 133 | 171 | 27.3 | -32.8 | 0 | 0 | 0 | 110.3 | F169 P172 | P143-F169 HydrophobicContact CB-CE2 4.05Å; P143-P172 HydrophobicContact CB-CG 4Å |
| 144 | V | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120 | 175.9 | -180 | 0 | 0 | 0 | 0 | 108.5 | Y64 I66 V139 R142 F147 F169 C170 V210 | Y64-V144 HydrophobicContact CD1-CG2 3.63Å; Y64-V144 HydrophobicContact CE1-CG2 4.46Å; Y64-V144 HydrophobicContact CG-CG2 3.92Å; I66-V144 HydrophobicContact CD1-CG1 4.24Å; I66-V144 HydrophobicContact CD1-CG2 4.14Å; I66-V144 HydrophobicContact CG1-CG2 4.39Å; V139-V144 HydrophobicContact CG1-CB 4.48Å; V139-V144 HydrophobicContact CG1-CG2 3.48Å; V139-V144 VanDerWaalsContact CG1-CG2 3.48Å; V139-V144 HydrophobicContact CG2-CG2 4.48Å; R142-V144 PolarHBondContact O-N 3.37Å; V144-F147 HydrophobicContact CG1-CB 3.7Å; V144-F147 HydrophobicContact CG1-CD2 4.44Å; V144-F147 HydrophobicContact CG1-CG 4.16Å; V144-F169 WeakPolarHBondContact O-CA 3.44Å; V144-F169 VanDerWaalsContact O-CD2 3.31Å; V144-F169 WeakPolarHBondContact O-CD2 3.11Å; V144-C170 HydrophobicContact CB-CB 4.05Å; V144-C170 PolarHBondContact N-O 3.3Å; V144-C170 PolarHBondContact O-N 2.95Å; V144-V210 HydrophobicContact CG1-CB 4.43Å; V144-V210 HydrophobicContact CG1-CG1 3.89Å; V144-V210 HydrophobicContact CG1-CG2 3.62Å |
| 145 | N | 94.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 34% | 0.342 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.9 | 178.8 | -65.3 | -56.9 | 0 | 0 | 0 | 110.5 | F147 F169 V210 E211 | N145-F147 PolarHBondContact O-N 3.16Å; N145-F169 VanDerWaalsContact OD1-CD2 3.23Å; N145-F169 WeakPolarHBondContact OD1-CD2 3.27Å; N145-V210 WeakPolarHBondContact O-CG1 3.48Å; N145-E211 HydrophobicContact CB-CG 4.12Å; N145-E211 WeakPolarHBondContact CB-OE1 3.29Å; N145-E211 PolarHBondContact O-N 3.31Å |
| 146 | R | 94.2 | Very high | 95.2 | Very high | 144 Ų | 144 | 38.4 Ų | 38.4 | 54% | 0.543 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 42.8 | 177 | -57.5 | -178 | -179.4 | 172.6 | 0.7 | 112.8 | R148 G168 E211 | R146-R148 PolarHBondContact O-N 2.95Å; R146-G168 PolarHBondContact N-O 3.07Å; R146-G168 VanDerWaalsContact N-O 3.17Å; R146-E211 WeakPolarHBondContact CD-OE2 3.35Å; R146-E211 IonicContact NE-OE2 3.89Å; R146-E211 IonicContact NH1-OE2 3.84Å |
| 147 | F | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 126.7 | 176.2 | -174.1 | -143.1 | 0 | 0 | 0 | 109.5 | I66 F68 F137 V144 N145 E166 F167 G168 Y208 F209 V210 I215 M216 | I66-F147 HydrophobicContact CD1-CD2 4.09Å; I66-F147 HydrophobicContact CD1-CE1 4.26Å; I66-F147 HydrophobicContact CD1-CE2 3.7Å; I66-F147 HydrophobicContact CD1-CZ 3.81Å; I66-F147 HydrophobicContact CG2-CZ 4.16Å; F68-F147 HydrophobicContact CZ-CZ 4.18Å; F137-F147 HydrophobicContact CE2-CD1 4.32Å; F137-F147 HydrophobicContact CE2-CE1 4.07Å; F137-F147 HydrophobicContact CZ-CD1 4.25Å; F137-F147 HydrophobicContact CZ-CE1 4.11Å; V144-F147 HydrophobicContact CG1-CB 3.7Å; V144-F147 HydrophobicContact CG1-CD2 4.44Å; V144-F147 HydrophobicContact CG1-CG 4.16Å; N145-F147 PolarHBondContact O-N 3.16Å; F147-E166 CarbonylContact O-C 3.52Å; F147-F167 HydrophobicContact CB-CB 4Å; F147-F167 HydrophobicContact CB-CD2 4.42Å; F147-F167 HydrophobicContact CD1-CB 3.7Å; F147-F167 AromaticContact CD1-CD1 3.98Å; F147-F167 HydrophobicContact CD1-CD1 3.98Å; F147-F167 AromaticContact CD1-CD2 3.47Å; F147-F167 HydrophobicContact CD1-CD2 3.47Å; F147-F167 VanDerWaalsContact CD1-CD2 3.47Å; F147-F167 HydrophobicContact CD1-CE1 4.42Å; F147-F167 AromaticContact CD1-CE2 3.98Å; F147-F167 HydrophobicContact CD1-CE2 3.98Å; F147-F167 AromaticContact CD1-CG 3.47Å; F147-F167 HydrophobicContact CD1-CG 3.47Å; F147-F167 VanDerWaalsContact CD1-CG 3.47Å; F147-F167 HydrophobicContact CD1-CZ 4.41Å; F147-F167 HydrophobicContact CE1-CD1 4.14Å; F147-F167 AromaticContact CE1-CD2 3.83Å; F147-F167 HydrophobicContact CE1-CD2 3.83Å; F147-F167 HydrophobicContact CE1-CE1 4.13Å; F147-F167 AromaticContact CE1-CE2 3.83Å; F147-F167 HydrophobicContact CE1-CE2 3.83Å; F147-F167 AromaticContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE1-CG 3.99Å; F147-F167 AromaticContact CE1-CZ 3.97Å; F147-F167 HydrophobicContact CE1-CZ 3.97Å; F147-F167 HydrophobicContact CG-CB 4.19Å; F147-F167 AromaticContact CG-CD2 3.91Å; F147-F167 HydrophobicContact CG-CD2 3.91Å; F147-F167 HydrophobicContact CG-CG 4.2Å; F147-F167 HydrophobicContact CZ-CE2 4.31Å; F147-F167 WeakPolarHBondContact O-CA 3.36Å; F147-F167 WeakPolarHBondContact O-CB 3.37Å; F147-F167 PolarHBondContact O-N 2.62Å; F147-G168 PolarHBondContact N-O 3.39Å; F147-G168 PolarHBondContact O-N 3.17Å; F147-G168 VanDerWaalsContact O-N 3.13Å; F147-Y208 HydrophobicContact CE2-CD1 4.03Å; F147-Y208 HydrophobicContact CE2-CG 4.48Å; F147-Y208 AromaticContact CZ-CD1 3.79Å; F147-Y208 HydrophobicContact CZ-CD1 3.79Å; F147-F209 WeakPolarHBondContact CA-O 3.27Å; F147-F209 WeakPolarHBondContact CD2-O 3.48Å; F147-V210 HydrophobicContact CD2-CG2 3.81Å; F147-V210 HydrophobicContact CE2-CG2 4.42Å; F147-I215 HydrophobicContact CE2-CD1 4.33Å; F147-M216 HydrophobicContact CE2-CE 4.34Å; F147-M216 HydrophobicContact CZ-CE 4.16Å |
| 148 | R | 96.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.1 | -172.9 | -175.7 | -178.5 | 179.9 | -171 | -3.3 | 110.2 | P30 R146 D164 F165 Y208 F209 E212 | P30-R148 VanDerWaalsContact CB-NH1 3.26Å; R146-R148 PolarHBondContact O-N 2.95Å; R148-D164 IonicContact CZ-OD1 2.61Å; R148-D164 IonicContact CZ-OD2 2.62Å; R148-D164 IonicContact NE-OD1 2.91Å; R148-D164 PolarHBondContact NE-OD1 3.17Å; R148-D164 IonicContact NE-OD2 3.86Å; R148-D164 VanDerWaalsContact NH2-CG 3.34Å; R148-D164 IonicContact NH2-OD1 2.68Å; R148-D164 PolarHBondContact NH2-OD1 2.71Å; R148-D164 IonicContact NH2-OD2 3.1Å; R148-D164 PolarHBondContact NH2-OD2 2.81Å; R148-F165 CarbonylContact C-O 3.52Å; R148-F165 VanDerWaalsContact CA-O 3.27Å; R148-F165 WeakPolarHBondContact CA-O 3.49Å; R148-F165 WeakPolarHBondContact CG-O 3.5Å; R148-Y208 CarbonylContact O-C 3.59Å; R148-Y208 WeakPolarHBondContact O-CA 3.48Å; R148-F209 HydrophobicContact CB-CB 4.49Å; R148-F209 PolarHBondContact N-O 2.76Å; R148-F209 PolarHBondContact O-N 3.13Å; R148-E212 IonicContact NH1-OE1 3.15Å |
| 149 | M | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.1 | 172 | -178.3 | -172.9 | 81.1 | 0 | 0 | 110 | E151 F165 F167 F207 Y208 | M149-E151 HydrophobicContact CE-CB 4.08Å; M149-F165 HydrophobicContact CE-CD2 3.51Å; M149-F165 HydrophobicContact CE-CE2 3.99Å; M149-F165 PolarHBondContact N-O 3.4Å; M149-F165 PolarHBondContact O-N 2.84Å; M149-F167 HydrophobicContact CB-CE2 3.75Å; M149-F167 HydrophobicContact CB-CZ 4.42Å; M149-F207 CarbonylContact C-O 3.58Å; M149-F207 VanDerWaalsContact CA-O 3.28Å; M149-F207 WeakPolarHBondContact CA-O 3.27Å; M149-Y208 HydrophobicContact CB-CD1 3.87Å; M149-Y208 HydrophobicContact CB-CE1 3.91Å; M149-Y208 HydrophobicContact CG-CD1 3.87Å; M149-Y208 HydrophobicContact CG-CE1 3.58Å; M149-Y208 HydrophobicContact CG-CG 4.5Å; M149-Y208 HydrophobicContact SD-CD1 4.29Å; M149-Y208 HydrophobicContact SD-CE1 3.4Å; M149-Y208 WeakPolarHBondContact SD-CE1 3.39Å; M149-Y208 VanDerWaalsContact SD-CZ 3.59Å; M149-Y208 PolarHBondContact SD-OH 3.29Å |
| 150 | I | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.3 | 166.7 | -64.2 | 178.9 | 0 | 0 | 0 | 107.5 | P30 V33 L34 R152 F163 D164 F207 F209 | P30-I150 HydrophobicContact CB-CD1 3.72Å; V33-I150 HydrophobicContact CG2-CB 4.27Å; V33-I150 HydrophobicContact CG2-CD1 3.96Å; V33-I150 HydrophobicContact CG2-CG2 4.16Å; L34-I150 HydrophobicContact CD1-CD1 4.11Å; L34-I150 HydrophobicContact CD2-CD1 4.06Å; L34-I150 HydrophobicContact CD2-CG2 4.04Å; L34-I150 HydrophobicContact CG-CD1 3.86Å; I150-R152 HydrophobicContact CG2-CG 4.14Å; I150-F163 CarbonylContact C-O 3.59Å; I150-F163 WeakPolarHBondContact CA-O 3.4Å; I150-D164 HydrophobicContact CG1-CB 4.46Å; I150-F207 PolarHBondContact N-O 2.95Å; I150-F207 WeakPolarHBondContact O-CD2 3.45Å; I150-F207 PolarHBondContact O-N 3.24Å; I150-F209 HydrophobicContact CB-CE2 4.31Å; I150-F209 HydrophobicContact CD1-CE2 4.24Å; I150-F209 HydrophobicContact CG1-CE2 4.32Å |
| 151 | E | 96.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.4 | 178.8 | -176 | 173.5 | 95.5 | 0 | 0 | 110.1 | M149 H153 S162 F163 Y182 D205 S206 | M149-E151 HydrophobicContact CE-CB 4.08Å; E151-H153 IonicContact OE1-CD2 2.74Å; E151-H153 IonicContact OE1-CE1 3.89Å; E151-H153 IonicContact OE1-NE2 3.09Å; E151-H153 PolarHBondContact OE1-NE2 2.8Å; E151-S162 CarbonylContact O-C 3.55Å; E151-S162 VanDerWaalsContact O-CA 3.31Å; E151-S162 WeakPolarHBondContact O-CA 3.4Å; E151-F163 PolarHBondContact N-O 2.81Å; E151-F163 PolarHBondContact O-N 2.52Å; E151-Y182 WeakPolarHBondContact OE1-CE1 3.33Å; E151-D205 CarbonylContact C-O 3.52Å; E151-D205 WeakPolarHBondContact CA-O 3.37Å; E151-S206 WeakPolarHBondContact CG-OG 3.24Å; E151-S206 PolarHBondContact OE2-OG 3.01Å |
| 152 | R | 96.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | -176.5 | -57.5 | -173.9 | 72.8 | 82.8 | -16.7 | 109.9 | V33 L34 L36 I150 F154 L159 S162 S204 D205 F207 | V33-R152 WeakPolarHBondContact O-CD 3.31Å; L34-R152 PolarHBondContact O-NH2 2.58Å; L34-R152 VanDerWaalsContact O-NH2 3.1Å; L36-R152 VanDerWaalsContact O-CZ 3.31Å; L36-R152 PolarHBondContact O-NE 2.87Å; L36-R152 VanDerWaalsContact O-NE 3.17Å; L36-R152 PolarHBondContact O-NH2 2.85Å; I150-R152 HydrophobicContact CG2-CG 4.14Å; R152-F154 HydrophobicContact CB-CD2 4.43Å; R152-F154 HydrophobicContact CB-CE2 3.47Å; R152-F154 VanDerWaalsContact CB-CE2 3.47Å; R152-F154 HydrophobicContact CB-CZ 3.72Å; R152-L159 HydrophobicContact CB-CD1 4.26Å; R152-S162 PolarHBondContact NH1-OG 2.88Å; R152-S204 CarbonylContact O-C 3.44Å; R152-S204 WeakPolarHBondContact O-CA 3.37Å; R152-S204 VanDerWaalsContact O-CB 3.29Å; R152-S204 WeakPolarHBondContact O-CB 3.3Å; R152-D205 PolarHBondContact N-O 2.87Å; R152-D205 PolarHBondContact O-N 2.82Å; R152-F207 HydrophobicContact CG-CE2 4.25Å |
| 153 | H | 96.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 12% | 0.116 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.9 | -179.7 | -71.5 | -106.1 | 0 | 0 | 0 | 110.5 | E151 L160 K161 F163 Y222 | E151-H153 IonicContact OE1-CD2 2.74Å; E151-H153 IonicContact OE1-CE1 3.89Å; E151-H153 IonicContact OE1-NE2 3.09Å; E151-H153 PolarHBondContact OE1-NE2 2.8Å; H153-L160 HydrophobicContact CB-CB 4.3Å; H153-L160 PolarHBondContact O-N 2.77Å; H153-K161 PolarHBondContact N-O 3.39Å; H153-K161 PolarHBondContact O-N 2.89Å; H153-F163 AromaticContact CD2-CD2 3.92Å; H153-F163 AromaticContact CD2-CE2 3.87Å; H153-Y222 AromaticContact CE1-CZ 3.62Å; H153-Y222 PolarHBondContact CE1-OH 3.24Å; H153-Y222 AromaticContact ND1-CE2 3.9Å; H153-Y222 AromaticContact ND1-CZ 3.91Å |
| 154 | F | 95.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.1 | -178.8 | -54.7 | -93.2 | 0 | 0 | 0 | 110.2 | R38 I39 R152 R158 L159 T202 R203 | R38-F154 VanDerWaalsContact C-CE1 3.46Å; R38-F154 VanDerWaalsContact C-CZ 3.46Å; R38-F154 WeakPolarHBondContact O-CZ 3.49Å; I39-F154 HydrophobicContact CB-CD2 3.96Å; I39-F154 HydrophobicContact CB-CE2 4.44Å; I39-F154 HydrophobicContact CB-CG 4.32Å; I39-F154 HydrophobicContact CD1-CD2 3.76Å; I39-F154 HydrophobicContact CD1-CE2 4.15Å; I39-F154 HydrophobicContact CG1-CD2 4.49Å; R152-F154 HydrophobicContact CB-CD2 4.43Å; R152-F154 HydrophobicContact CB-CE2 3.47Å; R152-F154 VanDerWaalsContact CB-CE2 3.47Å; R152-F154 HydrophobicContact CB-CZ 3.72Å; F154-R158 CarbonylContact C-O 3.52Å; F154-R158 WeakPolarHBondContact CA-O 3.33Å; F154-L159 HydrophobicContact CD1-CB 4.01Å; F154-L159 HydrophobicContact CD1-CD1 4.02Å; F154-L159 HydrophobicContact CE1-CB 3.94Å; F154-L159 HydrophobicContact CE1-CD1 3.54Å; F154-L159 HydrophobicContact CE1-CG 4.34Å; F154-L159 HydrophobicContact CE2-CD1 4.49Å; F154-L159 HydrophobicContact CZ-CD1 3.83Å; F154-T202 CarbonylContact O-C 3.55Å; F154-T202 VanDerWaalsContact O-CA 3.24Å; F154-T202 WeakPolarHBondContact O-CA 3.36Å; F154-T202 WeakPolarHBondContact O-CG2 3.35Å; F154-R203 PolarHBondContact N-O 2.82Å; F154-R203 PolarHBondContact O-N 2.87Å |
| 155 | F | 95.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.2 | 165.3 | 175.1 | -114.9 | 0 | 0 | 0 | 108.6 | D157 R158 L160 L191 E194 M195 C198 E201 T202 | F155-D157 VanDerWaalsContact C-N 3.32Å; F155-D157 PolarHBondContact O-N 3.36Å; F155-R158 PolarHBondContact N-O 3.28Å; F155-R158 WeakPolarHBondContact O-CB 3.38Å; F155-R158 PolarHBondContact O-N 2.83Å; F155-L160 HydrophobicContact CB-CD1 3.95Å; F155-L160 HydrophobicContact CB-CD2 4.05Å; F155-L160 HydrophobicContact CB-CG 4.08Å; F155-L191 HydrophobicContact CD1-CD1 3.51Å; F155-L191 HydrophobicContact CE1-CD1 3.74Å; F155-L191 HydrophobicContact CG-CD1 4.49Å; F155-E194 HydrophobicContact CE1-CB 4Å; F155-E194 VanDerWaalsContact CE1-CD 3.44Å; F155-E194 HydrophobicContact CE1-CG 3.85Å; F155-E194 HydrophobicContact CZ-CB 3.99Å; F155-E194 HydrophobicContact CZ-CG 3.73Å; F155-M195 HydrophobicContact CB-CG 4.46Å; F155-M195 HydrophobicContact CD1-CG 3.96Å; F155-M195 HydrophobicContact CD2-CG 3.72Å; F155-M195 HydrophobicContact CE1-CG 4.02Å; F155-M195 HydrophobicContact CE2-CB 4.3Å; F155-M195 HydrophobicContact CE2-CG 3.77Å; F155-M195 HydrophobicContact CG-CG 3.79Å; F155-M195 HydrophobicContact CZ-CG 3.92Å; F155-C198 HydrophobicContact CE2-CB 3.96Å; F155-C198 HydrophobicContact CZ-CB 4.1Å; F155-E201 HydrophobicContact CD2-CB 4.09Å; F155-E201 HydrophobicContact CE2-CB 3.78Å; F155-T202 VanDerWaalsContact CD2-OG1 3.25Å; F155-T202 WeakPolarHBondContact CD2-OG1 3.24Å |
| 156 | K | 93.1 | Very high | 94.7 | Very high | 89 Ų | 89 | 38 Ų | 38 | 39% | 0.387 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 53.7 | -175.7 | -61.7 | -178.8 | 179.2 | 172.8 | 0 | 112.8 | R158 E194 C198 E201 | K156-R158 PolarHBondContact O-N 2.84Å; K156-R158 VanDerWaalsContact O-N 3.09Å; K156-E194 IonicContact NZ-OE1 2.69Å; K156-E194 PolarHBondContact NZ-OE1 2.89Å; K156-C198 PolarHBondContact NZ-SG 3.25Å; K156-E201 HydrophobicContact CG-CB 4.08Å; K156-E201 HydrophobicContact CG-CG 4.49Å; K156-E201 PolarHBondContact N-O 3.44Å; K156-E201 VanDerWaalsContact N-O 3.13Å |
| 157 | D | 86.8 | Confident | 94.6 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 35% | 0.353 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 3.6 | -177.2 | -67.6 | -31 | 0 | 0 | 0 | 116.5 | R38 F155 | R38-D157 HydrophobicContact CG-CB 4.06Å; F155-D157 VanDerWaalsContact C-N 3.32Å; F155-D157 PolarHBondContact O-N 3.36Å |
| 158 | R | 91.5 | Very high | 94.2 | Very high | 158 Ų | 158 | 32.2 Ų | 32.2 | 60% | 0.596 | 15% | 0.151 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.7 | 172.1 | -178.8 | -179.3 | 171.7 | -175 | -2.7 | 110.3 | F154 F155 K156 L160 | F154-R158 CarbonylContact C-O 3.52Å; F154-R158 WeakPolarHBondContact CA-O 3.33Å; F155-R158 PolarHBondContact N-O 3.28Å; F155-R158 WeakPolarHBondContact O-CB 3.38Å; F155-R158 PolarHBondContact O-N 2.83Å; K156-R158 PolarHBondContact O-N 2.84Å; K156-R158 VanDerWaalsContact O-N 3.09Å; R158-L160 PolarHBondContact O-N 2.86Å |
| 159 | L | 93.4 | Very high | 94 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 31% | 0.314 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 122 | 173.1 | -176.5 | 71.9 | 0 | 0 | 0 | 110.4 | R152 F154 | R152-L159 HydrophobicContact CB-CD1 4.26Å; F154-L159 HydrophobicContact CD1-CB 4.01Å; F154-L159 HydrophobicContact CD1-CD1 4.02Å; F154-L159 HydrophobicContact CE1-CB 3.94Å; F154-L159 HydrophobicContact CE1-CD1 3.54Å; F154-L159 HydrophobicContact CE1-CG 4.34Å; F154-L159 HydrophobicContact CE2-CD1 4.49Å; F154-L159 HydrophobicContact CZ-CD1 3.83Å |
| 160 | L | 94.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 17% | 0.173 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -53.4 | 172.4 | -63.9 | 178.3 | 0 | 0 | 0 | 110.4 | H153 F155 R158 L187 L191 M195 T202 | H153-L160 HydrophobicContact CB-CB 4.3Å; H153-L160 PolarHBondContact O-N 2.77Å; F155-L160 HydrophobicContact CB-CD1 3.95Å; F155-L160 HydrophobicContact CB-CD2 4.05Å; F155-L160 HydrophobicContact CB-CG 4.08Å; R158-L160 PolarHBondContact O-N 2.86Å; L160-L187 HydrophobicContact CD2-CD2 4.33Å; L160-L191 HydrophobicContact CD2-CD2 3.99Å; L160-M195 HydrophobicContact CD1-CE 3.69Å; L160-M195 HydrophobicContact CD1-SD 4.2Å; L160-T202 HydrophobicContact CD1-CG2 4.05Å |
| 161 | K | 94.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 148.4 | -176.1 | -173.5 | 63.7 | 179.8 | 175.9 | 0 | 110.2 | D6 H153 F163 P185 | D6-K161 IonicContact OD2-NZ 3.63Å; H153-K161 PolarHBondContact N-O 3.39Å; H153-K161 PolarHBondContact O-N 2.89Å; K161-F163 HydrophobicContact CB-CE2 4.11Å; K161-F163 HydrophobicContact CB-CZ 4.22Å; K161-F163 HydrophobicContact CD-CE1 4.49Å; K161-F163 HydrophobicContact CG-CD1 4.27Å; K161-F163 HydrophobicContact CG-CD2 4.17Å; K161-F163 HydrophobicContact CG-CE1 3.75Å; K161-F163 HydrophobicContact CG-CE2 3.63Å; K161-F163 HydrophobicContact CG-CG 4.47Å; K161-F163 HydrophobicContact CG-CZ 3.41Å; K161-F163 VanDerWaalsContact CG-CZ 3.41Å; K161-P185 HydrophobicContact CB-CG 4.21Å |
| 162 | S | 94.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.6 | 166 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | S8 E151 R152 | S8-S162 PolarHBondContact OG-O 2.78Å; E151-S162 CarbonylContact O-C 3.55Å; E151-S162 VanDerWaalsContact O-CA 3.31Å; E151-S162 WeakPolarHBondContact O-CA 3.4Å; R152-S162 PolarHBondContact NH1-OG 2.88Å |
| 163 | F | 95.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143 | 172.6 | -59.1 | -80 | 0 | 0 | 0 | 109.5 | D6 I150 E151 H153 K161 F165 Y182 D183 F184 | D6-F163 HydrophobicContact CB-CD1 4.29Å; I150-F163 CarbonylContact C-O 3.59Å; I150-F163 WeakPolarHBondContact CA-O 3.4Å; E151-F163 PolarHBondContact N-O 2.81Å; E151-F163 PolarHBondContact O-N 2.52Å; H153-F163 AromaticContact CD2-CD2 3.92Å; H153-F163 AromaticContact CD2-CE2 3.87Å; K161-F163 HydrophobicContact CB-CE2 4.11Å; K161-F163 HydrophobicContact CB-CZ 4.22Å; K161-F163 HydrophobicContact CD-CE1 4.49Å; K161-F163 HydrophobicContact CG-CD1 4.27Å; K161-F163 HydrophobicContact CG-CD2 4.17Å; K161-F163 HydrophobicContact CG-CE1 3.75Å; K161-F163 HydrophobicContact CG-CE2 3.63Å; K161-F163 HydrophobicContact CG-CG 4.47Å; K161-F163 HydrophobicContact CG-CZ 3.41Å; K161-F163 VanDerWaalsContact CG-CZ 3.41Å; F163-F165 HydrophobicContact CB-CD2 4.22Å; F163-F165 HydrophobicContact CB-CE2 3.51Å; F163-F165 HydrophobicContact CB-CZ 4Å; F163-F165 HydrophobicContact CD1-CZ 4.36Å; F163-F165 HydrophobicContact CG-CE2 4.27Å; F163-F165 HydrophobicContact CG-CZ 4.44Å; F163-Y182 HydrophobicContact CB-CD1 4.38Å; F163-Y182 HydrophobicContact CB-CE1 4.2Å; F163-Y182 AromaticContact CD1-CD1 3.71Å; F163-Y182 HydrophobicContact CD1-CD1 3.71Å; F163-Y182 HydrophobicContact CD1-CE1 4.37Å; F163-Y182 AromaticContact CD2-CD1 3.62Å; F163-Y182 HydrophobicContact CD2-CD1 3.62Å; F163-Y182 AromaticContact CD2-CE1 3.8Å; F163-Y182 HydrophobicContact CD2-CE1 3.8Å; F163-Y182 AromaticContact CE1-CD1 3.76Å; F163-Y182 HydrophobicContact CE1-CD1 3.76Å; F163-Y182 HydrophobicContact CE1-CG 4.4Å; F163-Y182 AromaticContact CE2-CD1 3.67Å; F163-Y182 HydrophobicContact CE2-CD1 3.67Å; F163-Y182 HydrophobicContact CE2-CE1 4.22Å; F163-Y182 AromaticContact CG-CD1 3.64Å; F163-Y182 HydrophobicContact CG-CD1 3.64Å; F163-Y182 AromaticContact CG-CE1 3.87Å; F163-Y182 HydrophobicContact CG-CE1 3.87Å; F163-Y182 AromaticContact CZ-CD1 3.73Å; F163-Y182 HydrophobicContact CZ-CD1 3.73Å; F163-D183 WeakPolarHBondContact CE1-O 3.36Å; F163-F184 HydrophobicContact CZ-CD1 4.43Å |
| 164 | D | 95.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 108 | -176.9 | 179.3 | 7.5 | 0 | 0 | 0 | 110 | D6 R7 R148 I150 | D6-D164 PolarHBondContact OD1-N 3.14Å; R7-D164 HydrophobicContact CB-CB 4.35Å; R7-D164 PolarHBondContact N-O 3.11Å; R148-D164 IonicContact CZ-OD1 2.61Å; R148-D164 IonicContact CZ-OD2 2.62Å; R148-D164 IonicContact NE-OD1 2.91Å; R148-D164 PolarHBondContact NE-OD1 3.17Å; R148-D164 IonicContact NE-OD2 3.86Å; R148-D164 VanDerWaalsContact NH2-CG 3.34Å; R148-D164 IonicContact NH2-OD1 2.68Å; R148-D164 PolarHBondContact NH2-OD1 2.71Å; R148-D164 IonicContact NH2-OD2 3.1Å; R148-D164 PolarHBondContact NH2-OD2 2.81Å; I150-D164 HydrophobicContact CG1-CB 4.46Å |
| 165 | F | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.4 | -176.5 | -59.3 | -73.9 | 0 | 0 | 0 | 110.7 | L4 D6 R148 M149 F163 H180 I181 Y182 | L4-F165 HydrophobicContact CB-CB 4.39Å; L4-F165 HydrophobicContact CB-CD1 3.94Å; L4-F165 HydrophobicContact CD1-CB 4.08Å; D6-F165 HydrophobicContact CB-CE1 4.13Å; D6-F165 HydrophobicContact CB-CZ 4.43Å; R148-F165 CarbonylContact C-O 3.52Å; R148-F165 VanDerWaalsContact CA-O 3.27Å; R148-F165 WeakPolarHBondContact CA-O 3.49Å; R148-F165 WeakPolarHBondContact CG-O 3.5Å; M149-F165 HydrophobicContact CE-CD2 3.51Å; M149-F165 HydrophobicContact CE-CE2 3.99Å; M149-F165 PolarHBondContact N-O 3.4Å; M149-F165 PolarHBondContact O-N 2.84Å; F163-F165 HydrophobicContact CB-CD2 4.22Å; F163-F165 HydrophobicContact CB-CE2 3.51Å; F163-F165 HydrophobicContact CB-CZ 4Å; F163-F165 HydrophobicContact CD1-CZ 4.36Å; F163-F165 HydrophobicContact CG-CE2 4.27Å; F163-F165 HydrophobicContact CG-CZ 4.44Å; F165-H180 HydrophobicContact CD1-CB 4.25Å; F165-H180 HydrophobicContact CD2-CB 4.43Å; F165-H180 AromaticContact CD2-ND1 3.97Å; F165-H180 HydrophobicContact CE1-CB 3.95Å; F165-H180 HydrophobicContact CE2-CB 4.1Å; F165-H180 HydrophobicContact CG-CB 4.47Å; F165-H180 HydrophobicContact CZ-CB 3.86Å; F165-I181 WeakPolarHBondContact CE1-O 3.36Å; F165-Y182 HydrophobicContact CE2-CD1 4.11Å; F165-Y182 AromaticContact CE2-CE1 3.53Å; F165-Y182 HydrophobicContact CE2-CE1 3.53Å; F165-Y182 HydrophobicContact CE2-CE2 4.28Å; F165-Y182 AromaticContact CE2-CZ 3.62Å; F165-Y182 AromaticContact CZ-CD1 3.99Å; F165-Y182 HydrophobicContact CZ-CD1 3.99Å; F165-Y182 HydrophobicContact CZ-CD2 4.36Å; F165-Y182 AromaticContact CZ-CE1 3.86Å; F165-Y182 HydrophobicContact CZ-CE1 3.86Å; F165-Y182 HydrophobicContact CZ-CE2 4.24Å; F165-Y182 HydrophobicContact CZ-CG 4.23Å; F165-Y182 AromaticContact CZ-CZ 3.98Å |
| 166 | E | 93.4 | Very high | 93 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.4 | 174.7 | -175.3 | 177.2 | 178.5 | 0 | 0 | 109.8 | L4 R7 F147 | L4-E166 WeakPolarHBondContact CD1-O 3.46Å; L4-E166 WeakPolarHBondContact CD2-O 3.35Å; R7-E166 IonicContact CZ-OE2 3.92Å; R7-E166 IonicContact NE-OE2 2.65Å; R7-E166 IonicContact NH1-OE2 3.21Å; R7-E166 PolarHBondContact NH1-OE2 2.87Å; R7-E166 IonicContact NH2-OE2 3.45Å; R7-E166 PolarHBondContact NH2-OE2 2.85Å; F147-E166 CarbonylContact O-C 3.52Å |
| 167 | F | 91.7 | Very high | 93 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -34.3 | 174.2 | -56.3 | -106.6 | 0 | 0 | 0 | 111.4 | M2 L4 F137 F147 M149 C178 H180 | M2-F167 WeakPolarHBondContact CE-O 3.3Å; L4-F167 HydrophobicContact CD1-CB 4.27Å; L4-F167 HydrophobicContact CD1-CD1 3.96Å; L4-F167 HydrophobicContact CD1-CD2 4.31Å; L4-F167 HydrophobicContact CD1-CE1 4.45Å; L4-F167 HydrophobicContact CD1-CG 3.89Å; F137-F167 AromaticContact CE1-CD1 3.96Å; F137-F167 HydrophobicContact CE1-CD1 3.96Å; F137-F167 AromaticContact CE1-CE1 3.93Å; F137-F167 HydrophobicContact CE1-CE1 3.93Å; F137-F167 HydrophobicContact CZ-CD1 4.02Å; F137-F167 HydrophobicContact CZ-CE1 4.36Å; F147-F167 HydrophobicContact CB-CB 4Å; F147-F167 HydrophobicContact CB-CD2 4.42Å; F147-F167 HydrophobicContact CD1-CB 3.7Å; F147-F167 AromaticContact CD1-CD1 3.98Å; F147-F167 HydrophobicContact CD1-CD1 3.98Å; F147-F167 AromaticContact CD1-CD2 3.47Å; F147-F167 HydrophobicContact CD1-CD2 3.47Å; F147-F167 VanDerWaalsContact CD1-CD2 3.47Å; F147-F167 HydrophobicContact CD1-CE1 4.42Å; F147-F167 AromaticContact CD1-CE2 3.98Å; F147-F167 HydrophobicContact CD1-CE2 3.98Å; F147-F167 AromaticContact CD1-CG 3.47Å; F147-F167 HydrophobicContact CD1-CG 3.47Å; F147-F167 VanDerWaalsContact CD1-CG 3.47Å; F147-F167 HydrophobicContact CD1-CZ 4.41Å; F147-F167 HydrophobicContact CE1-CD1 4.14Å; F147-F167 AromaticContact CE1-CD2 3.83Å; F147-F167 HydrophobicContact CE1-CD2 3.83Å; F147-F167 HydrophobicContact CE1-CE1 4.13Å; F147-F167 AromaticContact CE1-CE2 3.83Å; F147-F167 HydrophobicContact CE1-CE2 3.83Å; F147-F167 AromaticContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE1-CG 3.99Å; F147-F167 AromaticContact CE1-CZ 3.97Å; F147-F167 HydrophobicContact CE1-CZ 3.97Å; F147-F167 HydrophobicContact CG-CB 4.19Å; F147-F167 AromaticContact CG-CD2 3.91Å; F147-F167 HydrophobicContact CG-CD2 3.91Å; F147-F167 HydrophobicContact CG-CG 4.2Å; F147-F167 HydrophobicContact CZ-CE2 4.31Å; F147-F167 WeakPolarHBondContact O-CA 3.36Å; F147-F167 WeakPolarHBondContact O-CB 3.37Å; F147-F167 PolarHBondContact O-N 2.62Å; M149-F167 HydrophobicContact CB-CE2 3.75Å; M149-F167 HydrophobicContact CB-CZ 4.42Å; F167-C178 HydrophobicContact CD1-CB 3.91Å; F167-C178 HydrophobicContact CE1-CB 3.87Å; F167-H180 AromaticContact CE1-CE1 3.81Å; F167-H180 AromaticContact CE1-NE2 3.27Å; F167-H180 VanDerWaalsContact CE1-NE2 3.27Å; F167-H180 WeakPolarHBondContact CE1-NE2 3.42Å; F167-H180 AromaticContact CZ-CE1 3.38Å; F167-H180 WeakPolarHBondContact CZ-CE1 3.47Å; F167-H180 AromaticContact CZ-NE2 3.24Å; F167-H180 WeakPolarHBondContact CZ-NE2 3.38Å |
| 168 | G | 89.3 | Confident | 93.2 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | -131.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R146 F147 | R146-G168 PolarHBondContact N-O 3.07Å; R146-G168 VanDerWaalsContact N-O 3.17Å; F147-G168 PolarHBondContact N-O 3.39Å; F147-G168 PolarHBondContact O-N 3.17Å; F147-G168 VanDerWaalsContact O-N 3.13Å |
| 169 | F | 91.9 | Very high | 93.2 | Very high | 121 Ų | 121 | 44.7 Ų | 44.7 | 53% | 0.531 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.5 | -177.8 | 178 | -106.4 | 0 | 0 | 0 | 111.1 | P143 V144 N145 I171 | P143-F169 HydrophobicContact CB-CE2 4.05Å; V144-F169 WeakPolarHBondContact O-CA 3.44Å; V144-F169 VanDerWaalsContact O-CD2 3.31Å; V144-F169 WeakPolarHBondContact O-CD2 3.11Å; N145-F169 VanDerWaalsContact OD1-CD2 3.23Å; N145-F169 WeakPolarHBondContact OD1-CD2 3.27Å; F169-I171 HydrophobicContact CD1-CG1 4.48Å; F169-I171 HydrophobicContact CE1-CG1 3.98Å |
| 170 | C | 93 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.2 | 171.3 | -48.3 | 0 | 0 | 0 | 0 | 110.3 | F137 V139 V144 | F137-C170 HydrophobicContact CE2-CB 4.38Å; V139-C170 HydrophobicContact CG2-CB 3.86Å; V144-C170 HydrophobicContact CB-CB 4.05Å; V144-C170 PolarHBondContact N-O 3.3Å; V144-C170 PolarHBondContact O-N 2.95Å |
| 171 | I | 91.6 | Very high | 93 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | trans | -72.7 | 132.8 | -175.2 | -60.6 | 167.7 | 0 | 0 | 0 | 108.7 | F169 S174 | F169-I171 HydrophobicContact CD1-CG1 4.48Å; F169-I171 HydrophobicContact CE1-CG1 3.98Å; I171-S174 WeakPolarHBondContact O-CB 3.35Å; I171-S174 PolarHBondContact O-OG 3.43Å | ||
| 172 | P | 94.8 | Very high | 93 | Very high | 38 Ų | 38 | 40 Ų | 40 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 151.5 | 172.8 | -9.4 | 15.6 | 0 | 0 | 0 | 112.4 | G140 D141 P143 S174 | G140-P172 CarbonylContact O-C 3.56Å; G140-P172 WeakPolarHBondContact O-CA 3.25Å; D141-P172 WeakPolarHBondContact O-CB 3.32Å; P143-P172 HydrophobicContact CB-CG 4Å; P172-S174 VanDerWaalsContact C-N 3.26Å; P172-S174 PolarHBondContact O-N 2.93Å |
| 173 | N | 94.1 | Very high | 92.8 | Very high | 127 Ų | 127 | 42.6 Ų | 42.6 | 68% | 0.679 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 44.7 | 178.8 | -56.9 | -64.3 | 0 | 0 | 0 | 112.4 | V139 G140 | V139-N173 WeakPolarHBondContact O-CA 3.46Å; V139-N173 PolarHBondContact O-N 3.06Å; V139-N173 VanDerWaalsContact O-N 3.14Å; G140-N173 PolarHBondContact O-N 2.94Å |
| 174 | S | 93.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.9 | -175.3 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | T138 V139 I171 P172 N176 | T138-S174 CarbonylContact C-O 3.57Å; T138-S174 WeakPolarHBondContact CA-O 3.39Å; V139-S174 PolarHBondContact N-O 3.4Å; V139-S174 PolarHBondContact O-N 3.36Å; I171-S174 WeakPolarHBondContact O-CB 3.35Å; I171-S174 PolarHBondContact O-OG 3.43Å; P172-S174 VanDerWaalsContact C-N 3.26Å; P172-S174 PolarHBondContact O-N 2.93Å; S174-N176 PolarHBondContact O-ND2 3.48Å; S174-N176 PolarHBondContact OG-ND2 2.94Å |
| 175 | R | 93.7 | Very high | 92.3 | Very high | 159 Ų | 159 | 45.8 Ų | 45.8 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.3 | 164.8 | -174.9 | 175.6 | 179.9 | 146 | -5.4 | 109 | E136 F137 | E136-R175 IonicContact OE2-CZ 3.52Å; E136-R175 IonicContact OE2-NE 3.35Å; E136-R175 PolarHBondContact OE2-NE 2.87Å; E136-R175 IonicContact OE2-NH2 3.62Å; E136-R175 PolarHBondContact OE2-NH2 3.11Å; F137-R175 CarbonylContact O-C 3.54Å; F137-R175 WeakPolarHBondContact O-CA 3.25Å |
| 176 | N | 92.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 53 Ų | 53 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.1 | -177.6 | -65.1 | -87.5 | 0 | 0 | 0 | 109.3 | E136 F137 S174 | E136-N176 WeakPolarHBondContact CA-O 3.38Å; F137-N176 HydrophobicContact CD1-CB 4.23Å; F137-N176 HydrophobicContact CD2-CB 4.08Å; F137-N176 HydrophobicContact CE1-CB 3.78Å; F137-N176 HydrophobicContact CE2-CB 3.62Å; F137-N176 HydrophobicContact CG-CB 4.38Å; F137-N176 HydrophobicContact CZ-CB 3.45Å; F137-N176 VanDerWaalsContact CZ-CB 3.45Å; F137-N176 PolarHBondContact N-O 3.24Å; F137-N176 PolarHBondContact O-N 2.68Å; S174-N176 PolarHBondContact O-ND2 3.48Å; S174-N176 PolarHBondContact OG-ND2 2.94Å |
| 177 | T | 92.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124 | 175.3 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | M1 M2 T134 V135 E136 | M1-T177 WeakPolarHBondContact CA-O 3.22Å; M1-T177 HydrophobicContact CE-CG2 4.18Å; M1-T177 HydrophobicContact CG-CG2 4.14Å; M1-T177 HydrophobicContact SD-CG2 4.4Å; M2-T177 PolarHBondContact N-O 3.33Å; T134-T177 HydrophobicContact CG2-CG2 3.9Å; V135-T177 WeakPolarHBondContact O-CA 3.42Å; E136-T177 HydrophobicContact CG-CG2 3.98Å |
| 178 | C | 90.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.6 | -179 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | M2 L4 T134 V135 F137 F167 H180 | M2-C178 CarbonylContact O-C 3.58Å; M2-C178 WeakPolarHBondContact O-CA 3.15Å; L4-C178 WeakPolarHBondContact CD1-SG 3.16Å; L4-C178 WeakPolarHBondContact CG-SG 3.42Å; T134-C178 CarbonylContact C-O 3.53Å; T134-C178 WeakPolarHBondContact CA-O 3.43Å; V135-C178 PolarHBondContact N-O 2.87Å; V135-C178 PolarHBondContact O-N 2.78Å; F137-C178 HydrophobicContact CE1-CB 4.3Å; F167-C178 HydrophobicContact CD1-CB 3.91Å; F167-C178 HydrophobicContact CE1-CB 3.87Å; C178-H180 VanDerWaalsContact SG-CD2 3.53Å |
| 179 | E | 92.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.2 | 169.8 | -166.9 | 173.8 | 71.4 | 0 | 0 | 109.3 | M1 M2 R3 L4 T132 A133 | M1-E179 HydrophobicContact CE-CB 3.65Å; M1-E179 HydrophobicContact CE-CG 4.13Å; M2-E179 PolarHBondContact O-N 3.02Å; R3-E179 CarbonylContact C-O 3.47Å; R3-E179 WeakPolarHBondContact CA-O 3.3Å; R3-E179 WeakPolarHBondContact CD-OE1 3.4Å; R3-E179 HydrophobicContact CG-CB 4.15Å; R3-E179 WeakPolarHBondContact CG-OE1 3.44Å; R3-E179 IonicContact CZ-OE1 3.47Å; R3-E179 IonicContact NE-OE1 2.72Å; R3-E179 PolarHBondContact NE-OE1 2.79Å; R3-E179 IonicContact NH2-OE1 3.46Å; R3-E179 PolarHBondContact NH2-OE1 2.86Å; L4-E179 PolarHBondContact N-O 3.02Å; T132-E179 HydrophobicContact CG2-CG 4.38Å; A133-E179 CarbonylContact O-C 3.59Å; A133-E179 WeakPolarHBondContact O-CA 3.46Å |
| 180 | H | 91.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.6 | 171.1 | -61 | 165.6 | 0 | 0 | 0 | 109.2 | T132 A133 F165 F167 C178 Y182 | T132-H180 CarbonylContact C-O 3.5Å; T132-H180 VanDerWaalsContact CA-O 3.3Å; T132-H180 WeakPolarHBondContact CA-O 3.34Å; A133-H180 HydrophobicContact CB-CB 4.44Å; A133-H180 PolarHBondContact N-O 2.87Å; A133-H180 PolarHBondContact O-N 2.89Å; F165-H180 HydrophobicContact CD1-CB 4.25Å; F165-H180 HydrophobicContact CD2-CB 4.43Å; F165-H180 AromaticContact CD2-ND1 3.97Å; F165-H180 HydrophobicContact CE1-CB 3.95Å; F165-H180 HydrophobicContact CE2-CB 4.1Å; F165-H180 HydrophobicContact CG-CB 4.47Å; F165-H180 HydrophobicContact CZ-CB 3.86Å; F167-H180 AromaticContact CE1-CE1 3.81Å; F167-H180 AromaticContact CE1-NE2 3.27Å; F167-H180 VanDerWaalsContact CE1-NE2 3.27Å; F167-H180 WeakPolarHBondContact CE1-NE2 3.42Å; F167-H180 AromaticContact CZ-CE1 3.38Å; F167-H180 WeakPolarHBondContact CZ-CE1 3.47Å; F167-H180 AromaticContact CZ-NE2 3.24Å; F167-H180 WeakPolarHBondContact CZ-NE2 3.38Å; C178-H180 VanDerWaalsContact SG-CD2 3.53Å; H180-Y182 HydrophobicContact CB-CD2 4.12Å; H180-Y182 HydrophobicContact CB-CE2 3.49Å; H180-Y182 VanDerWaalsContact CB-CE2 3.49Å |
| 181 | I | 92.4 | Very high | 93 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.2 | 172.1 | -55 | 176.9 | 0 | 0 | 0 | 107.8 | L4 K5 T132 F165 | L4-I181 PolarHBondContact O-N 2.86Å; K5-I181 HydrophobicContact CG-CD1 4.47Å; T132-I181 HydrophobicContact CG2-CG1 4.24Å; F165-I181 WeakPolarHBondContact CE1-O 3.36Å |
| 182 | Y | 92.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.4 | 177 | -66.5 | -99 | 0 | 0 | 0 | 109.8 | H130 V131 A133 E151 F163 F165 H180 | H130-Y182 WeakPolarHBondContact CA-O 3.4Å; V131-Y182 HydrophobicContact CG2-CD2 4.14Å; V131-Y182 HydrophobicContact CG2-CG 4.16Å; V131-Y182 PolarHBondContact N-O 3.21Å; V131-Y182 VanDerWaalsContact N-O 3.11Å; V131-Y182 PolarHBondContact O-N 2.84Å; A133-Y182 HydrophobicContact CB-CD2 4.27Å; A133-Y182 HydrophobicContact CB-CE2 3.58Å; E151-Y182 WeakPolarHBondContact OE1-CE1 3.33Å; F163-Y182 HydrophobicContact CB-CD1 4.38Å; F163-Y182 HydrophobicContact CB-CE1 4.2Å; F163-Y182 AromaticContact CD1-CD1 3.71Å; F163-Y182 HydrophobicContact CD1-CD1 3.71Å; F163-Y182 HydrophobicContact CD1-CE1 4.37Å; F163-Y182 AromaticContact CD2-CD1 3.62Å; F163-Y182 HydrophobicContact CD2-CD1 3.62Å; F163-Y182 AromaticContact CD2-CE1 3.8Å; F163-Y182 HydrophobicContact CD2-CE1 3.8Å; F163-Y182 AromaticContact CE1-CD1 3.76Å; F163-Y182 HydrophobicContact CE1-CD1 3.76Å; F163-Y182 HydrophobicContact CE1-CG 4.4Å; F163-Y182 AromaticContact CE2-CD1 3.67Å; F163-Y182 HydrophobicContact CE2-CD1 3.67Å; F163-Y182 HydrophobicContact CE2-CE1 4.22Å; F163-Y182 AromaticContact CG-CD1 3.64Å; F163-Y182 HydrophobicContact CG-CD1 3.64Å; F163-Y182 AromaticContact CG-CE1 3.87Å; F163-Y182 HydrophobicContact CG-CE1 3.87Å; F163-Y182 AromaticContact CZ-CD1 3.73Å; F163-Y182 HydrophobicContact CZ-CD1 3.73Å; F165-Y182 HydrophobicContact CE2-CD1 4.11Å; F165-Y182 AromaticContact CE2-CE1 3.53Å; F165-Y182 HydrophobicContact CE2-CE1 3.53Å; F165-Y182 HydrophobicContact CE2-CE2 4.28Å; F165-Y182 AromaticContact CE2-CZ 3.62Å; F165-Y182 AromaticContact CZ-CD1 3.99Å; F165-Y182 HydrophobicContact CZ-CD1 3.99Å; F165-Y182 HydrophobicContact CZ-CD2 4.36Å; F165-Y182 AromaticContact CZ-CE1 3.86Å; F165-Y182 HydrophobicContact CZ-CE1 3.86Å; F165-Y182 HydrophobicContact CZ-CE2 4.24Å; F165-Y182 HydrophobicContact CZ-CG 4.23Å; F165-Y182 AromaticContact CZ-CZ 3.98Å; H180-Y182 HydrophobicContact CB-CD2 4.12Å; H180-Y182 HydrophobicContact CB-CE2 3.49Å; H180-Y182 VanDerWaalsContact CB-CE2 3.49Å |
| 183 | D | 92.2 | Very high | 93.3 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 107.4 | 170.3 | -63.4 | -44.4 | 0 | 0 | 0 | 109 | H130 F163 | H130-D183 IonicContact CE1-OD1 2.75Å; H130-D183 PolarHBondContact CE1-OD1 2.81Å; H130-D183 IonicContact CG-OD1 2.85Å; H130-D183 IonicContact ND1-OD1 2.58Å; H130-D183 PolarHBondContact ND1-OD1 2.74Å; F163-D183 WeakPolarHBondContact CE1-O 3.36Å |
| 184 | F | 91.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | trans | -72.4 | 139.5 | -175.9 | -80.2 | 11.9 | 0 | 0 | 0 | 111.3 | F125 L128 K129 V131 F163 | F125-F184 AromaticContact CD1-CE2 3.92Å; F125-F184 HydrophobicContact CD1-CE2 3.92Å; F125-F184 HydrophobicContact CD1-CZ 4.37Å; F125-F184 AromaticContact CE1-CE2 3.5Å; F125-F184 HydrophobicContact CE1-CE2 3.5Å; F125-F184 AromaticContact CE1-CZ 3.5Å; F125-F184 HydrophobicContact CE1-CZ 3.5Å; F125-F184 AromaticContact CZ-CE2 3.94Å; F125-F184 HydrophobicContact CZ-CE2 3.94Å; F125-F184 AromaticContact CZ-CZ 3.62Å; F125-F184 HydrophobicContact CZ-CZ 3.62Å; L128-F184 HydrophobicContact CB-CD2 4.15Å; L128-F184 HydrophobicContact CB-CE2 4.28Å; L128-F184 WeakPolarHBondContact O-CB 3.5Å; K129-F184 PolarHBondContact O-N 2.9Å; V131-F184 HydrophobicContact CB-CZ 4.38Å; V131-F184 HydrophobicContact CG1-CE1 4.39Å; V131-F184 HydrophobicContact CG1-CE2 4.12Å; V131-F184 HydrophobicContact CG1-CZ 3.89Å; V131-F184 HydrophobicContact CG2-CD1 4.29Å; V131-F184 HydrophobicContact CG2-CE1 3.4Å; V131-F184 HydrophobicContact CG2-CE2 4.5Å; V131-F184 HydrophobicContact CG2-CZ 3.52Å; F163-F184 HydrophobicContact CZ-CD1 4.43Å | ||
| 185 | P | 89.5 | Confident | 93.7 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 29% | 0.286 | 26% | 0.263 | S | S | . | . | trans | -65 | 146.3 | 170.3 | 31 | -35.4 | 0 | 0 | 0 | 109.8 | K161 L187 | K161-P185 HydrophobicContact CB-CG 4.21Å; P185-L187 HydrophobicContact CB-CD2 4.36Å; P185-L187 HydrophobicContact CG-CD2 3.89Å; P185-L187 HydrophobicContact CG-CG 4.4Å; P185-L187 PolarHBondContact O-N 3.37Å | ||
| 186 | Q | 90.3 | Very high | 93.8 | Very high | 150 Ų | 150 | 47.2 Ų | 47.2 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | trans | -73.8 | 111 | 167.2 | -64.5 | -62.4 | -54.5 | 0 | 0 | 108.2 | ||||
| 187 | L | 93.5 | Very high | 94.1 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | trans | -89.5 | 138.5 | -179.6 | -59.9 | 176.3 | 0 | 0 | 0 | 110.2 | L126 L160 P185 L191 I192 M195 | L126-L187 HydrophobicContact CD2-CD1 4.19Å; L160-L187 HydrophobicContact CD2-CD2 4.33Å; P185-L187 HydrophobicContact CB-CD2 4.36Å; P185-L187 HydrophobicContact CG-CD2 3.89Å; P185-L187 HydrophobicContact CG-CG 4.4Å; P185-L187 PolarHBondContact O-N 3.37Å; L187-L191 HydrophobicContact CD2-CD2 4Å; L187-I192 HydrophobicContact CB-CD1 4.2Å; L187-I192 HydrophobicContact CB-CG1 3.83Å; L187-M195 HydrophobicContact CD1-CE 4.3Å; L187-M195 HydrophobicContact CD1-SD 3.93Å | ||
| 188 | P | 95 | Very high | 94.3 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | trans | -57.1 | 146.7 | 168.3 | -27 | 37.6 | 0 | 0 | 0 | 112.2 | D190 L191 I192 | P188-D190 VanDerWaalsContact C-N 3.34Å; P188-D190 WeakPolarHBondContact CB-OD1 3.43Å; P188-D190 PolarHBondContact O-N 3.25Å; P188-L191 HydrophobicContact CB-CB 4.34Å; P188-L191 WeakPolarHBondContact O-CB 3.28Å; P188-L191 PolarHBondContact O-N 2.61Å; P188-L191 VanDerWaalsContact O-N 3.13Å; P188-I192 WeakPolarHBondContact O-CG1 3.5Å; P188-I192 PolarHBondContact O-N 3.43Å | ||
| 189 | E | 95.1 | Very high | 94.5 | Very high | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | -175.6 | -168.4 | 60.8 | -142.4 | 0 | 0 | 112.9 | R127 L191 I192 E193 | R127-E189 IonicContact CZ-OE1 3.42Å; R127-E189 IonicContact CZ-OE2 3.6Å; R127-E189 IonicContact NH1-OE1 3.95Å; R127-E189 PolarHBondContact NH1-OE1 2.91Å; R127-E189 IonicContact NH1-OE2 3.34Å; R127-E189 PolarHBondContact NH1-OE2 2.86Å; R127-E189 IonicContact NH2-OE1 2.64Å; R127-E189 PolarHBondContact NH2-OE1 2.84Å; R127-E189 IonicContact NH2-OE2 3.58Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.65Å; E189-I192 WeakPolarHBondContact O-CB 3.22Å; E189-I192 PolarHBondContact O-N 3.35Å; E189-E193 WeakPolarHBondContact O-CG 3.46Å; E189-E193 PolarHBondContact O-N 3.5Å |
| 190 | D | 96.7 | Very high | 94.6 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 174.4 | 58.5 | -35.4 | 0 | 0 | 0 | 112 | P188 E194 | P188-D190 VanDerWaalsContact C-N 3.34Å; P188-D190 WeakPolarHBondContact CB-OD1 3.43Å; P188-D190 PolarHBondContact O-N 3.25Å; D190-E194 WeakPolarHBondContact O-CB 3.48Å; D190-E194 PolarHBondContact O-N 3.13Å |
| 191 | L | 96.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 174.8 | 179.8 | 60.2 | 0 | 0 | 0 | 111.9 | F155 L160 L187 P188 E189 E194 M195 | F155-L191 HydrophobicContact CD1-CD1 3.51Å; F155-L191 HydrophobicContact CE1-CD1 3.74Å; F155-L191 HydrophobicContact CG-CD1 4.49Å; L160-L191 HydrophobicContact CD2-CD2 3.99Å; L187-L191 HydrophobicContact CD2-CD2 4Å; P188-L191 HydrophobicContact CB-CB 4.34Å; P188-L191 WeakPolarHBondContact O-CB 3.28Å; P188-L191 PolarHBondContact O-N 2.61Å; P188-L191 VanDerWaalsContact O-N 3.13Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.65Å; L191-E194 PolarHBondContact O-N 3.04Å; L191-M195 HydrophobicContact CD1-CG 4.21Å; L191-M195 HydrophobicContact CD1-SD 4.23Å; L191-M195 HydrophobicContact CG-CG 4.46Å; L191-M195 HydrophobicContact CG-SD 3.98Å; L191-M195 WeakPolarHBondContact O-CB 3.34Å; L191-M195 VanDerWaalsContact O-CG 3.26Å; L191-M195 WeakPolarHBondContact O-CG 3.33Å; L191-M195 PolarHBondContact O-N 3.06Å |
| 192 | I | 96.6 | Very high | 95 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.8 | -69.7 | 173.8 | 0 | 0 | 0 | 110.1 | L126 L187 P188 E189 E194 M195 I196 | L126-I192 HydrophobicContact CB-CG1 4.29Å; L126-I192 HydrophobicContact CB-CG2 4.21Å; L126-I192 HydrophobicContact CD1-CB 4.45Å; L126-I192 HydrophobicContact CD1-CG2 3.91Å; L187-I192 HydrophobicContact CB-CD1 4.2Å; L187-I192 HydrophobicContact CB-CG1 3.83Å; P188-I192 WeakPolarHBondContact O-CG1 3.5Å; P188-I192 PolarHBondContact O-N 3.43Å; E189-I192 WeakPolarHBondContact O-CB 3.22Å; E189-I192 PolarHBondContact O-N 3.35Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.24Å; I192-M195 PolarHBondContact O-N 3.48Å; I192-I196 HydrophobicContact CG2-CD1 3.74Å; I192-I196 WeakPolarHBondContact O-CD1 3.27Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.25Å; I192-I196 PolarHBondContact O-N 3.31Å |
| 193 | E | 97 | Very high | 95.1 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 176.1 | -72.1 | -179 | -178.5 | 0 | 0 | 111.7 | E189 I196 N197 | E189-E193 WeakPolarHBondContact O-CG 3.46Å; E189-E193 PolarHBondContact O-N 3.5Å; E193-I196 PolarHBondContact O-N 2.97Å; E193-N197 WeakPolarHBondContact O-CB 3.48Å; E193-N197 PolarHBondContact O-N 3.5Å; E193-N197 PolarHBondContact O-ND2 2.85Å |
| 194 | E | 97.5 | Very high | 95.3 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 177.7 | -154.5 | -170.2 | 160.2 | 0 | 0 | 111.8 | F155 K156 D190 L191 I192 I196 N197 C198 | F155-E194 HydrophobicContact CE1-CB 4Å; F155-E194 VanDerWaalsContact CE1-CD 3.44Å; F155-E194 HydrophobicContact CE1-CG 3.85Å; F155-E194 HydrophobicContact CZ-CB 3.99Å; F155-E194 HydrophobicContact CZ-CG 3.73Å; K156-E194 IonicContact NZ-OE1 2.69Å; K156-E194 PolarHBondContact NZ-OE1 2.89Å; D190-E194 WeakPolarHBondContact O-CB 3.48Å; D190-E194 PolarHBondContact O-N 3.13Å; L191-E194 PolarHBondContact O-N 3.04Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.24Å; E194-I196 VanDerWaalsContact C-N 3.33Å; E194-I196 PolarHBondContact O-N 3.35Å; E194-N197 PolarHBondContact O-N 2.85Å; E194-C198 VanDerWaalsContact O-CB 3.24Å; E194-C198 WeakPolarHBondContact O-CB 3.01Å; E194-C198 PolarHBondContact O-N 3.31Å |
| 195 | M | 97.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -36 | 178.5 | -71.7 | 171.7 | 69.1 | 0 | 0 | 112.5 | L126 F155 L160 L187 L191 I192 T202 Y224 | L126-M195 HydrophobicContact CD1-CB 3.98Å; L126-M195 HydrophobicContact CD2-CE 3.47Å; L126-M195 VanDerWaalsContact CD2-CE 3.47Å; L126-M195 HydrophobicContact CD2-SD 4.31Å; F155-M195 HydrophobicContact CB-CG 4.46Å; F155-M195 HydrophobicContact CD1-CG 3.96Å; F155-M195 HydrophobicContact CD2-CG 3.72Å; F155-M195 HydrophobicContact CE1-CG 4.02Å; F155-M195 HydrophobicContact CE2-CB 4.3Å; F155-M195 HydrophobicContact CE2-CG 3.77Å; F155-M195 HydrophobicContact CG-CG 3.79Å; F155-M195 HydrophobicContact CZ-CG 3.92Å; L160-M195 HydrophobicContact CD1-CE 3.69Å; L160-M195 HydrophobicContact CD1-SD 4.2Å; L187-M195 HydrophobicContact CD1-CE 4.3Å; L187-M195 HydrophobicContact CD1-SD 3.93Å; L191-M195 HydrophobicContact CD1-CG 4.21Å; L191-M195 HydrophobicContact CD1-SD 4.23Å; L191-M195 HydrophobicContact CG-CG 4.46Å; L191-M195 HydrophobicContact CG-SD 3.98Å; L191-M195 WeakPolarHBondContact O-CB 3.34Å; L191-M195 VanDerWaalsContact O-CG 3.26Å; L191-M195 WeakPolarHBondContact O-CG 3.33Å; L191-M195 PolarHBondContact O-N 3.06Å; I192-M195 PolarHBondContact O-N 3.48Å; M195-T202 HydrophobicContact CE-CG2 4.05Å; M195-T202 WeakPolarHBondContact CE-OG1 3.33Å; M195-Y224 HydrophobicContact CB-CD2 4.06Å; M195-Y224 HydrophobicContact CB-CE2 4.35Å; M195-Y224 HydrophobicContact CE-CD2 4.27Å; M195-Y224 HydrophobicContact CE-CE2 3.54Å |
| 196 | I | 97.2 | Very high | 95.9 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.4 | -66.3 | 160.2 | 0 | 0 | 0 | 110.9 | P123 L126 I192 E193 E194 C198 N225 | P123-I196 HydrophobicContact CB-CD1 3.74Å; P123-I196 HydrophobicContact CB-CG1 4.21Å; P123-I196 HydrophobicContact CG-CD1 4.29Å; P123-I196 HydrophobicContact CG-CG1 4.45Å; P123-I196 HydrophobicContact CG-CG2 4.45Å; L126-I196 HydrophobicContact CD1-CD1 4.46Å; L126-I196 HydrophobicContact CD1-CG1 3.96Å; I192-I196 HydrophobicContact CG2-CD1 3.74Å; I192-I196 WeakPolarHBondContact O-CD1 3.27Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.25Å; I192-I196 PolarHBondContact O-N 3.31Å; E193-I196 PolarHBondContact O-N 2.97Å; E194-I196 VanDerWaalsContact C-N 3.33Å; E194-I196 PolarHBondContact O-N 3.35Å; I196-C198 VanDerWaalsContact C-N 3.27Å; I196-C198 PolarHBondContact O-N 2.86Å; I196-N225 HydrophobicContact CG2-CB 4.34Å |
| 197 | N | 97.4 | Very high | 96.2 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -77.5 | -10.5 | -177.5 | -72.2 | -47.8 | 0 | 0 | 0 | 114 | E193 E194 P199 | E193-N197 WeakPolarHBondContact O-CB 3.48Å; E193-N197 PolarHBondContact O-N 3.5Å; E193-N197 PolarHBondContact O-ND2 2.85Å; E194-N197 PolarHBondContact O-N 2.85Å; N197-P199 WeakPolarHBondContact O-CD 3.24Å |
| 198 | C | 96.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -124.2 | 68.1 | -177 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | F155 K156 E194 I196 Y200 E201 | F155-C198 HydrophobicContact CE2-CB 3.96Å; F155-C198 HydrophobicContact CZ-CB 4.1Å; K156-C198 PolarHBondContact NZ-SG 3.25Å; E194-C198 VanDerWaalsContact O-CB 3.24Å; E194-C198 WeakPolarHBondContact O-CB 3.01Å; E194-C198 PolarHBondContact O-N 3.31Å; I196-C198 VanDerWaalsContact C-N 3.27Å; I196-C198 PolarHBondContact O-N 2.86Å; C198-Y200 PolarHBondContact O-N 3.26Å; C198-E201 HydrophobicContact CB-CB 3.98Å; C198-E201 HydrophobicContact CB-CG 3.94Å; C198-E201 WeakPolarHBondContact O-CB 3.21Å; C198-E201 PolarHBondContact O-N 3.15Å |
| 199 | P | 95.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 139.4 | 179.8 | 25.9 | -35 | 0 | 0 | 0 | 111.3 | N197 E201 A223 | N197-P199 WeakPolarHBondContact O-CD 3.24Å; P199-E201 PolarHBondContact O-N 3.19Å; P199-A223 HydrophobicContact CB-CB 3.62Å |
| 200 | Y | 94.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.2 | 178.5 | -41.7 | -56.5 | 0 | 0 | 0 | 116 | R118 Q120 C198 R203 D221 Y222 A223 | R118-Y200 VanDerWaalsContact CD-CE1 3.45Å; R118-Y200 HydrophobicContact CG-CD1 4Å; R118-Y200 HydrophobicContact CG-CE1 3.45Å; R118-Y200 VanDerWaalsContact CG-CE1 3.45Å; Q120-Y200 PolarHBondContact OE1-OH 3.15Å; C198-Y200 PolarHBondContact O-N 3.26Å; Y200-R203 PolarHBondContact O-NE 3.36Å; Y200-D221 HydrophobicContact CD1-CB 4.32Å; Y200-D221 WeakPolarHBondContact CD1-OD1 3.43Å; Y200-Y222 WeakPolarHBondContact CA-O 3.33Å; Y200-Y222 PolarHBondContact N-O 3Å; Y200-A223 HydrophobicContact CD1-CB 3.94Å; Y200-A223 HydrophobicContact CE1-CB 3.43Å; Y200-A223 VanDerWaalsContact CE1-CB 3.43Å |
| 201 | E | 95.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 39 Ų | 39 | 38% | 0.379 | 19% | 0.187 | S | C | . | . | trans | -84.2 | -15.3 | 166.8 | -70.7 | -82.3 | -160.7 | 0 | 0 | 112.1 | F155 K156 C198 P199 | F155-E201 HydrophobicContact CD2-CB 4.09Å; F155-E201 HydrophobicContact CE2-CB 3.78Å; K156-E201 HydrophobicContact CG-CB 4.08Å; K156-E201 HydrophobicContact CG-CG 4.49Å; K156-E201 PolarHBondContact N-O 3.44Å; K156-E201 VanDerWaalsContact N-O 3.13Å; C198-E201 HydrophobicContact CB-CB 3.98Å; C198-E201 HydrophobicContact CB-CG 3.94Å; C198-E201 WeakPolarHBondContact O-CB 3.21Å; C198-E201 PolarHBondContact O-N 3.15Å; P199-E201 PolarHBondContact O-N 3.19Å | ||
| 202 | T | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.8 | 162.3 | -56 | 0 | 0 | 0 | 0 | 108.9 | F154 F155 L160 M195 D221 Y222 Y224 | F154-T202 CarbonylContact O-C 3.55Å; F154-T202 VanDerWaalsContact O-CA 3.24Å; F154-T202 WeakPolarHBondContact O-CA 3.36Å; F154-T202 WeakPolarHBondContact O-CG2 3.35Å; F155-T202 VanDerWaalsContact CD2-OG1 3.25Å; F155-T202 WeakPolarHBondContact CD2-OG1 3.24Å; L160-T202 HydrophobicContact CD1-CG2 4.05Å; M195-T202 HydrophobicContact CE-CG2 4.05Å; M195-T202 WeakPolarHBondContact CE-OG1 3.33Å; T202-D221 WeakPolarHBondContact O-CA 3.01Å; T202-Y222 HydrophobicContact CG2-CD2 3.85Å; T202-Y222 HydrophobicContact CG2-CG 4.34Å; T202-Y222 WeakPolarHBondContact O-CD2 3.48Å; T202-Y222 PolarHBondContact O-N 3.33Å; T202-Y224 HydrophobicContact CG2-CE2 4.1Å; T202-Y224 WeakPolarHBondContact CG2-OH 3.41Å |
| 203 | R | 96.1 | Very high | 96.6 | Very high | 114 Ų | 114 | 47 Ų | 47 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.4 | -175.7 | -59.3 | -175.4 | -174.5 | 171.3 | 3.1 | 111.1 | I39 F154 Y200 A220 D221 | I39-R203 HydrophobicContact CD1-CB 3.84Å; I39-R203 HydrophobicContact CG1-CB 4Å; F154-R203 PolarHBondContact N-O 2.82Å; F154-R203 PolarHBondContact O-N 2.87Å; Y200-R203 PolarHBondContact O-NE 3.36Å; R203-A220 CarbonylContact C-O 3.51Å; R203-A220 VanDerWaalsContact CA-O 3.23Å; R203-A220 WeakPolarHBondContact CA-O 3.42Å; R203-D221 HydrophobicContact CG-CB 4.09Å |
| 204 | S | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.4 | 173.6 | 66.6 | 0 | 0 | 0 | 0 | 113 | I39 R152 K219 A220 Y222 | I39-S204 VanDerWaalsContact CD1-C 3.42Å; R152-S204 CarbonylContact O-C 3.44Å; R152-S204 WeakPolarHBondContact O-CA 3.37Å; R152-S204 VanDerWaalsContact O-CB 3.29Å; R152-S204 WeakPolarHBondContact O-CB 3.3Å; S204-K219 WeakPolarHBondContact O-CA 3.48Å; S204-A220 PolarHBondContact N-O 3.42Å; S204-A220 PolarHBondContact O-N 3.46Å; S204-A220 VanDerWaalsContact O-N 3.08Å; S204-Y222 WeakPolarHBondContact CB-OH 3.34Å; S204-Y222 WeakPolarHBondContact OG-CE2 3.41Å; S204-Y222 PolarHBondContact OG-OH 2.88Å |
| 205 | D | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.9 | 164.6 | -72.1 | -34.4 | 0 | 0 | 0 | 108.6 | I39 T40 E151 R152 F207 H217 K219 | I39-D205 HydrophobicContact CD1-CB 4.24Å; I39-D205 VanDerWaalsContact CD1-CG 3.43Å; I39-D205 WeakPolarHBondContact CD1-OD1 3.38Å; I39-D205 WeakPolarHBondContact CD1-OD2 3.36Å; T40-D205 WeakPolarHBondContact CB-OD2 3.33Å; T40-D205 PolarHBondContact N-OD2 2.85Å; T40-D205 PolarHBondContact OG1-OD1 2.79Å; T40-D205 VanDerWaalsContact OG1-OD1 3.12Å; T40-D205 PolarHBondContact OG1-OD2 3.03Å; E151-D205 CarbonylContact C-O 3.52Å; E151-D205 WeakPolarHBondContact CA-O 3.37Å; R152-D205 PolarHBondContact N-O 2.87Å; R152-D205 PolarHBondContact O-N 2.82Å; D205-F207 HydrophobicContact CB-CD2 4.35Å; D205-F207 HydrophobicContact CB-CE1 3.83Å; D205-F207 HydrophobicContact CB-CE2 3.53Å; D205-F207 HydrophobicContact CB-CZ 3.24Å; D205-H217 IonicContact OD1-CE1 3.47Å; D205-H217 IonicContact OD1-NE2 3.94Å; D205-H217 PolarHBondContact OD1-NE2 3.26Å; D205-H217 VanDerWaalsContact OD1-NE2 3.09Å; D205-K219 WeakPolarHBondContact OD1-CG 3.28Å; D205-K219 IonicContact OD1-NZ 2.8Å; D205-K219 PolarHBondContact OD1-NZ 3.26Å; D205-K219 IonicContact OD2-NZ 2.67Å |
| 206 | S | 96.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 109.2 | 173.4 | -46.9 | 0 | 0 | 0 | 0 | 108.8 | E151 H217 N218 | E151-S206 WeakPolarHBondContact CG-OG 3.24Å; E151-S206 PolarHBondContact OE2-OG 3.01Å; S206-H217 WeakPolarHBondContact O-CA 3.49Å; S206-N218 PolarHBondContact N-O 2.89Å; S206-N218 PolarHBondContact O-N 2.8Å |
| 207 | F | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126 | -178.4 | -51.9 | -72.6 | 0 | 0 | 0 | 110.2 | V33 L36 T40 L56 M149 I150 R152 D205 F209 L214 H217 | V33-F207 HydrophobicContact CB-CD2 3.79Å; V33-F207 HydrophobicContact CB-CE2 3.92Å; V33-F207 HydrophobicContact CB-CG 4.18Å; V33-F207 HydrophobicContact CB-CZ 4.4Å; V33-F207 HydrophobicContact CG1-CB 4.48Å; V33-F207 HydrophobicContact CG1-CD1 4.03Å; V33-F207 HydrophobicContact CG1-CD2 4.04Å; V33-F207 HydrophobicContact CG1-CE1 4.23Å; V33-F207 HydrophobicContact CG1-CE2 4.23Å; V33-F207 HydrophobicContact CG1-CG 3.92Å; V33-F207 HydrophobicContact CG1-CZ 4.31Å; V33-F207 HydrophobicContact CG2-CB 4.44Å; V33-F207 HydrophobicContact CG2-CD2 3.94Å; V33-F207 HydrophobicContact CG2-CG 4.29Å; L36-F207 HydrophobicContact CD1-CE2 4.17Å; L36-F207 HydrophobicContact CD1-CZ 3.69Å; T40-F207 HydrophobicContact CG2-CZ 4.4Å; L56-F207 HydrophobicContact CD1-CD1 4.17Å; L56-F207 HydrophobicContact CD1-CE1 3.57Å; L56-F207 HydrophobicContact CD1-CZ 4.37Å; L56-F207 HydrophobicContact CG-CE1 4.4Å; M149-F207 CarbonylContact C-O 3.58Å; M149-F207 VanDerWaalsContact CA-O 3.28Å; M149-F207 WeakPolarHBondContact CA-O 3.27Å; I150-F207 PolarHBondContact N-O 2.95Å; I150-F207 WeakPolarHBondContact O-CD2 3.45Å; I150-F207 PolarHBondContact O-N 3.24Å; R152-F207 HydrophobicContact CG-CE2 4.25Å; D205-F207 HydrophobicContact CB-CD2 4.35Å; D205-F207 HydrophobicContact CB-CE1 3.83Å; D205-F207 HydrophobicContact CB-CE2 3.53Å; D205-F207 HydrophobicContact CB-CZ 3.24Å; F207-F209 HydrophobicContact CB-CD2 4.44Å; F207-F209 HydrophobicContact CB-CE2 3.47Å; F207-F209 VanDerWaalsContact CB-CE2 3.47Å; F207-F209 HydrophobicContact CB-CZ 3.74Å; F207-L214 HydrophobicContact CB-CD1 3.83Å; F207-L214 HydrophobicContact CD1-CD1 4.23Å; F207-H217 HydrophobicContact CD1-CB 4.44Å; F207-H217 AromaticContact CD1-CD2 3.91Å; F207-H217 AromaticContact CD1-CG 3.99Å; F207-H217 AromaticContact CE1-CD2 3.82Å; F207-H217 AromaticContact CE1-CE1 3.86Å; F207-H217 AromaticContact CE1-NE2 3.73Å |
| 208 | Y | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 33 Ų | 33 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.4 | -178.8 | -60.2 | -93.5 | 0 | 0 | 0 | 110.8 | F68 F147 R148 M149 I215 M216 N218 | F68-Y208 HydrophobicContact CE1-CE1 4.3Å; F68-Y208 HydrophobicContact CE2-CD1 4.22Å; F68-Y208 AromaticContact CE2-CE1 3.71Å; F68-Y208 HydrophobicContact CE2-CE1 3.71Å; F68-Y208 HydrophobicContact CE2-CE2 4.23Å; F68-Y208 AromaticContact CE2-CZ 3.7Å; F68-Y208 AromaticContact CZ-CD1 3.84Å; F68-Y208 HydrophobicContact CZ-CD1 3.84Å; F68-Y208 AromaticContact CZ-CE1 3.3Å; F68-Y208 HydrophobicContact CZ-CE1 3.3Å; F68-Y208 AromaticContact CZ-CZ 3.75Å; F147-Y208 HydrophobicContact CE2-CD1 4.03Å; F147-Y208 HydrophobicContact CE2-CG 4.48Å; F147-Y208 AromaticContact CZ-CD1 3.79Å; F147-Y208 HydrophobicContact CZ-CD1 3.79Å; R148-Y208 CarbonylContact O-C 3.59Å; R148-Y208 WeakPolarHBondContact O-CA 3.48Å; M149-Y208 HydrophobicContact CB-CD1 3.87Å; M149-Y208 HydrophobicContact CB-CE1 3.91Å; M149-Y208 HydrophobicContact CG-CD1 3.87Å; M149-Y208 HydrophobicContact CG-CE1 3.58Å; M149-Y208 HydrophobicContact CG-CG 4.5Å; M149-Y208 HydrophobicContact SD-CD1 4.29Å; M149-Y208 HydrophobicContact SD-CE1 3.4Å; M149-Y208 WeakPolarHBondContact SD-CE1 3.39Å; M149-Y208 VanDerWaalsContact SD-CZ 3.59Å; M149-Y208 PolarHBondContact SD-OH 3.29Å; Y208-I215 WeakPolarHBondContact O-CG1 3.36Å; Y208-I215 PolarHBondContact O-N 2.62Å; Y208-M216 HydrophobicContact CD1-CE 4.25Å; Y208-M216 HydrophobicContact CD2-CB 3.83Å; Y208-M216 HydrophobicContact CD2-CE 4.35Å; Y208-M216 HydrophobicContact CG-CB 4.22Å; Y208-M216 HydrophobicContact CG-CE 3.94Å; Y208-M216 PolarHBondContact N-O 2.91Å; Y208-M216 PolarHBondContact O-N 2.61Å; Y208-N218 HydrophobicContact CE2-CB 4.28Å |
| 209 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.4 | -174.2 | -57.4 | -92.5 | 0 | 0 | 0 | 111.3 | P30 V33 F147 R148 I150 F207 Q213 L214 | P30-F209 HydrophobicContact CB-CE2 4.49Å; P30-F209 VanDerWaalsContact CD-CD1 3.48Å; P30-F209 HydrophobicContact CG-CB 4.12Å; P30-F209 HydrophobicContact CG-CD1 3.74Å; P30-F209 HydrophobicContact CG-CD2 3.94Å; P30-F209 HydrophobicContact CG-CE1 4.11Å; P30-F209 HydrophobicContact CG-CE2 4.27Å; P30-F209 HydrophobicContact CG-CG 3.66Å; P30-F209 HydrophobicContact CG-CZ 4.36Å; V33-F209 HydrophobicContact CB-CZ 4.4Å; V33-F209 HydrophobicContact CG1-CZ 3.92Å; V33-F209 HydrophobicContact CG2-CE2 3.94Å; V33-F209 HydrophobicContact CG2-CZ 3.56Å; F147-F209 WeakPolarHBondContact CA-O 3.27Å; F147-F209 WeakPolarHBondContact CD2-O 3.48Å; R148-F209 HydrophobicContact CB-CB 4.49Å; R148-F209 PolarHBondContact N-O 2.76Å; R148-F209 PolarHBondContact O-N 3.13Å; I150-F209 HydrophobicContact CB-CE2 4.31Å; I150-F209 HydrophobicContact CD1-CE2 4.24Å; I150-F209 HydrophobicContact CG1-CE2 4.32Å; F207-F209 HydrophobicContact CB-CD2 4.44Å; F207-F209 HydrophobicContact CB-CE2 3.47Å; F207-F209 VanDerWaalsContact CB-CE2 3.47Å; F207-F209 HydrophobicContact CB-CZ 3.74Å; F209-Q213 VanDerWaalsContact CA-O 3.22Å; F209-Q213 WeakPolarHBondContact CA-O 3.49Å; F209-L214 HydrophobicContact CD1-CB 4.09Å; F209-L214 HydrophobicContact CD1-CD1 4.43Å; F209-L214 HydrophobicContact CE1-CB 3.81Å; F209-L214 HydrophobicContact CE1-CD1 3.93Å; F209-L214 HydrophobicContact CE1-CG 4.49Å; F209-L214 HydrophobicContact CE2-CD1 4.46Å; F209-L214 HydrophobicContact CZ-CD1 3.94Å |
| 210 | V | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128 | 166.7 | 178.6 | 0 | 0 | 0 | 0 | 106.8 | Y64 I66 V144 N145 F147 E212 Q213 I215 | Y64-V210 HydrophobicContact CD2-CB 4.29Å; Y64-V210 HydrophobicContact CD2-CG1 4.31Å; Y64-V210 HydrophobicContact CD2-CG2 4.15Å; Y64-V210 HydrophobicContact CE1-CG1 3.97Å; Y64-V210 HydrophobicContact CE2-CB 3.78Å; Y64-V210 HydrophobicContact CE2-CG1 3.64Å; Y64-V210 HydrophobicContact CE2-CG2 4.16Å; Y64-V210 VanDerWaalsContact CZ-CG1 3.45Å; I66-V210 HydrophobicContact CD1-CG2 4.35Å; V144-V210 HydrophobicContact CG1-CB 4.43Å; V144-V210 HydrophobicContact CG1-CG1 3.89Å; V144-V210 HydrophobicContact CG1-CG2 3.62Å; N145-V210 WeakPolarHBondContact O-CG1 3.48Å; F147-V210 HydrophobicContact CD2-CG2 3.81Å; F147-V210 HydrophobicContact CE2-CG2 4.42Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 2.8Å; V210-Q213 PolarHBondContact N-O 3.2Å; V210-Q213 PolarHBondContact O-N 2.85Å; V210-I215 HydrophobicContact CB-CG2 4.26Å; V210-I215 HydrophobicContact CG2-CD1 3.5Å; V210-I215 HydrophobicContact CG2-CG1 3.95Å; V210-I215 HydrophobicContact CG2-CG2 4.41Å |
| 211 | E | 95.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 27.6 Ų | 27.6 | 40% | 0.397 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 47.1 | -175.8 | -64.9 | -73.3 | -170.8 | 0 | 0 | 113.5 | N145 R146 Q213 | N145-E211 HydrophobicContact CB-CG 4.12Å; N145-E211 WeakPolarHBondContact CB-OE1 3.29Å; N145-E211 PolarHBondContact O-N 3.31Å; R146-E211 WeakPolarHBondContact CD-OE2 3.35Å; R146-E211 IonicContact NE-OE2 3.89Å; R146-E211 IonicContact NH1-OE2 3.84Å; E211-Q213 PolarHBondContact O-N 3.35Å |
| 212 | E | 95.8 | Very high | 95.9 | Very high | 78 Ų | 78 | 24.5 Ų | 24.5 | 36% | 0.364 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 12.5 | -179.4 | -55.4 | -68 | 127 | 0 | 0 | 115.6 | T29 P30 R148 V210 | T29-E212 WeakPolarHBondContact CA-O 3.45Å; T29-E212 WeakPolarHBondContact CG2-O 3.34Å; P30-E212 WeakPolarHBondContact CD-O 3.35Å; P30-E212 VanDerWaalsContact CD-OE2 3.25Å; P30-E212 WeakPolarHBondContact CD-OE2 2.96Å; P30-E212 VanDerWaalsContact CG-OE2 3.27Å; P30-E212 WeakPolarHBondContact CG-OE2 3.33Å; R148-E212 IonicContact NH1-OE1 3.15Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 2.8Å |
| 213 | Q | 97.1 | Very high | 95.9 | Very high | 106 Ų | 106 | 24.5 Ų | 24.5 | 50% | 0.495 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 176.2 | 173.8 | 167.9 | -2.4 | 0 | 0 | 111.4 | V27 F209 V210 E211 I215 | V27-Q213 HydrophobicContact CG1-CB 4.02Å; V27-Q213 HydrophobicContact CG1-CG 3.95Å; F209-Q213 VanDerWaalsContact CA-O 3.22Å; F209-Q213 WeakPolarHBondContact CA-O 3.49Å; V210-Q213 PolarHBondContact N-O 3.2Å; V210-Q213 PolarHBondContact O-N 2.85Å; E211-Q213 PolarHBondContact O-N 3.35Å; Q213-I215 PolarHBondContact O-N 3.01Å |
| 214 | L | 97.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.047 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 121.7 | 174.9 | -176.4 | 72.6 | 0 | 0 | 0 | 110.6 | I28 L56 C57 F207 F209 M216 | I28-L214 HydrophobicContact CB-CB 4.06Å; I28-L214 HydrophobicContact CB-CD2 4.21Å; I28-L214 HydrophobicContact CD1-CD2 4.12Å; I28-L214 HydrophobicContact CG2-CB 4.36Å; I28-L214 HydrophobicContact CG2-CD2 4.22Å; I28-L214 WeakPolarHBondContact O-CB 3.49Å; I28-L214 PolarHBondContact O-N 2.75Å; L56-L214 HydrophobicContact CB-CD2 3.58Å; C57-L214 HydrophobicContact CB-CD2 4.07Å; C57-L214 HydrophobicContact CB-CG 4.37Å; F207-L214 HydrophobicContact CB-CD1 3.83Å; F207-L214 HydrophobicContact CD1-CD1 4.23Å; F209-L214 HydrophobicContact CD1-CB 4.09Å; F209-L214 HydrophobicContact CD1-CD1 4.43Å; F209-L214 HydrophobicContact CE1-CB 3.81Å; F209-L214 HydrophobicContact CE1-CD1 3.93Å; F209-L214 HydrophobicContact CE1-CG 4.49Å; F209-L214 HydrophobicContact CE2-CD1 4.46Å; F209-L214 HydrophobicContact CZ-CD1 3.94Å; L214-M216 VanDerWaalsContact CD1-O 3.29Å; L214-M216 WeakPolarHBondContact CD1-O 3.49Å |
| 215 | I | 95.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -27.7 | 179.1 | 58.6 | 144.2 | 0 | 0 | 0 | 113.2 | A61 N62 Y64 I66 F147 Y208 V210 Q213 | A61-I215 CarbonylContact C-O 3.6Å; A61-I215 WeakPolarHBondContact CB-O 3.48Å; N62-I215 PolarHBondContact N-O 3.28Å; Y64-I215 HydrophobicContact CD2-CD1 4.33Å; Y64-I215 HydrophobicContact CD2-CG2 4.22Å; Y64-I215 HydrophobicContact CE2-CG2 4.08Å; I66-I215 HydrophobicContact CD1-CD1 3.7Å; F147-I215 HydrophobicContact CE2-CD1 4.33Å; Y208-I215 WeakPolarHBondContact O-CG1 3.36Å; Y208-I215 PolarHBondContact O-N 2.62Å; V210-I215 HydrophobicContact CB-CG2 4.26Å; V210-I215 HydrophobicContact CG2-CD1 3.5Å; V210-I215 HydrophobicContact CG2-CG1 3.95Å; V210-I215 HydrophobicContact CG2-CG2 4.41Å; Q213-I215 PolarHBondContact O-N 3.01Å |
| 216 | M | 95.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 7% | 0.069 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150.2 | 175.5 | -56.8 | -179.6 | -74 | 0 | 0 | 110 | N62 I66 F68 F147 Y208 L214 | N62-M216 HydrophobicContact CB-CG 3.98Å; I66-M216 HydrophobicContact CB-CE 3.8Å; I66-M216 HydrophobicContact CB-SD 4.32Å; I66-M216 HydrophobicContact CD1-CE 4.38Å; I66-M216 HydrophobicContact CG2-CE 3.61Å; I66-M216 HydrophobicContact CG2-SD 4.48Å; F68-M216 HydrophobicContact CE2-CE 3.63Å; F68-M216 HydrophobicContact CE2-SD 4.27Å; F68-M216 HydrophobicContact CZ-CE 4.11Å; F147-M216 HydrophobicContact CE2-CE 4.34Å; F147-M216 HydrophobicContact CZ-CE 4.16Å; Y208-M216 HydrophobicContact CD1-CE 4.25Å; Y208-M216 HydrophobicContact CD2-CB 3.83Å; Y208-M216 HydrophobicContact CD2-CE 4.35Å; Y208-M216 HydrophobicContact CG-CB 4.22Å; Y208-M216 HydrophobicContact CG-CE 3.94Å; Y208-M216 PolarHBondContact N-O 2.91Å; Y208-M216 PolarHBondContact O-N 2.61Å; L214-M216 VanDerWaalsContact CD1-O 3.29Å; L214-M216 WeakPolarHBondContact CD1-O 3.49Å |
| 217 | H | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 116.7 | 174.9 | 172.1 | -167.8 | 0 | 0 | 0 | 107.1 | T40 Y55 L56 R115 D205 S206 F207 K219 | T40-H217 PolarHBondContact OG1-CE1 3.03Å; Y55-H217 HydrophobicContact CD1-CB 4.32Å; Y55-H217 AromaticContact CD1-CG 3.95Å; Y55-H217 WeakPolarHBondContact CD1-O 3.49Å; Y55-H217 WeakPolarHBondContact CE1-O 3.41Å; L56-H217 PolarHBondContact N-ND1 3.46Å; R115-H217 VanDerWaalsContact CZ-O 3.29Å; R115-H217 PolarHBondContact NE-O 3.49Å; R115-H217 PolarHBondContact NH2-O 2.77Å; D205-H217 IonicContact OD1-CE1 3.47Å; D205-H217 IonicContact OD1-NE2 3.94Å; D205-H217 PolarHBondContact OD1-NE2 3.26Å; D205-H217 VanDerWaalsContact OD1-NE2 3.09Å; S206-H217 WeakPolarHBondContact O-CA 3.49Å; F207-H217 HydrophobicContact CD1-CB 4.44Å; F207-H217 AromaticContact CD1-CD2 3.91Å; F207-H217 AromaticContact CD1-CG 3.99Å; F207-H217 AromaticContact CE1-CD2 3.82Å; F207-H217 AromaticContact CE1-CE1 3.86Å; F207-H217 AromaticContact CE1-NE2 3.73Å; H217-K219 PolarHBondContact NE2-NZ 2.72Å |
| 218 | N | 93.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 154.1 | 175.9 | -65.1 | -11.8 | 0 | 0 | 0 | 109.6 | R115 S206 Y208 | R115-N218 WeakPolarHBondContact O-CA 3.49Å; S206-N218 PolarHBondContact N-O 2.89Å; S206-N218 PolarHBondContact O-N 2.8Å; Y208-N218 HydrophobicContact CE2-CB 4.28Å |
| 219 | K | 93.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.9 | -178.8 | -72.8 | 177.9 | 177.6 | -67.4 | 0 | 110.3 | T40 D54 Y55 R115 F116 V117 S204 D205 H217 | T40-K219 PolarHBondContact O-NZ 2.9Å; T40-K219 PolarHBondContact OG1-NZ 2.82Å; D54-K219 WeakPolarHBondContact O-CE 3.17Å; Y55-K219 HydrophobicContact CD1-CD 4.24Å; Y55-K219 HydrophobicContact CD1-CG 4.33Å; Y55-K219 HydrophobicContact CE1-CB 4.23Å; Y55-K219 HydrophobicContact CE1-CD 3.8Å; Y55-K219 HydrophobicContact CE1-CG 3.78Å; R115-K219 PolarHBondContact O-N 3.14Å; F116-K219 VanDerWaalsContact CA-O 3.26Å; F116-K219 WeakPolarHBondContact CA-O 3.34Å; F116-K219 HydrophobicContact CD2-CB 3.84Å; V117-K219 PolarHBondContact N-O 3.14Å; S204-K219 WeakPolarHBondContact O-CA 3.48Å; D205-K219 WeakPolarHBondContact OD1-CG 3.28Å; D205-K219 IonicContact OD1-NZ 2.8Å; D205-K219 PolarHBondContact OD1-NZ 3.26Å; D205-K219 IonicContact OD2-NZ 2.67Å; H217-K219 PolarHBondContact NE2-NZ 2.72Å |
| 220 | A | 93 | Very high | 87.1 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V117 Y119 R203 S204 Y222 | V117-A220 WeakPolarHBondContact O-CA 3.45Å; V117-A220 WeakPolarHBondContact O-CB 3.49Å; Y119-A220 HydrophobicContact CD2-CB 3.9Å; Y119-A220 HydrophobicContact CE2-CB 3.66Å; R203-A220 CarbonylContact C-O 3.51Å; R203-A220 VanDerWaalsContact CA-O 3.23Å; R203-A220 WeakPolarHBondContact CA-O 3.42Å; S204-A220 PolarHBondContact N-O 3.42Å; S204-A220 PolarHBondContact O-N 3.46Å; S204-A220 VanDerWaalsContact O-N 3.08Å; A220-Y222 HydrophobicContact CB-CE2 4.08Å |
| 221 | D | 95.2 | Very high | 84.1 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.5 | 164.3 | 67.9 | 12 | 0 | 0 | 0 | 111.1 | F116 V117 R118 Y119 Y200 T202 R203 | F116-D221 HydrophobicContact CZ-CB 4.24Å; F116-D221 VanDerWaalsContact CZ-CG 3.49Å; F116-D221 WeakPolarHBondContact CZ-OD2 3.38Å; V117-D221 PolarHBondContact O-N 3.42Å; R118-D221 WeakPolarHBondContact CA-OD1 3.06Å; R118-D221 VanDerWaalsContact CB-OD1 3.31Å; R118-D221 WeakPolarHBondContact CB-OD1 3.46Å; R118-D221 WeakPolarHBondContact CG-OD1 3.41Å; R118-D221 IonicContact CZ-OD1 3.88Å; R118-D221 IonicContact CZ-OD2 3.39Å; R118-D221 IonicContact NE-OD1 2.94Å; R118-D221 PolarHBondContact NE-OD1 3.03Å; R118-D221 IonicContact NE-OD2 3.2Å; R118-D221 PolarHBondContact NE-OD2 3.44Å; R118-D221 IonicContact NH2-OD1 3.92Å; R118-D221 IonicContact NH2-OD2 2.74Å; R118-D221 PolarHBondContact NH2-OD2 2.7Å; Y119-D221 PolarHBondContact N-O 3.1Å; Y200-D221 HydrophobicContact CD1-CB 4.32Å; Y200-D221 WeakPolarHBondContact CD1-OD1 3.43Å; T202-D221 WeakPolarHBondContact O-CA 3.01Å; R203-D221 HydrophobicContact CG-CB 4.09Å |
| 222 | Y | 95.9 | Very high | 81.1 | Confident | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.7 | -168.9 | -51.7 | -96 | 0 | 0 | 0 | 110.5 | Y119 F121 H153 Y200 T202 S204 A220 Y224 | Y119-Y222 AromaticContact CD2-CD1 3.68Å; Y119-Y222 HydrophobicContact CD2-CD1 3.68Å; Y119-Y222 AromaticContact CD2-CE1 3.34Å; Y119-Y222 HydrophobicContact CD2-CE1 3.34Å; Y119-Y222 AromaticContact CE2-CE1 3.88Å; Y119-Y222 HydrophobicContact CE2-CE1 3.88Å; Y119-Y222 AromaticContact CG-CD1 3.96Å; Y119-Y222 HydrophobicContact CG-CD1 3.96Å; Y119-Y222 AromaticContact CG-CE1 3.96Å; Y119-Y222 HydrophobicContact CG-CE1 3.96Å; F121-Y222 HydrophobicContact CD2-CD1 4.3Å; F121-Y222 AromaticContact CE2-CD1 3.93Å; F121-Y222 HydrophobicContact CE2-CD1 3.93Å; F121-Y222 HydrophobicContact CE2-CE1 4.37Å; H153-Y222 AromaticContact CE1-CZ 3.62Å; H153-Y222 PolarHBondContact CE1-OH 3.24Å; H153-Y222 AromaticContact ND1-CE2 3.9Å; H153-Y222 AromaticContact ND1-CZ 3.91Å; Y200-Y222 WeakPolarHBondContact CA-O 3.33Å; Y200-Y222 PolarHBondContact N-O 3Å; T202-Y222 HydrophobicContact CG2-CD2 3.85Å; T202-Y222 HydrophobicContact CG2-CG 4.34Å; T202-Y222 WeakPolarHBondContact O-CD2 3.48Å; T202-Y222 PolarHBondContact O-N 3.33Å; S204-Y222 WeakPolarHBondContact CB-OH 3.34Å; S204-Y222 WeakPolarHBondContact OG-CE2 3.41Å; S204-Y222 PolarHBondContact OG-OH 2.88Å; A220-Y222 HydrophobicContact CB-CE2 4.08Å; Y222-Y224 WeakPolarHBondContact CB-OH 3.06Å |
| 223 | A | 96 | Very high | 78.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y119 F121 P199 Y200 | Y119-A223 PolarHBondContact O-N 3.17Å; F121-A223 WeakPolarHBondContact CA-O 3.46Å; F121-A223 PolarHBondContact N-O 3.17Å; P199-A223 HydrophobicContact CB-CB 3.62Å; Y200-A223 HydrophobicContact CD1-CB 3.94Å; Y200-A223 HydrophobicContact CE1-CB 3.43Å; Y200-A223 VanDerWaalsContact CE1-CB 3.43Å |
| 224 | Y | 96.6 | Very high | 75 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | trans | -118.2 | 16.8 | -179.8 | -53.5 | -76.2 | 0 | 0 | 0 | 112.3 | F121 T122 P123 F125 L126 M195 T202 Y222 | F121-Y224 HydrophobicContact CB-CD1 3.98Å; F121-Y224 HydrophobicContact CB-CE1 4.45Å; F121-Y224 HydrophobicContact CD2-CD1 4.46Å; F121-Y224 HydrophobicContact CD2-CE1 4.1Å; F121-Y224 CarbonylContact O-C 3.16Å; F121-Y224 VanDerWaalsContact O-CA 3.23Å; F121-Y224 WeakPolarHBondContact O-CA 3.41Å; T122-Y224 CarbonylContact C-O 3.39Å; P123-Y224 WeakPolarHBondContact CA-O 3.4Å; P123-Y224 WeakPolarHBondContact CD-O 3.31Å; P123-Y224 WeakPolarHBondContact CG-O 3.23Å; F125-Y224 HydrophobicContact CB-CD1 4.4Å; F125-Y224 HydrophobicContact CD1-CD1 4.2Å; F125-Y224 AromaticContact CD1-CE1 3.72Å; F125-Y224 HydrophobicContact CD1-CE1 3.72Å; F125-Y224 HydrophobicContact CE1-CE1 4.25Å; L126-Y224 HydrophobicContact CD1-CD1 4.2Å; L126-Y224 HydrophobicContact CD1-CD2 3.95Å; L126-Y224 HydrophobicContact CD1-CG 3.71Å; L126-Y224 HydrophobicContact CD2-CD1 3.71Å; L126-Y224 HydrophobicContact CD2-CD2 4.02Å; L126-Y224 HydrophobicContact CD2-CE1 3.57Å; L126-Y224 HydrophobicContact CD2-CE2 3.89Å; L126-Y224 HydrophobicContact CD2-CG 3.92Å; L126-Y224 HydrophobicContact CG-CD1 3.71Å; L126-Y224 HydrophobicContact CG-CD2 4.25Å; L126-Y224 HydrophobicContact CG-CE1 4.11Å; L126-Y224 HydrophobicContact CG-CG 3.77Å; M195-Y224 HydrophobicContact CB-CD2 4.06Å; M195-Y224 HydrophobicContact CB-CE2 4.35Å; M195-Y224 HydrophobicContact CE-CD2 4.27Å; M195-Y224 HydrophobicContact CE-CE2 3.54Å; T202-Y224 HydrophobicContact CG2-CE2 4.1Å; T202-Y224 WeakPolarHBondContact CG2-OH 3.41Å; Y222-Y224 WeakPolarHBondContact CB-OH 3.06Å | ||
| 225 | N | 94.6 | Very high | 73.9 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | trans | -104.2 | 17.3 | -179.2 | 68.3 | -21 | 0 | 0 | 0 | 112.6 | Q120 F121 I196 | Q120-N225 PolarHBondContact NE2-OD1 3.45Å; F121-N225 PolarHBondContact O-N 3.27Å; I196-N225 HydrophobicContact CG2-CB 4.34Å | ||
| 226 | G | 89 | Confident | 72.8 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 13% | 0.134 | 40% | 0.399 | C | S | . | . | trans | -65.2 | 145.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F121 | F121-G226 WeakPolarHBondContact O-CA 3.4Å; F121-G226 PolarHBondContact O-N 3.24Å | ||
| 227 | D | 79.9 | Confident | 71.5 | Confident | 146 Ų | 146 | 73.6 Ų | 73.6 | 78% | 0.781 | 42% | 0.418 | S | S | * | . | trans | -68.5 | 141.1 | 176.3 | -66.4 | -44.2 | 0 | 0 | 0 | 110.8 | V229 | D227-V229 PolarHBondContact O-N 3.47Š| ||
| 228 | V | 57.2 | Low | 70.2 | Confident | 115 Ų | 115 | 77.9 Ų | 77.9 | 70% | 0.697 | 44% | 0.442 | S | S | * | . | trans | -70.6 | 102 | 163 | -177.4 | 0 | 0 | 0 | 0 | 105.6 | T122 S230 | T122-V228 HydrophobicContact CG2-CG2 4.34Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.31Å | ||
| 229 | V | 43.6 | Very low | 68.7 | Low | 123 Ų | 123 | 80.9 Ų | 80.9 | 75% | 0.745 | 46% | 0.46 | S | S | * | . | trans | -60.3 | 101.3 | 168.1 | -176.4 | 0 | 0 | 0 | 0 | 106.2 | D227 T231 | D227-V229 PolarHBondContact O-N 3.47Å; V229-T231 PolarHBondContact O-N 2.56Å | ||
| 230 | S | 31.3 | Very low | 67 | Low | 80 Ų | 80 | 85.3 Ų | 85.3 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | trans | -65 | 103.7 | 168.4 | 57.6 | 0 | 0 | 0 | 0 | 106.1 | V228 Y232 | V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.31Å; S230-Y232 PolarHBondContact O-N 2.93Å | ||
| 231 | T | 33.8 | Very low | 65.2 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 76% | 0.755 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -69 | 71.2 | 164.5 | 53.1 | 0 | 0 | 0 | 0 | 108.2 | V229 | V229-T231 PolarHBondContact O-N 2.56Š|
| 232 | Y | 33.7 | Very low | 62.9 | Low | 206 Ų | 206 | 97.2 Ų | 97.2 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | trans | -155.9 | 68.5 | 166.8 | -77.2 | -73 | 0 | 0 | 0 | 106.3 | S230 | S230-Y232 PolarHBondContact O-N 2.93Š| ||
| 233 | D | 32.8 | Very low | 60.1 | Low | 150 Ų | 150 | 104.1 Ų | 104.1 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | -154.2 | 111.4 | 155.6 | -92.2 | -34.1 | 0 | 0 | 0 | 108.9 | ||||
| 234 | C | 32.7 | Very low | 56.8 | Low | 210 Ų | 210 | 113.5 Ų | 113.5 | 100% | 1.419 | 65% | 0.648 | S | S | * | * | trans | 77 | 0 | 179 | -61.8 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 234 of 234 residues in 520 ms
(Link to these results)