| 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 | 59.3 | Low | 89.1 | Confident | 228 Ų | 228 | 82.5 Ų | 82.5 | 100% | 1.123 | 45% | 0.447 | S | S | * | . | 0 | 144.4 | 0 | -97.9 | 176.4 | -117 | 0 | 0 | 108 | |||||
| 2 | A | 70.7 | Confident | 89.8 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 60% | 0.603 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 149.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R26 | A2-R26 PolarHBondContact O-NH2 3.48Š|
| 3 | P | 81.6 | Confident | 90.3 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 77% | 0.766 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 159.7 | 173.5 | 23.3 | -30.9 | 0 | 0 | 0 | 111.6 | R26 | P3-R26 VanDerWaalsContact C-NH2 3.32Å; P3-R26 PolarHBondContact O-NH2 3.02Å |
| 4 | L | 90.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 136.7 | 170.5 | -79.8 | 100.4 | 0 | 0 | 0 | 109.4 | L6 Y9 R26 Y30 | L4-L6 HydrophobicContact CB-CD2 3.94Å; L4-L6 HydrophobicContact CB-CG 4.2Å; L4-L6 HydrophobicContact CD2-CD2 4.03Å; L4-L6 PolarHBondContact O-N 3.03Å; L4-Y9 HydrophobicContact CD2-CE2 3.8Å; L4-R26 HydrophobicContact CD2-CB 4.29Å; L4-Y30 HydrophobicContact CD1-CD2 4.26Å; L4-Y30 HydrophobicContact CD1-CG 4.21Å |
| 5 | D | 94.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 77.2 Ų | 77.2 | 43% | 0.428 | 40% | 0.4 | S | S | . | . | trans | -97.4 | 80.2 | 173.8 | -173.1 | -12.5 | 0 | 0 | 0 | 109 | D7 K8 Y9 | D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 2.99Å; D5-K8 HydrophobicContact CB-CB 4.1Å; D5-K8 PolarHBondContact O-N 3.23Å; D5-K8 WeakPolarHBondContact OD1-CB 3.41Å; D5-K8 PolarHBondContact OD1-N 2.94Å; D5-K8 VanDerWaalsContact OD1-N 3.1Å; D5-K8 WeakPolarHBondContact OD2-CB 3.4Å; D5-Y9 VanDerWaalsContact O-CD1 3.31Å; D5-Y9 WeakPolarHBondContact O-CD1 3.21Å; D5-Y9 PolarHBondContact O-N 2.53Å | ||
| 6 | L | 96.8 | Very high | 91.4 | Very high | 30 Ų | 30 | 73.6 Ų | 73.6 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.5 | -28.9 | -174.1 | -61 | 178.7 | 0 | 0 | 0 | 112.3 | L4 Y9 V10 L27 Y30 A101 K102 | L4-L6 HydrophobicContact CB-CD2 3.94Å; L4-L6 HydrophobicContact CB-CG 4.2Å; L4-L6 HydrophobicContact CD2-CD2 4.03Å; L4-L6 PolarHBondContact O-N 3.03Å; L6-Y9 HydrophobicContact CD2-CD2 4.35Å; L6-Y9 PolarHBondContact O-N 3.13Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.43Å; L6-L27 HydrophobicContact CD2-CD1 4.4Å; L6-Y30 HydrophobicContact CD1-CE1 4.39Å; L6-A101 HydrophobicContact CD1-CB 4.19Å; L6-A101 WeakPolarHBondContact CD1-O 3.19Å; L6-A101 HydrophobicContact CD2-CB 3.72Å; L6-K102 HydrophobicContact CB-CB 4.2Å; L6-K102 HydrophobicContact CB-CG 4.34Å; L6-K102 HydrophobicContact CD1-CB 4.35Å |
| 7 | D | 97 | Very high | 91.7 | Very high | 100 Ų | 100 | 75.8 Ų | 75.8 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -51.3 | 173.2 | -74.2 | -51 | 0 | 0 | 0 | 110.8 | D5 Y9 V10 E11 K102 | D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 2.99Å; D7-Y9 VanDerWaalsContact C-N 3.33Å; D7-Y9 PolarHBondContact O-N 3.38Å; D7-V10 PolarHBondContact O-N 3.17Å; D7-E11 PolarHBondContact O-N 2.76Å; D7-K102 WeakPolarHBondContact OD1-CE 3.47Å; D7-K102 IonicContact OD1-NZ 2.53Å; D7-K102 PolarHBondContact OD1-NZ 3.5Å |
| 8 | K | 97.2 | Very high | 91.9 | Very high | 97 Ų | 97 | 76.9 Ų | 76.9 | 42% | 0.422 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.4 | -179.5 | -176.7 | 177 | -171.3 | 0 | 112.2 | D5 E11 I12 | D5-K8 HydrophobicContact CB-CB 4.1Å; D5-K8 PolarHBondContact O-N 3.23Å; D5-K8 WeakPolarHBondContact OD1-CB 3.41Å; D5-K8 PolarHBondContact OD1-N 2.94Å; D5-K8 VanDerWaalsContact OD1-N 3.1Å; D5-K8 WeakPolarHBondContact OD2-CB 3.4Å; K8-E11 PolarHBondContact O-N 3.32Å; K8-I12 HydrophobicContact CD-CD1 4.5Å; K8-I12 HydrophobicContact CG-CD1 3.85Å; K8-I12 HydrophobicContact CG-CG1 4.45Å; K8-I12 VanDerWaalsContact O-CG1 3.31Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 2.75Å |
| 9 | Y | 97.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | -179.1 | -69.6 | 2.7 | 0 | 0 | 0 | 111.7 | L4 D5 L6 D7 I12 A13 L19 D23 L27 | L4-Y9 HydrophobicContact CD2-CE2 3.8Å; D5-Y9 VanDerWaalsContact O-CD1 3.31Å; D5-Y9 WeakPolarHBondContact O-CD1 3.21Å; D5-Y9 PolarHBondContact O-N 2.53Å; L6-Y9 HydrophobicContact CD2-CD2 4.35Å; L6-Y9 PolarHBondContact O-N 3.13Å; D7-Y9 VanDerWaalsContact C-N 3.33Å; D7-Y9 PolarHBondContact O-N 3.38Å; Y9-I12 PolarHBondContact O-N 2.87Å; Y9-A13 VanDerWaalsContact O-CB 3.3Å; Y9-A13 WeakPolarHBondContact O-CB 3.42Å; Y9-A13 PolarHBondContact O-N 2.82Å; Y9-L19 HydrophobicContact CD1-CD1 4.31Å; Y9-L19 HydrophobicContact CD1-CD2 3.91Å; Y9-L19 HydrophobicContact CD2-CD1 3.93Å; Y9-L19 HydrophobicContact CE2-CD1 4.39Å; Y9-L19 HydrophobicContact CG-CD1 3.9Å; Y9-L19 HydrophobicContact CG-CD2 4.07Å; Y9-D23 HydrophobicContact CE1-CB 3.7Å; Y9-D23 HydrophobicContact CE2-CB 4.35Å; Y9-D23 WeakPolarHBondContact OH-CA 3.26Å; Y9-D23 VanDerWaalsContact OH-CB 3.32Å; Y9-D23 WeakPolarHBondContact OH-CB 3.49Å; Y9-D23 PolarHBondContact OH-OD1 3.44Å; Y9-L27 HydrophobicContact CD2-CB 4.22Å; Y9-L27 HydrophobicContact CD2-CD1 4.37Å; Y9-L27 HydrophobicContact CD2-CD2 4.43Å; Y9-L27 HydrophobicContact CE2-CB 4.16Å |
| 10 | V | 97.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L6 D7 R14 Y95 A98 L99 K102 | L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.48Å; L6-V10 PolarHBondContact O-N 3.43Å; D7-V10 PolarHBondContact O-N 3.17Å; V10-R14 WeakPolarHBondContact O-CB 3.25Å; V10-R14 PolarHBondContact O-N 3.01Å; V10-Y95 HydrophobicContact CG1-CE2 4.18Å; V10-A98 HydrophobicContact CG2-CB 3.76Å; V10-L99 HydrophobicContact CG1-CD2 4.25Å; V10-L99 HydrophobicContact CG2-CD2 4.38Å; V10-K102 HydrophobicContact CG2-CB 4.47Å; V10-K102 HydrophobicContact CG2-CD 4Å |
| 11 | E | 97.2 | Very high | 92.7 | Very high | 121 Ų | 121 | 71.8 Ų | 71.8 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 179.1 | -174.6 | 175.7 | -171.6 | 0 | 0 | 112.5 | D7 K8 Q15 | D7-E11 PolarHBondContact O-N 2.76Å; K8-E11 PolarHBondContact O-N 3.32Å; E11-Q15 WeakPolarHBondContact O-CG 3.31Å |
| 12 | I | 97.2 | Very high | 94.5 | Very high | 38 Ų | 38 | 66.6 Ų | 66.6 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -52.2 | 177.1 | -67.8 | 168.5 | 0 | 0 | 0 | 110.1 | K8 Y9 R14 Q15 K17 L19 | K8-I12 HydrophobicContact CD-CD1 4.5Å; K8-I12 HydrophobicContact CG-CD1 3.85Å; K8-I12 HydrophobicContact CG-CG1 4.45Å; K8-I12 VanDerWaalsContact O-CG1 3.31Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 2.75Å; Y9-I12 PolarHBondContact O-N 2.87Å; I12-R14 VanDerWaalsContact C-N 3.32Å; I12-R14 PolarHBondContact O-N 3.1Å; I12-Q15 PolarHBondContact O-N 3.07Å; I12-Q15 VanDerWaalsContact O-N 3.08Å; I12-K17 HydrophobicContact CG2-CB 3.7Å; I12-K17 PolarHBondContact O-N 3.01Å; I12-L19 HydrophobicContact CB-CD2 3.99Å; I12-L19 HydrophobicContact CD1-CD2 4.07Å; I12-L19 HydrophobicContact CG2-CD2 3.92Å |
| 13 | A | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y9 Q15 C16 K17 F58 T94 Y95 | Y9-A13 VanDerWaalsContact O-CB 3.3Å; Y9-A13 WeakPolarHBondContact O-CB 3.42Å; Y9-A13 PolarHBondContact O-N 2.82Å; A13-Q15 PolarHBondContact O-N 3.18Å; A13-Q15 VanDerWaalsContact O-N 3.16Å; A13-C16 PolarHBondContact O-N 3.39Å; A13-K17 WeakPolarHBondContact CA-O 2.99Å; A13-F58 VanDerWaalsContact O-CE2 3.31Å; A13-F58 WeakPolarHBondContact O-CE2 3.44Å; A13-F58 WeakPolarHBondContact O-CZ 3.31Å; A13-T94 HydrophobicContact CB-CG2 4.35Å; A13-Y95 HydrophobicContact CB-CD2 3.87Å; A13-Y95 HydrophobicContact CB-CG 4.31Å |
| 14 | R | 96 | Very high | 96.6 | Very high | 112 Ų | 112 | 58.8 Ų | 58.8 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -25.5 | 176.2 | -175.6 | 179.5 | -72.6 | 170.5 | -5.4 | 113.3 | V10 I12 C16 Y95 | V10-R14 WeakPolarHBondContact O-CB 3.25Å; V10-R14 PolarHBondContact O-N 3.01Å; I12-R14 VanDerWaalsContact C-N 3.32Å; I12-R14 PolarHBondContact O-N 3.1Å; R14-C16 PolarHBondContact O-N 3.36Å; R14-Y95 HydrophobicContact CB-CD2 4.46Å; R14-Y95 HydrophobicContact CB-CE2 3.83Å; R14-Y95 HydrophobicContact CG-CE2 4.43Å; R14-Y95 PolarHBondContact NE-OH 3.44Å; R14-Y95 VanDerWaalsContact NE-OH 3.13Å |
| 15 | Q | 96.2 | Very high | 96.9 | Very high | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 15.1 | 177.7 | -64.5 | 177.3 | 10.2 | 0 | 0 | 113.3 | E11 I12 A13 K17 | E11-Q15 WeakPolarHBondContact O-CG 3.31Å; I12-Q15 PolarHBondContact O-N 3.07Å; I12-Q15 VanDerWaalsContact O-N 3.08Å; A13-Q15 PolarHBondContact O-N 3.18Å; A13-Q15 VanDerWaalsContact O-N 3.16Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CD 4.23Å; Q15-K17 HydrophobicContact CB-CG 4.35Å; Q15-K17 PolarHBondContact O-N 2.83Å |
| 16 | C | 96.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 39.1 | -173.2 | -161.9 | 0 | 0 | 0 | 0 | 112.2 | A13 R14 F58 Y88 | A13-C16 PolarHBondContact O-N 3.39Å; R14-C16 PolarHBondContact O-N 3.36Å; C16-F58 HydrophobicContact CB-CD1 3.55Å; C16-F58 HydrophobicContact CB-CE1 3.39Å; C16-F58 HydrophobicContact CB-CG 4.33Å; C16-F58 HydrophobicContact CB-CZ 4.05Å; C16-F58 VanDerWaalsContact SG-CD1 3.51Å; C16-Y88 WeakPolarHBondContact SG-CD1 3.35Å |
| 17 | K | 96 | Very high | 97.2 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | trans | -115.5 | 143.7 | 174.5 | -65.4 | 172.9 | -177.8 | 163.7 | 0 | 109.5 | I12 A13 Q15 | I12-K17 HydrophobicContact CG2-CB 3.7Å; I12-K17 PolarHBondContact O-N 3.01Å; A13-K17 WeakPolarHBondContact CA-O 2.99Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CD 4.23Å; Q15-K17 HydrophobicContact CB-CG 4.35Å; Q15-K17 PolarHBondContact O-N 2.83Å | ||
| 18 | Y | 94.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 53.4 Ų | 53.4 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -88.6 | 151.4 | 172.9 | 58.2 | -88.4 | 0 | 0 | 0 | 111.4 | L90 K132 Y133 | Y18-L90 HydrophobicContact CD1-CD2 4.4Å; Y18-L90 HydrophobicContact CD2-CD2 4.43Å; Y18-L90 HydrophobicContact CG-CD2 3.91Å; Y18-K132 HydrophobicContact CD1-CB 4.44Å; Y18-K132 HydrophobicContact CD1-CD 3.95Å; Y18-K132 HydrophobicContact CD1-CG 4.43Å; Y18-K132 HydrophobicContact CE1-CB 4.03Å; Y18-K132 HydrophobicContact CE1-CD 4.06Å; Y18-K132 HydrophobicContact CE1-CG 4.06Å; Y18-K132 HydrophobicContact CE2-CB 4.28Å; Y18-K132 PolarHBondContact OH-O 3.34Å; Y18-Y133 AromaticContact CD2-CE1 3.87Å; Y18-Y133 HydrophobicContact CD2-CE1 3.87Å; Y18-Y133 HydrophobicContact CD2-CE2 4.13Å; Y18-Y133 AromaticContact CD2-CZ 3.61Å; Y18-Y133 HydrophobicContact CE2-CE1 4.2Å |
| 19 | L | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 158.3 | -179.4 | -61.1 | 176.3 | 0 | 0 | 0 | 111.2 | Y9 I12 D23 L24 L27 T94 Y133 | Y9-L19 HydrophobicContact CD1-CD1 4.31Å; Y9-L19 HydrophobicContact CD1-CD2 3.91Å; Y9-L19 HydrophobicContact CD2-CD1 3.93Å; Y9-L19 HydrophobicContact CE2-CD1 4.39Å; Y9-L19 HydrophobicContact CG-CD1 3.9Å; Y9-L19 HydrophobicContact CG-CD2 4.07Å; I12-L19 HydrophobicContact CB-CD2 3.99Å; I12-L19 HydrophobicContact CD1-CD2 4.07Å; I12-L19 HydrophobicContact CG2-CD2 3.92Å; L19-D23 HydrophobicContact CB-CB 4.14Å; L19-L24 HydrophobicContact CB-CB 4.34Å; L19-L27 HydrophobicContact CD1-CD2 3.77Å; L19-T94 HydrophobicContact CD1-CG2 3.71Å; L19-T94 HydrophobicContact CG-CG2 3.79Å; L19-Y133 WeakPolarHBondContact O-CE1 3.31Å; L19-Y133 PolarHBondContact O-OH 3.03Å |
| 20 | P | 97.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 144.9 | 162.4 | -24.7 | 34.9 | 0 | 0 | 0 | 111.4 | N22 D23 L24 | P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.32Å; P20-N22 VanDerWaalsContact O-N 3.14Å; P20-D23 HydrophobicContact CB-CB 4.32Å; P20-D23 WeakPolarHBondContact O-CA 3.28Å; P20-D23 WeakPolarHBondContact O-CB 3.21Å; P20-D23 PolarHBondContact O-N 2.98Å; P20-L24 PolarHBondContact O-N 2.95Å |
| 21 | E | 97.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.6 | -42.4 | -172.3 | -173.7 | 177.4 | 132.3 | 0 | 0 | 113.1 | D23 L24 K25 Y133 N135 N137 Y141 | E21-D23 VanDerWaalsContact C-N 3.35Å; E21-D23 PolarHBondContact O-N 2.96Å; E21-L24 PolarHBondContact O-N 2.82Å; E21-K25 WeakPolarHBondContact O-CB 3.31Å; E21-K25 PolarHBondContact O-N 2.9Å; E21-Y133 HydrophobicContact CB-CD1 3.81Å; E21-Y133 HydrophobicContact CB-CE1 3.92Å; E21-Y133 HydrophobicContact CG-CD1 4.26Å; E21-N135 PolarHBondContact OE2-ND2 3.48Å; E21-N137 WeakPolarHBondContact OE1-CB 3.45Å; E21-N137 PolarHBondContact OE1-ND2 2.91Å; E21-Y141 HydrophobicContact CG-CE2 4.1Å |
| 22 | N | 97 | Very high | 97.5 | Very high | 119 Ų | 119 | 49 Ų | 49 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -67 | -34.3 | 177.5 | -74 | -31.5 | 0 | 0 | 0 | 113 | P20 R26 | P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.32Å; P20-N22 VanDerWaalsContact O-N 3.14Å; N22-R26 VanDerWaalsContact O-CG 3.25Å; N22-R26 WeakPolarHBondContact O-CG 3.45Å; N22-R26 PolarHBondContact O-N 3.31Å; N22-R26 VanDerWaalsContact O-N 3.09Å |
| 23 | D | 97.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.6 | -77 | -28.2 | 0 | 0 | 0 | 110.5 | Y9 L19 P20 E21 K25 R26 L27 | Y9-D23 HydrophobicContact CE1-CB 3.7Å; Y9-D23 HydrophobicContact CE2-CB 4.35Å; Y9-D23 WeakPolarHBondContact OH-CA 3.26Å; Y9-D23 VanDerWaalsContact OH-CB 3.32Å; Y9-D23 WeakPolarHBondContact OH-CB 3.49Å; Y9-D23 PolarHBondContact OH-OD1 3.44Å; L19-D23 HydrophobicContact CB-CB 4.14Å; P20-D23 HydrophobicContact CB-CB 4.32Å; P20-D23 WeakPolarHBondContact O-CA 3.28Å; P20-D23 WeakPolarHBondContact O-CB 3.21Å; P20-D23 PolarHBondContact O-N 2.98Å; E21-D23 VanDerWaalsContact C-N 3.35Å; E21-D23 PolarHBondContact O-N 2.96Å; D23-K25 PolarHBondContact O-N 3.11Å; D23-R26 PolarHBondContact O-N 3.12Å; D23-R26 IonicContact OD1-NH1 3.76Å; D23-L27 WeakPolarHBondContact O-CB 3.47Å; D23-L27 PolarHBondContact O-N 3.32Å |
| 24 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 171.7 | 177.3 | 64.6 | 0 | 0 | 0 | 111.1 | L19 P20 E21 R26 L27 C28 L90 T94 Y133 A138 | L19-L24 HydrophobicContact CB-CB 4.34Å; P20-L24 PolarHBondContact O-N 2.95Å; E21-L24 PolarHBondContact O-N 2.82Å; L24-R26 VanDerWaalsContact C-N 3.32Å; L24-R26 PolarHBondContact O-N 3.42Å; L24-L27 PolarHBondContact O-N 3.16Å; L24-C28 PolarHBondContact O-N 3.38Å; L24-C28 PolarHBondContact O-SG 3.24Å; L24-C28 VanDerWaalsContact O-SG 3.37Å; L24-L90 HydrophobicContact CD2-CD1 4.15Å; L24-T94 HydrophobicContact CD1-CG2 4.39Å; L24-Y133 HydrophobicContact CD2-CE2 4.08Å; L24-Y133 WeakPolarHBondContact CD2-OH 3.3Å; L24-A138 HydrophobicContact CD2-CB 3.6Å |
| 25 | K | 98.4 | Very high | 97.7 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.6 | -48.3 | 177.7 | -173.4 | -173.2 | 179.9 | -61.7 | 0 | 111.4 | E21 D23 L27 C28 D29 Y141 | E21-K25 WeakPolarHBondContact O-CB 3.31Å; E21-K25 PolarHBondContact O-N 2.9Å; D23-K25 PolarHBondContact O-N 3.11Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-C28 PolarHBondContact O-N 3.37Å; K25-D29 IonicContact NZ-OD2 3.72Å; K25-D29 PolarHBondContact NZ-OD2 2.96Å; K25-D29 PolarHBondContact O-N 3.06Å; K25-Y141 HydrophobicContact CB-CD2 3.75Å; K25-Y141 HydrophobicContact CB-CE2 3.59Å; K25-Y141 HydrophobicContact CB-CG 4.3Å; K25-Y141 HydrophobicContact CD-CE1 4.02Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.09Å; K25-Y141 HydrophobicContact CG-CD2 4.07Å; K25-Y141 HydrophobicContact CG-CE1 3.88Å; K25-Y141 HydrophobicContact CG-CE2 3.84Å; K25-Y141 HydrophobicContact CG-CG 4.2Å |
| 26 | R | 98.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 49 Ų | 49 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 179.7 | -72.4 | 172.5 | 68.8 | -151.7 | -2 | 111.8 | A2 P3 L4 N22 D23 L24 Y30 | A2-R26 PolarHBondContact O-NH2 3.48Å; P3-R26 VanDerWaalsContact C-NH2 3.32Å; P3-R26 PolarHBondContact O-NH2 3.02Å; L4-R26 HydrophobicContact CD2-CB 4.29Å; N22-R26 VanDerWaalsContact O-CG 3.25Å; N22-R26 WeakPolarHBondContact O-CG 3.45Å; N22-R26 PolarHBondContact O-N 3.31Å; N22-R26 VanDerWaalsContact O-N 3.09Å; D23-R26 PolarHBondContact O-N 3.12Å; D23-R26 IonicContact OD1-NH1 3.76Å; L24-R26 VanDerWaalsContact C-N 3.32Å; L24-R26 PolarHBondContact O-N 3.42Å; R26-Y30 WeakPolarHBondContact O-CB 3.36Å; R26-Y30 PolarHBondContact O-N 2.84Å |
| 27 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 174.6 | 177.3 | 61.5 | 0 | 0 | 0 | 111 | L6 Y9 L19 D23 L24 K25 D29 Y30 V31 T94 L97 A98 A101 | L6-L27 HydrophobicContact CD2-CD1 4.4Å; Y9-L27 HydrophobicContact CD2-CB 4.22Å; Y9-L27 HydrophobicContact CD2-CD1 4.37Å; Y9-L27 HydrophobicContact CD2-CD2 4.43Å; Y9-L27 HydrophobicContact CE2-CB 4.16Å; L19-L27 HydrophobicContact CD1-CD2 3.77Å; D23-L27 WeakPolarHBondContact O-CB 3.47Å; D23-L27 PolarHBondContact O-N 3.32Å; L24-L27 PolarHBondContact O-N 3.16Å; K25-L27 VanDerWaalsContact C-N 3.35Å; L27-D29 PolarHBondContact O-N 3.08Å; L27-Y30 PolarHBondContact O-N 3.15Å; L27-V31 HydrophobicContact CD1-CG2 4.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.1Å; L27-V31 PolarHBondContact O-N 3.5Å; L27-T94 HydrophobicContact CD2-CG2 4.22Å; L27-L97 HydrophobicContact CD2-CB 3.98Å; L27-L97 HydrophobicContact CG-CB 4.2Å; L27-A98 HydrophobicContact CD2-CB 4.26Å; L27-A101 HydrophobicContact CD1-CB 3.59Å |
| 28 | C | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.4 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | L24 K25 V31 C32 V145 | L24-C28 PolarHBondContact O-N 3.38Å; L24-C28 PolarHBondContact O-SG 3.24Å; L24-C28 VanDerWaalsContact O-SG 3.37Å; K25-C28 PolarHBondContact O-N 3.37Å; C28-V31 PolarHBondContact O-N 3.01Å; C28-C32 PolarHBondContact O-N 3.4Å; C28-C32 PolarHBondContact O-SG 3.44Å; C28-V145 HydrophobicContact CB-CG2 3.56Å |
| 29 | D | 98.4 | Very high | 98 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.6 | -74.5 | -34.3 | 0 | 0 | 0 | 110.9 | K25 L27 V31 C32 D33 K144 | K25-D29 IonicContact NZ-OD2 3.72Å; K25-D29 PolarHBondContact NZ-OD2 2.96Å; K25-D29 PolarHBondContact O-N 3.06Å; L27-D29 PolarHBondContact O-N 3.08Å; D29-V31 PolarHBondContact O-N 3.04Å; D29-C32 WeakPolarHBondContact O-CB 3.19Å; D29-C32 PolarHBondContact O-N 3.47Å; D29-D33 PolarHBondContact O-N 2.88Å; D29-D33 VanDerWaalsContact O-N 3.13Å; D29-K144 IonicContact OD1-NZ 2.91Å; D29-K144 PolarHBondContact OD1-NZ 2.93Å |
| 30 | Y | 98.5 | Very high | 98 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 33% | 0.333 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.2 | -178.2 | -105.9 | 0 | 0 | 0 | 112.8 | L4 L6 R26 L27 D33 L34 A101 | L4-Y30 HydrophobicContact CD1-CD2 4.26Å; L4-Y30 HydrophobicContact CD1-CG 4.21Å; L6-Y30 HydrophobicContact CD1-CE1 4.39Å; R26-Y30 WeakPolarHBondContact O-CB 3.36Å; R26-Y30 PolarHBondContact O-N 2.84Å; L27-Y30 PolarHBondContact O-N 3.15Å; Y30-D33 PolarHBondContact O-N 3.19Å; Y30-L34 HydrophobicContact CD1-CD1 4.1Å; Y30-L34 HydrophobicContact CE1-CD1 3.7Å; Y30-L34 HydrophobicContact CE1-CG 4.24Å; Y30-L34 PolarHBondContact O-N 3.32Å; Y30-L34 VanDerWaalsContact O-N 3.14Å; Y30-A101 HydrophobicContact CD1-CB 3.74Å; Y30-A101 HydrophobicContact CE1-CB 3.84Å |
| 31 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.5 | -34 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | L27 C28 D29 D33 L34 L35 L97 K100 A101 V145 | L27-V31 HydrophobicContact CD1-CG2 4.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.1Å; L27-V31 PolarHBondContact O-N 3.5Å; C28-V31 PolarHBondContact O-N 3.01Å; D29-V31 PolarHBondContact O-N 3.04Å; V31-D33 VanDerWaalsContact C-N 3.27Å; V31-D33 PolarHBondContact O-N 3.27Å; V31-L34 PolarHBondContact O-N 3.13Å; V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 3.93Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 2.86Å; V31-L97 HydrophobicContact CB-CD2 4.4Å; V31-L97 HydrophobicContact CG1-CD2 3.84Å; V31-L97 HydrophobicContact CG2-CB 4.34Å; V31-L97 HydrophobicContact CG2-CD2 4.44Å; V31-K100 HydrophobicContact CG1-CG 4.08Å; V31-A101 HydrophobicContact CG2-CB 3.9Å; V31-V145 HydrophobicContact CG1-CG1 4.18Å |
| 32 | C | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -44 | 170.7 | -69 | 0 | 0 | 0 | 0 | 111.3 | C28 D29 L34 L35 L36 M148 | C28-C32 PolarHBondContact O-N 3.4Å; C28-C32 PolarHBondContact O-SG 3.44Å; D29-C32 WeakPolarHBondContact O-CB 3.19Å; D29-C32 PolarHBondContact O-N 3.47Å; C32-L34 VanDerWaalsContact C-N 3.34Å; C32-L34 PolarHBondContact O-N 3.16Å; C32-L35 PolarHBondContact O-N 2.75Å; C32-L36 WeakPolarHBondContact O-CB 3.48Å; C32-L36 PolarHBondContact O-N 2.58Å; C32-M148 HydrophobicContact CB-CG 4.36Å |
| 33 | D | 97.9 | Very high | 98.2 | Very high | 105 Ų | 105 | 45.2 Ų | 45.2 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.5 | -40 | 178.8 | -63.8 | -21.8 | 0 | 0 | 0 | 111.4 | D29 Y30 V31 L36 | D29-D33 PolarHBondContact O-N 2.88Å; D29-D33 VanDerWaalsContact O-N 3.13Å; Y30-D33 PolarHBondContact O-N 3.19Å; V31-D33 VanDerWaalsContact C-N 3.27Å; V31-D33 PolarHBondContact O-N 3.27Å; D33-L36 PolarHBondContact O-N 2.73Å |
| 34 | L | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 174.4 | -66.2 | 174.9 | 0 | 0 | 0 | 112 | Y30 V31 C32 L36 E37 P104 | Y30-L34 HydrophobicContact CD1-CD1 4.1Å; Y30-L34 HydrophobicContact CE1-CD1 3.7Å; Y30-L34 HydrophobicContact CE1-CG 4.24Å; Y30-L34 PolarHBondContact O-N 3.32Å; Y30-L34 VanDerWaalsContact O-N 3.14Å; V31-L34 PolarHBondContact O-N 3.13Å; C32-L34 VanDerWaalsContact C-N 3.34Å; C32-L34 PolarHBondContact O-N 3.16Å; L34-L36 PolarHBondContact O-N 3.46Å; L34-E37 PolarHBondContact O-N 3.21Å; L34-P104 HydrophobicContact CD1-CB 4.33Å |
| 35 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -24 | -178.6 | -70 | 174.5 | 0 | 0 | 0 | 112.1 | V31 C32 E37 E38 V145 M148 L149 R181 | V31-L35 HydrophobicContact CG1-CD1 3.74Å; V31-L35 HydrophobicContact CG1-CG 3.93Å; V31-L35 WeakPolarHBondContact O-CB 3.36Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 2.86Å; C32-L35 PolarHBondContact O-N 2.75Å; L35-E37 PolarHBondContact O-N 3.44Å; L35-E38 VanDerWaalsContact CD2-OE2 3.29Å; L35-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L35-E38 PolarHBondContact O-N 2.96Å; L35-V145 HydrophobicContact CD1-CG1 3.81Å; L35-M148 HydrophobicContact CB-CB 3.76Å; L35-M148 HydrophobicContact CD1-CB 3.95Å; L35-L149 HydrophobicContact CD1-CD2 4.03Å; L35-R181 PolarHBondContact O-NH2 3.27Å |
| 36 | L | 96.8 | Very high | 98.2 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 56% | 0.56 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -32.5 | 174.8 | -176.1 | 64.3 | 0 | 0 | 0 | 112.2 | C32 D33 L34 M148 | C32-L36 WeakPolarHBondContact O-CB 3.48Å; C32-L36 PolarHBondContact O-N 2.58Å; D33-L36 PolarHBondContact O-N 2.73Å; L34-L36 PolarHBondContact O-N 3.46Å; L36-M148 HydrophobicContact CB-CE 3.71Å; L36-M148 HydrophobicContact CD1-CE 3.48Å; L36-M148 VanDerWaalsContact CD1-CE 3.48Å; L36-M148 HydrophobicContact CG-CE 4.2Å |
| 37 | E | 96.8 | Very high | 98.2 | Very high | 165 Ų | 165 | 47.3 Ų | 47.3 | 77% | 0.771 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.3 | 179.8 | -59.1 | -63.2 | 146.8 | 0 | 0 | 113 | L34 L35 | L34-E37 PolarHBondContact O-N 3.21Å; L35-E37 PolarHBondContact O-N 3.44Å |
| 38 | E | 97.9 | Very high | 98.3 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.4 | 144.5 | -179.5 | -64.4 | -160.2 | 148.8 | 0 | 0 | 112.8 | L35 K100 T150 R181 | L35-E38 VanDerWaalsContact CD2-OE2 3.29Å; L35-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L35-E38 PolarHBondContact O-N 2.96Å; E38-K100 WeakPolarHBondContact OE1-CE 3.49Å; E38-K100 IonicContact OE1-NZ 3.36Å; E38-K100 PolarHBondContact OE1-NZ 2.81Å; E38-K100 IonicContact OE2-NZ 2.99Å; E38-T150 HydrophobicContact CB-CG2 3.66Å; E38-T150 VanDerWaalsContact OE2-CG2 3.29Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.15Å; E38-R181 PolarHBondContact O-NH1 3.3Å; E38-R181 PolarHBondContact O-NH2 3.17Å |
| 39 | S | 97.7 | Very high | 98.3 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | trans | -72.1 | 157.9 | 176.5 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | V41 T150 R181 | S39-V41 WeakPolarHBondContact CB-O 3.39Å; S39-V41 PolarHBondContact O-N 3.25Å; S39-V41 PolarHBondContact OG-N 2.86Å; S39-T150 WeakPolarHBondContact O-CG2 3.41Å; S39-R181 PolarHBondContact O-NH1 2.74Å | ||
| 40 | N | 98.5 | Very high | 98.3 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -62 | -29.9 | 168.2 | -78.7 | -27.9 | 0 | 0 | 0 | 112.6 | V151 A152 R177 I179 R181 | N40-V151 HydrophobicContact CB-CG2 4.44Å; N40-V151 PolarHBondContact O-N 3.43Å; N40-A152 PolarHBondContact O-N 2.74Å; N40-R177 PolarHBondContact ND2-O 2.74Å; N40-I179 PolarHBondContact ND2-O 3.18Å; N40-R181 VanDerWaalsContact N-NH1 3.17Å; N40-R181 WeakPolarHBondContact OD1-CB 3.37Å; N40-R181 WeakPolarHBondContact OD1-CD 3.41Å; N40-R181 WeakPolarHBondContact OD1-CG 3.33Å; N40-R181 PolarHBondContact OD1-NH1 3.46Å |
| 41 | V | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 89 | 171.5 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | S39 P43 A152 L154 I176 R177 | S39-V41 WeakPolarHBondContact CB-O 3.39Å; S39-V41 PolarHBondContact O-N 3.25Å; S39-V41 PolarHBondContact OG-N 2.86Å; V41-P43 WeakPolarHBondContact O-CD 3.29Å; V41-A152 CarbonylContact C-O 3.14Å; V41-A152 WeakPolarHBondContact CA-O 3.35Å; V41-A152 HydrophobicContact CG1-CB 4.46Å; V41-A152 HydrophobicContact CG2-CB 4.29Å; V41-L154 HydrophobicContact CG1-CB 3.78Å; V41-I176 HydrophobicContact CG2-CB 3.65Å; V41-I176 HydrophobicContact CG2-CG2 3.53Å; V41-R177 HydrophobicContact CB-CG 3.99Å; V41-R177 HydrophobicContact CG2-CG 3.67Å |
| 42 | Q | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.7 | -173.3 | -174.1 | 61.4 | 12.7 | 0 | 0 | 110.6 | T108 T150 A152 A153 L154 | Q42-T108 HydrophobicContact CB-CG2 4.05Å; Q42-T108 HydrophobicContact CG-CG2 3.96Å; Q42-T150 HydrophobicContact CB-CG2 4.39Å; Q42-A152 PolarHBondContact N-O 3.17Å; Q42-A153 CarbonylContact O-C 3.6Å; Q42-A153 VanDerWaalsContact O-CA 3.25Å; Q42-A153 WeakPolarHBondContact O-CA 3.1Å; Q42-L154 PolarHBondContact O-N 2.78Å |
| 43 | P | 98.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.5 | 174.4 | 28.9 | -33.7 | 0 | 0 | 0 | 110.3 | V41 | V41-P43 WeakPolarHBondContact O-CD 3.29Å |
| 44 | V | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.109 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.5 | 178.6 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | V48 I77 T108 A153 L154 I155 D156 | V44-V48 HydrophobicContact CG1-CB 4.23Å; V44-V48 HydrophobicContact CG1-CG1 4.37Å; V44-V48 HydrophobicContact CG1-CG2 3.92Å; V44-I77 HydrophobicContact CB-CD1 3.98Å; V44-I77 HydrophobicContact CG1-CD1 3.89Å; V44-I77 HydrophobicContact CG1-CG1 4.16Å; V44-I77 HydrophobicContact CG2-CD1 3.91Å; V44-I77 HydrophobicContact CG2-CG1 4.16Å; V44-T108 HydrophobicContact CG2-CG2 4.44Å; V44-A153 HydrophobicContact CG2-CB 4.18Å; V44-L154 PolarHBondContact N-O 2.96Å; V44-I155 CarbonylContact O-C 3.5Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.05Å; V44-D156 PolarHBondContact O-N 3.49Å |
| 45 | S | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 58% | 0.58 | 20% | 0.199 | S | C | * | . | P | Polyproline II helix | trans | -101.2 | 146.7 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | D156 | S45-D156 VanDerWaalsContact CA-OD1 3.29Å; S45-D156 WeakPolarHBondContact CA-OD1 3.47Å |
| 46 | T | 98.3 | Very high | 98.4 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -70.5 | 154.1 | 167.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | V48 I155 D156 F274 K275 | T46-V48 HydrophobicContact CG2-CG1 4.31Å; T46-I155 HydrophobicContact CG2-CG2 3.55Å; T46-D156 VanDerWaalsContact CB-OD2 3.29Å; T46-D156 WeakPolarHBondContact CB-OD2 3.46Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.01Å; T46-D156 PolarHBondContact N-OD1 2.97Å; T46-D156 PolarHBondContact N-OD2 3.49Å; T46-D156 PolarHBondContact OG1-OD2 2.84Å; T46-F274 HydrophobicContact CG2-CB 3.91Å; T46-K275 WeakPolarHBondContact CB-O 3.44Å |
| 47 | P | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 54% | 0.539 | 17% | 0.173 | S | C | . | . | S | Bend | cis | -74.1 | 143.9 | -2.4 | 31.7 | -35.6 | 0 | 0 | 0 | 112.6 | N75 F274 | P47-N75 WeakPolarHBondContact O-CB 3.17Å; P47-N75 PolarHBondContact O-ND2 2.96Å; P47-F274 CarbonylContact C-O 3.19Å; P47-F274 VanDerWaalsContact CA-O 3.25Å; P47-F274 WeakPolarHBondContact CA-O 3.29Å |
| 48 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147.1 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | V44 T46 N75 I77 I155 F274 | V44-V48 HydrophobicContact CG1-CB 4.23Å; V44-V48 HydrophobicContact CG1-CG1 4.37Å; V44-V48 HydrophobicContact CG1-CG2 3.92Å; T46-V48 HydrophobicContact CG2-CG1 4.31Å; V48-N75 HydrophobicContact CB-CB 4.25Å; V48-N75 HydrophobicContact CG2-CB 4.06Å; V48-I77 HydrophobicContact CG1-CD1 4.49Å; V48-I77 HydrophobicContact CG2-CD1 4.04Å; V48-I77 HydrophobicContact CG2-CG1 3.79Å; V48-I155 HydrophobicContact CG1-CD1 3.8Å; V48-I155 HydrophobicContact CG1-CG1 4.18Å; V48-I155 HydrophobicContact CG1-CG2 3.86Å; V48-F274 HydrophobicContact CG1-CB 4.21Å; V48-F274 PolarHBondContact N-O 3.23Å; V48-F274 PolarHBondContact O-N 3.43Å |
| 49 | T | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.8 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | N75 Y76 I77 I271 V273 | T49-N75 PolarHBondContact N-O 2.83Å; T49-Y76 HydrophobicContact CG2-CD1 3.93Å; T49-Y76 HydrophobicContact CG2-CE1 3.5Å; T49-Y76 VanDerWaalsContact CG2-CE1 3.5Å; T49-Y76 CarbonylContact O-C 3.52Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.46Å; T49-I77 PolarHBondContact O-N 2.99Å; T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.8Å; T49-I271 HydrophobicContact CG2-CG1 4.12Å; T49-I271 HydrophobicContact CG2-CG2 4.36Å; T49-V273 HydrophobicContact CG2-CG2 4.24Å |
| 50 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.9 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | I77 M79 I155 M272 F274 | V50-I77 CarbonylContact C-O 3.58Å; V50-I77 WeakPolarHBondContact CA-O 3.44Å; V50-I77 HydrophobicContact CG2-CB 4.32Å; V50-I77 HydrophobicContact CG2-CD1 4.26Å; V50-M79 HydrophobicContact CG1-CE 3.61Å; V50-M79 HydrophobicContact CG1-CG 3.9Å; V50-M79 HydrophobicContact CG1-SD 3.59Å; V50-M79 VanDerWaalsContact CG1-SD 3.59Å; V50-I155 HydrophobicContact CG2-CD1 3.75Å; V50-M272 HydrophobicContact CB-CB 4.4Å; V50-M272 PolarHBondContact N-O 2.86Å; V50-M272 PolarHBondContact O-N 2.85Å; V50-F274 HydrophobicContact CB-CE2 4.26Å; V50-F274 HydrophobicContact CG2-CD2 3.81Å; V50-F274 HydrophobicContact CG2-CE2 3.64Å |
| 51 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140 | -177.7 | -54 | 0 | 0 | 0 | 0 | 110.3 | L64 Y76 I77 F78 M79 I271 | C51-L64 HydrophobicContact CB-CD1 4.14Å; C51-Y76 VanDerWaalsContact SG-CD1 3.56Å; C51-I77 PolarHBondContact N-O 2.7Å; C51-F78 HydrophobicContact CB-CD1 3.53Å; C51-F78 HydrophobicContact CB-CE1 3.75Å; C51-F78 HydrophobicContact CB-CG 4.11Å; C51-F78 HydrophobicContact CB-CZ 4.48Å; C51-M79 WeakPolarHBondContact O-CB 3.45Å; C51-M79 WeakPolarHBondContact O-CG 3.42Å; C51-M79 PolarHBondContact O-N 2.72Å; C51-I271 HydrophobicContact CB-CG2 4.36Å; C51-I271 VanDerWaalsContact SG-CG2 3.59Å |
| 52 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -90.7 | -149.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V255 S257 | G52-V255 WeakPolarHBondContact CA-O 3.39Å; G52-S257 PolarHBondContact N-OG 3.14Å | ||
| 53 | D | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -58.7 | 141.7 | -175.6 | -55.6 | 32.1 | 0 | 0 | 0 | 112.6 | H55 D81 H163 A236 H237 W256 S257 A258 | D53-H55 IonicContact OD2-NE2 3.26Å; D53-D81 HydrophobicContact CB-CB 4.06Å; D53-H163 IonicContact OD1-CE1 3.76Å; D53-H163 PolarHBondContact OD1-CE1 2.85Å; D53-H163 IonicContact OD2-CE1 3.48Å; D53-A236 WeakPolarHBondContact OD1-CB 3.17Å; D53-H237 PolarHBondContact OD1-N 3.17Å; D53-H237 WeakPolarHBondContact OD2-CA 3.29Å; D53-W256 HydrophobicContact CB-CD2 4.46Å; D53-W256 HydrophobicContact CB-CE3 4.04Å; D53-W256 HydrophobicContact CB-CH2 3.88Å; D53-W256 HydrophobicContact CB-CZ2 4.31Å; D53-W256 HydrophobicContact CB-CZ3 3.75Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.17Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.37Å; D53-S257 CarbonylContact O-C 3.46Å; D53-S257 WeakPolarHBondContact O-CA 3.3Å; D53-S257 WeakPolarHBondContact O-CB 3.3Å; D53-S257 PolarHBondContact O-N 3.12Å; D53-A258 PolarHBondContact O-N 3.39Å | ||
| 54 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | -118.9 | -37.4 | -179.9 | -52.7 | -62 | 0 | 0 | 0 | 111.8 | G56 Q57 L61 L64 F78 D81 T92 | I54-G56 PolarHBondContact O-N 2.88Å; I54-Q57 WeakPolarHBondContact O-CB 3.33Å; I54-Q57 PolarHBondContact O-N 3.27Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; I54-L61 HydrophobicContact CD1-CD1 4.27Å; I54-L61 HydrophobicContact CG2-CB 4.05Å; I54-L64 HydrophobicContact CD1-CD1 3.78Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.25Å; I54-F78 HydrophobicContact CG1-CD1 4.28Å; I54-D81 PolarHBondContact N-O 2.86Å; I54-T92 HydrophobicContact CB-CG2 4.33Å; I54-T92 HydrophobicContact CG2-CG2 3.51Å | ||
| 55 | H | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 51.6 | 172.3 | -78.9 | -54.6 | 0 | 0 | 0 | 114.6 | D53 Q57 D81 V83 D84 R85 G86 H114 W256 Y261 | D53-H55 IonicContact OD2-NE2 3.26Å; H55-Q57 PolarHBondContact O-N 2.79Å; H55-D81 IonicContact CE1-OD2 2.78Å; H55-D81 PolarHBondContact N-O 3.33Å; H55-D81 IonicContact NE2-OD2 2.7Å; H55-V83 PolarHBondContact ND1-O 2.66Å; H55-D84 CarbonylContact C-O 3.48Å; H55-D84 WeakPolarHBondContact CA-O 3.36Å; H55-D84 WeakPolarHBondContact CB-O 3.32Å; H55-D84 VanDerWaalsContact O-O 3.08Å; H55-R85 HydrophobicContact CB-CB 4.18Å; H55-R85 HydrophobicContact CB-CG 4.45Å; H55-G86 WeakPolarHBondContact O-CA 3.19Å; H55-G86 PolarHBondContact O-N 3.06Å; H55-H114 AromaticContact CE1-CD2 3.52Å; H55-H114 AromaticContact CE1-CG 3.83Å; H55-H114 AromaticContact CE1-NE2 3.68Å; H55-W256 AromaticContact CD2-CH2 3.97Å; H55-Y261 HydrophobicContact CB-CD2 4.46Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.19Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.47Å; H55-Y261 AromaticContact CD2-CZ 3.62Å; H55-Y261 PolarHBondContact CD2-OH 2.83Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.87Å; H55-Y261 AromaticContact NE2-CZ 3.79Å; H55-Y261 PolarHBondContact NE2-OH 2.85Å; H55-Y261 VanDerWaalsContact NE2-OH 3.12Å |
| 56 | G | 97.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 16.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I54 F58 F82 Y88 | I54-G56 PolarHBondContact O-N 2.88Å; G56-F58 VanDerWaalsContact C-N 3.25Å; G56-F58 PolarHBondContact O-N 2.97Å; G56-F58 VanDerWaalsContact O-N 3.07Å; G56-F82 PolarHBondContact N-O 3.48Å; G56-Y88 CarbonylContact O-C 3.33Å; G56-Y88 WeakPolarHBondContact O-CA 3.44Å; G56-Y88 WeakPolarHBondContact O-CB 3.37Å; G56-Y88 PolarHBondContact O-N 2.86Å; G56-Y88 VanDerWaalsContact O-N 3.08Å |
| 57 | Q | 98.3 | Very high | 98.6 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | trans | -84.2 | 65.6 | 175.3 | -64.9 | -167.3 | -174.5 | 0 | 0 | 111 | I54 H55 Y59 D60 L61 P259 Y263 | I54-Q57 WeakPolarHBondContact O-CB 3.33Å; I54-Q57 PolarHBondContact O-N 3.27Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; H55-Q57 PolarHBondContact O-N 2.79Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 3.38Å; Q57-D60 HydrophobicContact CB-CB 4.08Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.21Å; Q57-D60 PolarHBondContact NE2-OD2 2.91Å; Q57-D60 WeakPolarHBondContact O-CA 3.44Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 3.42Å; Q57-L61 PolarHBondContact O-N 3.43Å; Q57-P259 PolarHBondContact NE2-O 3.22Å; Q57-Y263 HydrophobicContact CG-CE1 4.37Å | ||
| 58 | F | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -50.4 | -45 | -172.5 | -179.5 | -89.4 | 0 | 0 | 0 | 114.6 | A13 C16 G56 D60 L61 C62 Y88 E91 T92 Y95 | A13-F58 VanDerWaalsContact O-CE2 3.31Å; A13-F58 WeakPolarHBondContact O-CE2 3.44Å; A13-F58 WeakPolarHBondContact O-CZ 3.31Å; C16-F58 HydrophobicContact CB-CD1 3.55Å; C16-F58 HydrophobicContact CB-CE1 3.39Å; C16-F58 HydrophobicContact CB-CG 4.33Å; C16-F58 HydrophobicContact CB-CZ 4.05Å; C16-F58 VanDerWaalsContact SG-CD1 3.51Å; G56-F58 VanDerWaalsContact C-N 3.25Å; G56-F58 PolarHBondContact O-N 2.97Å; G56-F58 VanDerWaalsContact O-N 3.07Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.23Å; F58-L61 WeakPolarHBondContact O-CB 3.48Å; F58-L61 PolarHBondContact O-N 2.88Å; F58-L61 VanDerWaalsContact O-N 3.16Å; F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 3.14Å; F58-Y88 HydrophobicContact CB-CG 4.19Å; F58-E91 HydrophobicContact CD2-CB 3.8Å; F58-E91 HydrophobicContact CE2-CB 4.16Å; F58-E91 HydrophobicContact CG-CB 4.39Å; F58-T92 WeakPolarHBondContact CA-OG1 3.29Å; F58-T92 PolarHBondContact N-OG1 3.16Å; F58-Y95 HydrophobicContact CE2-CD1 4.23Å; F58-Y95 HydrophobicContact CE2-CG 4.36Å |
| 59 | Y | 98.3 | Very high | 98.5 | Very high | 43 Ų | 43 | 17 Ų | 17 | 17% | 0.169 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 179.6 | -64.3 | -83 | 0 | 0 | 0 | 112.2 | Q57 C62 E63 Y88 V288 R293 V294 | Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 3.38Å; Y59-C62 WeakPolarHBondContact O-CB 3.31Å; Y59-C62 PolarHBondContact O-N 2.85Å; Y59-E63 PolarHBondContact O-N 2.7Å; Y59-E63 VanDerWaalsContact O-N 3.15Å; Y59-Y88 HydrophobicContact CD2-CD2 4.35Å; Y59-Y88 HydrophobicContact CD2-CE2 4.25Å; Y59-Y88 HydrophobicContact CE2-CD2 4.02Å; Y59-Y88 AromaticContact CE2-CE2 3.59Å; Y59-Y88 HydrophobicContact CE2-CE2 3.59Å; Y59-V288 WeakPolarHBondContact O-CG2 3.39Å; Y59-R293 HydrophobicContact CD2-CB 4.11Å; Y59-R293 HydrophobicContact CD2-CG 3.96Å; Y59-R293 HydrophobicContact CE2-CB 4.21Å; Y59-R293 HydrophobicContact CG-CB 4.45Å; Y59-R293 HydrophobicContact CG-CG 3.99Å; Y59-V294 WeakPolarHBondContact OH-CB 3.39Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.19Å; Y59-V294 PolarHBondContact OH-N 3.21Å |
| 60 | D | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -75.3 | -30.3 | 175.9 | -58.4 | -55.1 | 0 | 0 | 0 | 111.6 | Q57 F58 C62 E63 L64 P259 A287 V288 R293 | Q57-D60 HydrophobicContact CB-CB 4.08Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.21Å; Q57-D60 PolarHBondContact NE2-OD2 2.91Å; Q57-D60 WeakPolarHBondContact O-CA 3.44Å; Q57-D60 WeakPolarHBondContact O-CB 3.4Å; Q57-D60 PolarHBondContact O-N 3.42Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 3.23Å; D60-C62 VanDerWaalsContact C-N 3.31Å; D60-C62 PolarHBondContact O-N 2.97Å; D60-E63 WeakPolarHBondContact O-CB 3.14Å; D60-E63 PolarHBondContact O-N 3.37Å; D60-L64 WeakPolarHBondContact O-CB 3.33Å; D60-L64 PolarHBondContact O-N 3.47Å; D60-P259 HydrophobicContact CB-CG 3.8Å; D60-A287 WeakPolarHBondContact OD1-CA 3.36Å; D60-V288 PolarHBondContact OD1-N 3.01Å; D60-R293 IonicContact OD1-CZ 3.81Å; D60-R293 IonicContact OD1-NH1 3.57Å; D60-R293 IonicContact OD1-NH2 2.77Å; D60-R293 PolarHBondContact OD1-NH2 3.28Å; D60-R293 IonicContact OD2-CZ 2.76Å; D60-R293 IonicContact OD2-NH1 3.33Å; D60-R293 PolarHBondContact OD2-NH1 3.49Å; D60-R293 IonicContact OD2-NH2 2.67Å; D60-R293 PolarHBondContact OD2-NH2 2.94Å |
| 61 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 167.7 | 176.1 | 63.6 | 0 | 0 | 0 | 111.4 | I54 Q57 F58 E63 L64 F65 F78 T92 Y95 L96 | I54-L61 HydrophobicContact CD1-CD1 4.27Å; I54-L61 HydrophobicContact CG2-CB 4.05Å; Q57-L61 PolarHBondContact O-N 3.43Å; F58-L61 WeakPolarHBondContact O-CB 3.48Å; F58-L61 PolarHBondContact O-N 2.88Å; F58-L61 VanDerWaalsContact O-N 3.16Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.48Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; L61-L64 HydrophobicContact CD1-CD2 4.47Å; L61-L64 WeakPolarHBondContact O-CB 3.28Å; L61-L64 PolarHBondContact O-N 2.93Å; L61-F65 HydrophobicContact CD1-CD2 4.13Å; L61-F65 HydrophobicContact CD1-CE2 3.56Å; L61-F65 HydrophobicContact CD1-CZ 4.08Å; L61-F65 HydrophobicContact CD2-CE2 4.18Å; L61-F65 HydrophobicContact CG-CD2 4.11Å; L61-F65 HydrophobicContact CG-CE2 3.69Å; L61-F65 WeakPolarHBondContact O-CD2 3.35Å; L61-F65 PolarHBondContact O-N 2.93Å; L61-F65 VanDerWaalsContact O-N 3.12Å; L61-F78 HydrophobicContact CD1-CE1 3.77Å; L61-F78 HydrophobicContact CD1-CZ 4.14Å; L61-T92 HydrophobicContact CD2-CG2 3.87Å; L61-Y95 HydrophobicContact CD2-CD1 4.07Å; L61-L96 HydrophobicContact CD1-CD2 4.39Å; L61-L96 HydrophobicContact CD2-CD2 4.19Å; L61-L96 HydrophobicContact CD2-CG 4.2Å |
| 62 | C | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 22.7 Ų | 22.7 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 172.8 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | F58 Y59 D60 F65 R66 | F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 3.14Å; Y59-C62 WeakPolarHBondContact O-CB 3.31Å; Y59-C62 PolarHBondContact O-N 2.85Å; D60-C62 VanDerWaalsContact C-N 3.31Å; D60-C62 PolarHBondContact O-N 2.97Å; C62-F65 PolarHBondContact O-N 2.85Å; C62-R66 WeakPolarHBondContact O-CG 3.37Å; C62-R66 PolarHBondContact O-N 3.16Å |
| 63 | E | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | 175.3 | -171.1 | 58.3 | -158.7 | 0 | 0 | 112.7 | Y59 D60 L61 F65 R66 T67 F285 V288 | Y59-E63 PolarHBondContact O-N 2.7Å; Y59-E63 VanDerWaalsContact O-N 3.15Å; D60-E63 WeakPolarHBondContact O-CB 3.14Å; D60-E63 PolarHBondContact O-N 3.37Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.48Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 2.8Å; E63-R66 WeakPolarHBondContact O-CB 3.39Å; E63-R66 PolarHBondContact O-N 2.93Å; E63-R66 VanDerWaalsContact O-N 3.11Å; E63-R66 WeakPolarHBondContact OE2-CD 3.33Å; E63-R66 IonicContact OE2-CZ 3.53Å; E63-R66 IonicContact OE2-NH1 2.76Å; E63-R66 PolarHBondContact OE2-NH1 2.88Å; E63-T67 WeakPolarHBondContact O-CB 3.44Å; E63-T67 PolarHBondContact O-N 3.36Å; E63-T67 PolarHBondContact O-OG1 3.48Å; E63-F285 HydrophobicContact CB-CD2 4.38Å; E63-F285 HydrophobicContact CG-CB 4.37Å; E63-F285 HydrophobicContact CG-CD2 4.05Å; E63-V288 HydrophobicContact CB-CG2 3.86Å; E63-V288 HydrophobicContact CG-CG2 4.42Å |
| 64 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 171.6 | 179.9 | 160.9 | 0 | 0 | 0 | 111.1 | C51 I54 D60 L61 T67 G68 Y76 F78 I271 F285 | C51-L64 HydrophobicContact CB-CD1 4.14Å; I54-L64 HydrophobicContact CD1-CD1 3.78Å; D60-L64 WeakPolarHBondContact O-CB 3.33Å; D60-L64 PolarHBondContact O-N 3.47Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; L61-L64 HydrophobicContact CD1-CD2 4.47Å; L61-L64 WeakPolarHBondContact O-CB 3.28Å; L61-L64 PolarHBondContact O-N 2.93Å; L64-T67 PolarHBondContact O-N 3.18Å; L64-G68 PolarHBondContact O-N 3.07Å; L64-Y76 HydrophobicContact CD2-CE1 3.83Å; L64-F78 HydrophobicContact CD1-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CE1 4.27Å; L64-F78 HydrophobicContact CD2-CZ 4.18Å; L64-I271 HydrophobicContact CD1-CG2 3.73Å; L64-I271 HydrophobicContact CD2-CG2 4.19Å; L64-I271 HydrophobicContact CG-CG2 3.61Å; L64-F285 HydrophobicContact CB-CE1 4.39Å; L64-F285 HydrophobicContact CB-CE2 4.22Å; L64-F285 HydrophobicContact CB-CZ 3.87Å; L64-F285 HydrophobicContact CD1-CZ 4.17Å; L64-F285 HydrophobicContact CG-CE1 4.45Å; L64-F285 HydrophobicContact CG-CZ 4.23Å |
| 65 | F | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.9 | -28 | 176.1 | -70.3 | -60.5 | 0 | 0 | 0 | 113.5 | L61 C62 E63 T67 G69 Q70 V71 Y76 F78 Y95 L96 L99 | L61-F65 HydrophobicContact CD1-CD2 4.13Å; L61-F65 HydrophobicContact CD1-CE2 3.56Å; L61-F65 HydrophobicContact CD1-CZ 4.08Å; L61-F65 HydrophobicContact CD2-CE2 4.18Å; L61-F65 HydrophobicContact CG-CD2 4.11Å; L61-F65 HydrophobicContact CG-CE2 3.69Å; L61-F65 WeakPolarHBondContact O-CD2 3.35Å; L61-F65 PolarHBondContact O-N 2.93Å; L61-F65 VanDerWaalsContact O-N 3.12Å; C62-F65 PolarHBondContact O-N 2.85Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 2.8Å; F65-T67 VanDerWaalsContact C-N 3.33Å; F65-G69 CarbonylContact O-C 3.58Å; F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 2.67Å; F65-Q70 PolarHBondContact O-NE2 2.99Å; F65-V71 HydrophobicContact CE1-CG2 4.2Å; F65-Y76 HydrophobicContact CD1-CE1 4.5Å; F65-Y76 AromaticContact CD1-CE2 3.98Å; F65-Y76 HydrophobicContact CD1-CE2 3.98Å; F65-Y76 AromaticContact CD1-CZ 3.88Å; F65-Y76 HydrophobicContact CE1-CD2 4.24Å; F65-Y76 HydrophobicContact CE1-CE1 4.44Å; F65-Y76 AromaticContact CE1-CE2 3.99Å; F65-Y76 HydrophobicContact CE1-CE2 3.99Å; F65-F78 HydrophobicContact CE1-CE2 4.35Å; F65-F78 AromaticContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CZ-CE2 4.26Å; F65-F78 AromaticContact CZ-CZ 3.7Å; F65-F78 HydrophobicContact CZ-CZ 3.7Å; F65-Y95 AromaticContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CE2-CD1 4.05Å; F65-Y95 AromaticContact CE2-CE1 3.52Å; F65-Y95 HydrophobicContact CE2-CE1 3.52Å; F65-Y95 HydrophobicContact CZ-CE1 4.49Å; F65-L96 HydrophobicContact CZ-CD2 4.22Å; F65-L99 HydrophobicContact CE1-CD1 4.29Å; F65-L99 HydrophobicContact CE2-CD1 4.09Å; F65-L99 HydrophobicContact CZ-CD1 3.6Å |
| 66 | R | 98.2 | Very high | 98.3 | Very high | 152 Ų | 152 | 32.2 Ų | 32.2 | 57% | 0.574 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.9 | -36.3 | 170.5 | -68 | -177.9 | -163.1 | 124.5 | -2.5 | 111.7 | C62 E63 | C62-R66 WeakPolarHBondContact O-CG 3.37Å; C62-R66 PolarHBondContact O-N 3.16Å; E63-R66 WeakPolarHBondContact O-CB 3.39Å; E63-R66 PolarHBondContact O-N 2.93Å; E63-R66 VanDerWaalsContact O-N 3.11Å; E63-R66 WeakPolarHBondContact OE2-CD 3.33Å; E63-R66 IonicContact OE2-CZ 3.53Å; E63-R66 IonicContact OE2-NH1 2.76Å; E63-R66 PolarHBondContact OE2-NH1 2.88Å |
| 67 | T | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.9 | -43.8 | -178.8 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | E63 L64 F65 I271 K283 F285 | E63-T67 WeakPolarHBondContact O-CB 3.44Å; E63-T67 PolarHBondContact O-N 3.36Å; E63-T67 PolarHBondContact O-OG1 3.48Å; L64-T67 PolarHBondContact O-N 3.18Å; F65-T67 VanDerWaalsContact C-N 3.33Å; T67-I271 HydrophobicContact CG2-CD1 4.12Å; T67-K283 HydrophobicContact CG2-CB 3.78Å; T67-K283 HydrophobicContact CG2-CD 4.23Å; T67-K283 WeakPolarHBondContact O-CD 3.32Å; T67-K283 PolarHBondContact O-NZ 3.45Å; T67-F285 HydrophobicContact CG2-CB 4.45Å |
| 68 | G | 98 | Very high | 98.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -86.4 | -32.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L64 Y76 | L64-G68 PolarHBondContact O-N 3.07Å; G68-Y76 VanDerWaalsContact C-OH 3.23Å; G68-Y76 VanDerWaalsContact CA-OH 3.28Å; G68-Y76 WeakPolarHBondContact CA-OH 3.44Å |
| 69 | G | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | trans | 119.5 | 160.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F65 Y76 | F65-G69 CarbonylContact O-C 3.58Å; F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 2.67Å; G69-Y76 PolarHBondContact N-OH 3.29Å; G69-Y76 PolarHBondContact O-OH 2.85Å | ||
| 70 | Q | 97.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 34% | 0.341 | 16% | 0.157 | S | C | . | . | trans | -90.4 | 149 | -180 | -62.2 | -65.7 | -46.1 | 0 | 0 | 111 | F65 D73 T74 | F65-Q70 PolarHBondContact O-NE2 2.99Å; Q70-D73 PolarHBondContact O-N 3.02Å; Q70-T74 PolarHBondContact O-N 2.77Å | ||
| 71 | V | 97.2 | Very high | 98.4 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 134.9 | 164.9 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | F65 Y76 L99 W103 R106 | F65-V71 HydrophobicContact CE1-CG2 4.2Å; V71-Y76 HydrophobicContact CG2-CD2 3.76Å; V71-Y76 HydrophobicContact CG2-CE2 4.11Å; V71-L99 HydrophobicContact CB-CD2 4.43Å; V71-L99 HydrophobicContact CG2-CD1 4.47Å; V71-W103 HydrophobicContact CB-CE3 4.25Å; V71-W103 HydrophobicContact CB-CZ3 4.44Å; V71-W103 HydrophobicContact CG1-CB 4.02Å; V71-W103 HydrophobicContact CG1-CD2 3.83Å; V71-W103 HydrophobicContact CG1-CE3 3.42Å; V71-W103 VanDerWaalsContact CG1-CE3 3.42Å; V71-W103 HydrophobicContact CG1-CG 4.13Å; V71-W103 HydrophobicContact CG1-CZ3 4.07Å; V71-R106 HydrophobicContact CG1-CB 4Å |
| 72 | P | 97.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 29.7 Ų | 29.7 | 29% | 0.286 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -95.7 | 2.7 | 13.4 | 37.6 | -35.6 | 0 | 0 | 0 | 116.3 | T74 W103 R106 | P72-T74 PolarHBondContact O-N 3.03Å; P72-W103 HydrophobicContact CB-CD2 4.09Å; P72-W103 HydrophobicContact CB-CG 3.95Å; P72-W103 HydrophobicContact CG-CZ2 4.12Å; P72-R106 HydrophobicContact CB-CG 4.1Å |
| 73 | D | 98.1 | Very high | 98.4 | Very high | 146 Ų | 146 | 28.6 Ų | 28.6 | 78% | 0.781 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.4 | -175.5 | -58.4 | -38.9 | 0 | 0 | 0 | 112.6 | Q70 | Q70-D73 PolarHBondContact O-N 3.02Š|
| 74 | T | 98.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 26 Ų | 26 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -120.5 | 133.5 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | Q70 P72 Y76 | Q70-T74 PolarHBondContact O-N 2.77Å; P72-T74 PolarHBondContact O-N 3.03Å; T74-Y76 HydrophobicContact CG2-CD2 4.1Å; T74-Y76 HydrophobicContact CG2-CE2 3.54Å; T74-Y76 WeakPolarHBondContact O-CD2 3.47Å |
| 75 | N | 98.7 | Very high | 98.2 | Very high | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | trans | -83.9 | 144.7 | 173.4 | -55 | -42.5 | 0 | 0 | 0 | 110.4 | P47 V48 T49 R106 | P47-N75 WeakPolarHBondContact O-CB 3.17Å; P47-N75 PolarHBondContact O-ND2 2.96Å; V48-N75 HydrophobicContact CB-CB 4.25Å; V48-N75 HydrophobicContact CG2-CB 4.06Å; T49-N75 PolarHBondContact N-O 2.83Å; N75-R106 CarbonylContact C-O 3.54Å; N75-R106 WeakPolarHBondContact CA-O 3.38Å; N75-R106 WeakPolarHBondContact OD1-CD 3.4Å; N75-R106 PolarHBondContact OD1-NH1 2.89Å | ||
| 76 | Y | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.4 | -176.5 | -80.5 | -86.7 | 0 | 0 | 0 | 114 | T49 C51 L64 F65 G68 G69 V71 T74 F78 R106 I107 T108 | T49-Y76 HydrophobicContact CG2-CD1 3.93Å; T49-Y76 HydrophobicContact CG2-CE1 3.5Å; T49-Y76 VanDerWaalsContact CG2-CE1 3.5Å; T49-Y76 CarbonylContact O-C 3.52Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.46Å; C51-Y76 VanDerWaalsContact SG-CD1 3.56Å; L64-Y76 HydrophobicContact CD2-CE1 3.83Å; F65-Y76 HydrophobicContact CD1-CE1 4.5Å; F65-Y76 AromaticContact CD1-CE2 3.98Å; F65-Y76 HydrophobicContact CD1-CE2 3.98Å; F65-Y76 AromaticContact CD1-CZ 3.88Å; F65-Y76 HydrophobicContact CE1-CD2 4.24Å; F65-Y76 HydrophobicContact CE1-CE1 4.44Å; F65-Y76 AromaticContact CE1-CE2 3.99Å; F65-Y76 HydrophobicContact CE1-CE2 3.99Å; G68-Y76 VanDerWaalsContact C-OH 3.23Å; G68-Y76 VanDerWaalsContact CA-OH 3.28Å; G68-Y76 WeakPolarHBondContact CA-OH 3.44Å; G69-Y76 PolarHBondContact N-OH 3.29Å; G69-Y76 PolarHBondContact O-OH 2.85Å; V71-Y76 HydrophobicContact CG2-CD2 3.76Å; V71-Y76 HydrophobicContact CG2-CE2 4.11Å; T74-Y76 HydrophobicContact CG2-CD2 4.1Å; T74-Y76 HydrophobicContact CG2-CE2 3.54Å; T74-Y76 WeakPolarHBondContact O-CD2 3.47Å; Y76-F78 AromaticContact CD1-CE2 3.89Å; Y76-F78 HydrophobicContact CD1-CE2 3.89Å; Y76-F78 HydrophobicContact CD1-CZ 4.03Å; Y76-F78 AromaticContact CG-CE2 3.88Å; Y76-F78 HydrophobicContact CG-CE2 3.88Å; Y76-F78 HydrophobicContact CG-CZ 4.4Å; Y76-R106 PolarHBondContact N-O 2.86Å; Y76-I107 CarbonylContact O-C 3.57Å; Y76-I107 WeakPolarHBondContact O-CA 3.45Å; Y76-T108 PolarHBondContact O-N 3.42Å |
| 77 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.8 | 161.8 | -58.8 | 170.3 | 0 | 0 | 0 | 107.1 | V44 V48 T49 V50 C51 M79 T108 L110 A153 I155 C161 | V44-I77 HydrophobicContact CB-CD1 3.98Å; V44-I77 HydrophobicContact CG1-CD1 3.89Å; V44-I77 HydrophobicContact CG1-CG1 4.16Å; V44-I77 HydrophobicContact CG2-CD1 3.91Å; V44-I77 HydrophobicContact CG2-CG1 4.16Å; V48-I77 HydrophobicContact CG1-CD1 4.49Å; V48-I77 HydrophobicContact CG2-CD1 4.04Å; V48-I77 HydrophobicContact CG2-CG1 3.79Å; T49-I77 PolarHBondContact O-N 2.99Å; V50-I77 CarbonylContact C-O 3.58Å; V50-I77 WeakPolarHBondContact CA-O 3.44Å; V50-I77 HydrophobicContact CG2-CB 4.32Å; V50-I77 HydrophobicContact CG2-CD1 4.26Å; C51-I77 PolarHBondContact N-O 2.7Å; I77-M79 HydrophobicContact CG2-CG 4.45Å; I77-T108 WeakPolarHBondContact CA-O 3.35Å; I77-L110 HydrophobicContact CG2-CD1 4.25Å; I77-L110 HydrophobicContact CG2-CG 4.21Å; I77-A153 HydrophobicContact CD1-CB 3.87Å; I77-A153 HydrophobicContact CG1-CB 4.47Å; I77-A153 HydrophobicContact CG2-CB 4.06Å; I77-I155 HydrophobicContact CD1-CD1 3.79Å; I77-I155 HydrophobicContact CD1-CG1 3.6Å; I77-C161 HydrophobicContact CG2-CB 4.3Å |
| 78 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.5 | 171.1 | -70.6 | -97.8 | 0 | 0 | 0 | 109.5 | C51 I54 L61 L64 F65 Y76 G80 F82 L96 I107 T108 L109 L110 | C51-F78 HydrophobicContact CB-CD1 3.53Å; C51-F78 HydrophobicContact CB-CE1 3.75Å; C51-F78 HydrophobicContact CB-CG 4.11Å; C51-F78 HydrophobicContact CB-CZ 4.48Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.25Å; I54-F78 HydrophobicContact CG1-CD1 4.28Å; L61-F78 HydrophobicContact CD1-CE1 3.77Å; L61-F78 HydrophobicContact CD1-CZ 4.14Å; L64-F78 HydrophobicContact CD1-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CE1 4.27Å; L64-F78 HydrophobicContact CD2-CZ 4.18Å; F65-F78 HydrophobicContact CE1-CE2 4.35Å; F65-F78 AromaticContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CE1-CZ 3.9Å; F65-F78 HydrophobicContact CZ-CE2 4.26Å; F65-F78 AromaticContact CZ-CZ 3.7Å; F65-F78 HydrophobicContact CZ-CZ 3.7Å; Y76-F78 AromaticContact CD1-CE2 3.89Å; Y76-F78 HydrophobicContact CD1-CE2 3.89Å; Y76-F78 HydrophobicContact CD1-CZ 4.03Å; Y76-F78 AromaticContact CG-CE2 3.88Å; Y76-F78 HydrophobicContact CG-CE2 3.88Å; Y76-F78 HydrophobicContact CG-CZ 4.4Å; F78-G80 VanDerWaalsContact C-N 3.3Å; F78-G80 PolarHBondContact O-N 2.82Å; F78-F82 HydrophobicContact CB-CE1 3.64Å; F78-F82 HydrophobicContact CB-CZ 4.15Å; F78-L96 HydrophobicContact CD1-CD2 4.32Å; F78-L96 HydrophobicContact CD2-CD2 4.19Å; F78-L96 HydrophobicContact CE1-CD2 4.02Å; F78-L96 HydrophobicContact CE2-CD2 3.86Å; F78-L96 HydrophobicContact CG-CD2 4.41Å; F78-L96 HydrophobicContact CZ-CD2 3.79Å; F78-I107 HydrophobicContact CD2-CD1 3.98Å; F78-I107 HydrophobicContact CD2-CG1 3.96Å; F78-I107 HydrophobicContact CE2-CD1 3.79Å; F78-I107 HydrophobicContact CE2-CG1 4.08Å; F78-T108 PolarHBondContact N-O 3.19Å; F78-L109 HydrophobicContact CB-CD2 3.99Å; F78-L109 HydrophobicContact CD2-CD2 4.06Å; F78-L109 HydrophobicContact CG-CD2 4.3Å; F78-L110 WeakPolarHBondContact O-CB 3.44Å; F78-L110 PolarHBondContact O-N 2.67Å |
| 79 | M | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -82.4 | 0.8 | -168.9 | -67.2 | -173.3 | -67.2 | 0 | 0 | 115.1 | V50 C51 I77 L110 C161 H163 C234 R235 A236 V255 | V50-M79 HydrophobicContact CG1-CE 3.61Å; V50-M79 HydrophobicContact CG1-CG 3.9Å; V50-M79 HydrophobicContact CG1-SD 3.59Å; V50-M79 VanDerWaalsContact CG1-SD 3.59Å; C51-M79 WeakPolarHBondContact O-CB 3.45Å; C51-M79 WeakPolarHBondContact O-CG 3.42Å; C51-M79 PolarHBondContact O-N 2.72Å; I77-M79 HydrophobicContact CG2-CG 4.45Å; M79-L110 HydrophobicContact CB-CD1 4.44Å; M79-L110 HydrophobicContact CG-CD1 4.15Å; M79-C161 HydrophobicContact CG-CB 4.43Å; M79-C161 HydrophobicContact SD-CB 4.22Å; M79-H163 WeakPolarHBondContact O-CA 3.4Å; M79-H163 WeakPolarHBondContact O-CB 3.48Å; M79-H163 PolarHBondContact O-ND1 2.78Å; M79-H163 VanDerWaalsContact O-ND1 3.16Å; M79-C234 HydrophobicContact SD-CB 4.38Å; M79-R235 WeakPolarHBondContact CE-O 3.41Å; M79-A236 HydrophobicContact CB-CB 3.96Å; M79-A236 HydrophobicContact CE-CB 3.96Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.34Å | ||
| 80 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 122.7 | -170.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F78 | F78-G80 VanDerWaalsContact C-N 3.3Å; F78-G80 PolarHBondContact O-N 2.82Å |
| 81 | D | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | trans | 53.3 | 57.8 | 179 | -74 | 7.1 | 0 | 0 | 0 | 111.8 | D53 I54 H55 G112 N113 H114 E115 H163 | D53-D81 HydrophobicContact CB-CB 4.06Å; I54-D81 PolarHBondContact N-O 2.86Å; H55-D81 IonicContact CE1-OD2 2.78Å; H55-D81 PolarHBondContact N-O 3.33Å; H55-D81 IonicContact NE2-OD2 2.7Å; D81-G112 VanDerWaalsContact OD1-CA 3.32Å; D81-G112 WeakPolarHBondContact OD1-CA 3.35Å; D81-N113 PolarHBondContact OD1-N 3.29Å; D81-N113 PolarHBondContact OD1-OD1 2.95Å; D81-N113 PolarHBondContact OD2-OD1 2.64Å; D81-H114 HydrophobicContact CB-CB 4.41Å; D81-H114 WeakPolarHBondContact OD1-CB 3.49Å; D81-H114 IonicContact OD1-CD2 2.66Å; D81-H114 IonicContact OD1-CG 2.98Å; D81-H114 PolarHBondContact OD1-N 2.95Å; D81-H114 IonicContact OD2-CD2 3.82Å; D81-H114 PolarHBondContact OD2-CD2 2.84Å; D81-E115 PolarHBondContact N-OE2 3.47Å; D81-H163 IonicContact OD1-CD2 3.69Å; D81-H163 IonicContact OD1-CE1 3.85Å; D81-H163 IonicContact OD1-NE2 2.88Å; D81-H163 PolarHBondContact OD1-NE2 3.48Å; D81-H163 VanDerWaalsContact OD1-NE2 3.13Å; D81-H163 IonicContact OD2-CE1 3.57Å; D81-H163 PolarHBondContact OD2-CE1 2.98Å; D81-H163 VanDerWaalsContact OD2-CE1 3.22Å; D81-H163 IonicContact OD2-NE2 2.64Å; D81-H163 PolarHBondContact OD2-NE2 2.82Å | ||
| 82 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -78 | -30.7 | 176.9 | -47.4 | -46.6 | 0 | 0 | 0 | 111.8 | G56 F78 F93 L96 L109 L110 E115 L149 | G56-F82 PolarHBondContact N-O 3.48Å; F78-F82 HydrophobicContact CB-CE1 3.64Å; F78-F82 HydrophobicContact CB-CZ 4.15Å; F82-F93 HydrophobicContact CB-CD2 4.01Å; F82-F93 AromaticContact CD2-CD2 3.58Å; F82-F93 HydrophobicContact CD2-CD2 3.58Å; F82-F93 AromaticContact CD2-CE2 3.6Å; F82-F93 HydrophobicContact CD2-CE2 3.6Å; F82-F93 HydrophobicContact CE2-CD2 4.45Å; F82-F93 HydrophobicContact CE2-CE2 4.1Å; F82-F93 HydrophobicContact CG-CD2 4.07Å; F82-L96 HydrophobicContact CB-CD1 4.33Å; F82-L96 HydrophobicContact CD1-CD1 3.61Å; F82-L96 HydrophobicContact CE1-CD1 4.15Å; F82-L96 HydrophobicContact CG-CD1 3.95Å; F82-L109 HydrophobicContact CE2-CB 4.46Å; F82-L109 HydrophobicContact CZ-CB 4.24Å; F82-L109 HydrophobicContact CZ-CD2 4.24Å; F82-L110 WeakPolarHBondContact CE2-O 3.45Å; F82-L110 VanDerWaalsContact CZ-O 3.26Å; F82-L110 WeakPolarHBondContact CZ-O 3.45Å; F82-E115 HydrophobicContact CD2-CG 4.02Å; F82-E115 HydrophobicContact CE2-CG 4.41Å; F82-E115 PolarHBondContact N-OE1 2.75Å; F82-L149 HydrophobicContact CE2-CD1 4Å | ||
| 83 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -112.7 | 176.9 | -169.9 | -57.1 | 0 | 0 | 0 | 0 | 113 | H55 F93 H114 E115 T120 F125 F146 | H55-V83 PolarHBondContact ND1-O 2.66Å; V83-F93 HydrophobicContact CG1-CB 4.02Å; V83-F93 HydrophobicContact CG1-CG 4.37Å; V83-H114 HydrophobicContact CG2-CB 4.34Å; V83-E115 PolarHBondContact N-OE1 2.69Å; V83-T120 HydrophobicContact CG2-CG2 3.76Å; V83-F125 HydrophobicContact CB-CB 4.11Å; V83-F125 HydrophobicContact CB-CD1 4.25Å; V83-F125 HydrophobicContact CB-CD2 4.16Å; V83-F125 HydrophobicContact CB-CG 3.91Å; V83-F125 HydrophobicContact CG1-CD1 4.24Å; V83-F125 HydrophobicContact CG1-CD2 4.08Å; V83-F125 HydrophobicContact CG1-CE1 4.25Å; V83-F125 HydrophobicContact CG1-CE2 4.07Å; V83-F125 HydrophobicContact CG1-CG 4.14Å; V83-F125 HydrophobicContact CG1-CZ 4.15Å; V83-F125 HydrophobicContact CG2-CB 4.32Å; V83-F125 HydrophobicContact CG2-CD1 4.23Å; V83-F125 HydrophobicContact CG2-CG 4.27Å; V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.13Å |
| 84 | D | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 65.2 | 166.6 | -176.6 | -65.2 | -38.5 | 0 | 0 | 0 | 114.2 | H55 G86 S89 H114 Y123 G124 F125 | H55-D84 CarbonylContact C-O 3.48Å; H55-D84 WeakPolarHBondContact CA-O 3.36Å; H55-D84 WeakPolarHBondContact CB-O 3.32Å; H55-D84 VanDerWaalsContact O-O 3.08Å; D84-G86 PolarHBondContact O-N 2.74Å; D84-S89 PolarHBondContact N-OG 2.95Å; D84-H114 VanDerWaalsContact CB-ND1 3.34Å; D84-H114 WeakPolarHBondContact CB-ND1 3.25Å; D84-H114 IonicContact OD2-CE1 3.76Å; D84-H114 IonicContact OD2-CG 2.8Å; D84-H114 IonicContact OD2-ND1 2.92Å; D84-H114 PolarHBondContact OD2-ND1 3.1Å; D84-Y123 WeakPolarHBondContact CB-O 3.41Å; D84-G124 PolarHBondContact OD1-N 3.37Å; D84-F125 WeakPolarHBondContact OD1-CB 3.39Å; D84-F125 PolarHBondContact OD1-N 3.09Å |
| 85 | R | 94.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 9.6 Ų | 9.6 | 24% | 0.238 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 68.3 | -47.3 | 175.5 | -43.6 | -69 | -173 | 176.4 | -3.4 | 115.5 | H55 Y123 Y261 F304 | H55-R85 HydrophobicContact CB-CB 4.18Å; H55-R85 HydrophobicContact CB-CG 4.45Å; R85-Y123 VanDerWaalsContact CZ-CE1 3.47Å; R85-Y123 PolarHBondContact N-O 3Å; R85-Y123 VanDerWaalsContact NH1-CE1 3.28Å; R85-Y261 HydrophobicContact CB-CE2 4.13Å; R85-Y261 HydrophobicContact CG-CE2 4.23Å; R85-Y261 WeakPolarHBondContact CG-OH 3.24Å; R85-F304 VanDerWaalsContact O-CE1 3.29Å; R85-F304 WeakPolarHBondContact O-CE1 3.37Å; R85-F304 WeakPolarHBondContact O-CZ 3.44Å |
| 86 | G | 94.1 | Very high | 98 | Very high | 9 Ų | 9 | 8.4 Ų | 8.4 | 9% | 0.093 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -84.5 | 167.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | H55 D84 Y263 | H55-G86 WeakPolarHBondContact O-CA 3.19Å; H55-G86 PolarHBondContact O-N 3.06Å; D84-G86 PolarHBondContact O-N 2.74Å; G86-Y263 WeakPolarHBondContact CA-OH 3.38Å |
| 87 | Y | 93.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 8.3 Ų | 8.3 | 28% | 0.282 | 4% | 0.035 | S | C | . | . | S | Bend | trans | -80.3 | -13.6 | -176.4 | -60.4 | -49.3 | 0 | 0 | 0 | 115.4 | Y263 I295 P296 F304 | Y87-Y263 HydrophobicContact CD1-CE2 4.49Å; Y87-Y263 HydrophobicContact CD2-CD2 4.47Å; Y87-Y263 HydrophobicContact CD2-CE1 4.49Å; Y87-Y263 AromaticContact CD2-CE2 3.55Å; Y87-Y263 HydrophobicContact CD2-CE2 3.55Å; Y87-Y263 AromaticContact CD2-CZ 3.55Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.49Å; Y87-Y263 HydrophobicContact CE1-CE2 4.24Å; Y87-Y263 AromaticContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CE1 4.46Å; Y87-Y263 AromaticContact CE2-CE2 3.23Å; Y87-Y263 HydrophobicContact CE2-CE2 3.23Å; Y87-Y263 AromaticContact CE2-CZ 3.65Å; Y87-Y263 HydrophobicContact CG-CE2 4.17Å; Y87-Y263 AromaticContact CZ-CD2 3.95Å; Y87-Y263 AromaticContact CZ-CE2 3.6Å; Y87-Y263 PolarHBondContact N-OH 3.46Å; Y87-Y263 VanDerWaalsContact N-OH 3.14Å; Y87-I295 HydrophobicContact CE2-CG2 4.38Å; Y87-P296 HydrophobicContact CG-CG 4.21Å; Y87-F304 HydrophobicContact CD1-CE2 4.14Å; Y87-F304 HydrophobicContact CD1-CZ 4.01Å; Y87-F304 HydrophobicContact CE1-CD2 4.42Å; Y87-F304 HydrophobicContact CE1-CE1 4.33Å; Y87-F304 AromaticContact CE1-CE2 3.48Å; Y87-F304 HydrophobicContact CE1-CE2 3.48Å; Y87-F304 VanDerWaalsContact CE1-CE2 3.48Å; Y87-F304 AromaticContact CE1-CZ 3.39Å; Y87-F304 HydrophobicContact CE1-CZ 3.39Å; Y87-F304 AromaticContact CZ-CZ 3.91Å |
| 88 | Y | 97.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 8.3 Ų | 8.3 | 8% | 0.075 | 4% | 0.035 | C | C | . | . | trans | -129.4 | 42.2 | -166.5 | -61.6 | -76.5 | 0 | 0 | 0 | 111.9 | C16 G56 F58 Y59 L90 E91 T92 V294 P296 | C16-Y88 WeakPolarHBondContact SG-CD1 3.35Å; G56-Y88 CarbonylContact O-C 3.33Å; G56-Y88 WeakPolarHBondContact O-CA 3.44Å; G56-Y88 WeakPolarHBondContact O-CB 3.37Å; G56-Y88 PolarHBondContact O-N 2.86Å; G56-Y88 VanDerWaalsContact O-N 3.08Å; F58-Y88 HydrophobicContact CB-CG 4.19Å; Y59-Y88 HydrophobicContact CD2-CD2 4.35Å; Y59-Y88 HydrophobicContact CD2-CE2 4.25Å; Y59-Y88 HydrophobicContact CE2-CD2 4.02Å; Y59-Y88 AromaticContact CE2-CE2 3.59Å; Y59-Y88 HydrophobicContact CE2-CE2 3.59Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 3Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.49Å; Y88-T92 WeakPolarHBondContact O-CB 3.38Å; Y88-T92 PolarHBondContact O-N 2.62Å; Y88-T92 PolarHBondContact O-OG1 3.27Å; Y88-V294 WeakPolarHBondContact CE2-O 3.46Å; Y88-V294 VanDerWaalsContact OH-C 3.32Å; Y88-V294 WeakPolarHBondContact OH-CB 3.25Å; Y88-V294 PolarHBondContact OH-O 3.1Å; Y88-P296 HydrophobicContact CE1-CG 4.36Å; Y88-P296 HydrophobicContact CE2-CG 4.36Å; Y88-P296 WeakPolarHBondContact OH-CD 3.44Å; Y88-P296 WeakPolarHBondContact OH-CG 3.41Å | ||
| 89 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | -179.6 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | D84 T92 F93 E128 | D84-S89 PolarHBondContact N-OG 2.95Å; S89-T92 PolarHBondContact O-N 2.81Å; S89-F93 WeakPolarHBondContact O-CB 3.47Å; S89-F93 PolarHBondContact O-N 3.34Å; S89-E128 WeakPolarHBondContact CA-OE2 3.49Å; S89-E128 WeakPolarHBondContact CB-OE2 3.33Å; S89-E128 PolarHBondContact N-OE1 3.24Å; S89-E128 VanDerWaalsContact N-OE1 3.1Å; S89-E128 PolarHBondContact N-OE2 2.86Å; S89-E128 PolarHBondContact OG-OE2 2.84Å; S89-E128 VanDerWaalsContact OG-OE2 3.11Å |
| 90 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.7 | 177.6 | 69.4 | 0 | 0 | 0 | 111.4 | Y18 L24 Y88 T94 F125 E128 K132 Y133 | Y18-L90 HydrophobicContact CD1-CD2 4.4Å; Y18-L90 HydrophobicContact CD2-CD2 4.43Å; Y18-L90 HydrophobicContact CG-CD2 3.91Å; L24-L90 HydrophobicContact CD2-CD1 4.15Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 3Å; L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 PolarHBondContact O-N 2.88Å; L90-T94 PolarHBondContact O-OG1 3.42Å; L90-F125 HydrophobicContact CB-CE2 4.21Å; L90-F125 HydrophobicContact CD1-CE2 4.47Å; L90-E128 WeakPolarHBondContact CB-OE1 3.37Å; L90-E128 PolarHBondContact N-OE1 3.48Å; L90-K132 HydrophobicContact CD2-CB 4.25Å; L90-K132 HydrophobicContact CD2-CD 3.64Å; L90-Y133 HydrophobicContact CD1-CE2 4.03Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.36Å; L90-Y133 HydrophobicContact CG-CE2 4.3Å |
| 91 | E | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 8.5 Ų | 8.5 | 3% | 0.028 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 178.6 | -65.7 | 80.8 | 179.6 | 0 | 0 | 111.2 | F58 Y88 Y95 K132 | F58-E91 HydrophobicContact CD2-CB 3.8Å; F58-E91 HydrophobicContact CE2-CB 4.16Å; F58-E91 HydrophobicContact CG-CB 4.39Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.49Å; E91-Y95 VanDerWaalsContact O-CB 3.28Å; E91-Y95 WeakPolarHBondContact O-CB 3.43Å; E91-Y95 PolarHBondContact O-N 2.89Å; E91-K132 WeakPolarHBondContact OE1-CE 3.31Å; E91-K132 IonicContact OE1-NZ 3.73Å; E91-K132 PolarHBondContact OE1-NZ 2.94Å; E91-K132 IonicContact OE2-NZ 3.3Å; E91-K132 PolarHBondContact OE2-NZ 2.95Å |
| 92 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58 | -55.2 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | I54 F58 L61 Y88 S89 Y95 L96 | I54-T92 HydrophobicContact CB-CG2 4.33Å; I54-T92 HydrophobicContact CG2-CG2 3.51Å; F58-T92 WeakPolarHBondContact CA-OG1 3.29Å; F58-T92 PolarHBondContact N-OG1 3.16Å; L61-T92 HydrophobicContact CD2-CG2 3.87Å; Y88-T92 WeakPolarHBondContact O-CB 3.38Å; Y88-T92 PolarHBondContact O-N 2.62Å; Y88-T92 PolarHBondContact O-OG1 3.27Å; S89-T92 PolarHBondContact O-N 2.81Å; T92-Y95 PolarHBondContact O-N 3.14Å; T92-L96 WeakPolarHBondContact O-CG 3.33Å; T92-L96 PolarHBondContact O-N 3.5Å; T92-L96 VanDerWaalsContact O-N 3.16Å |
| 93 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | -178.5 | -169.8 | -127 | 0 | 0 | 0 | 111.5 | F82 V83 S89 Y95 L96 L97 C142 V145 F146 | F82-F93 HydrophobicContact CB-CD2 4.01Å; F82-F93 AromaticContact CD2-CD2 3.58Å; F82-F93 HydrophobicContact CD2-CD2 3.58Å; F82-F93 AromaticContact CD2-CE2 3.6Å; F82-F93 HydrophobicContact CD2-CE2 3.6Å; F82-F93 HydrophobicContact CE2-CD2 4.45Å; F82-F93 HydrophobicContact CE2-CE2 4.1Å; F82-F93 HydrophobicContact CG-CD2 4.07Å; V83-F93 HydrophobicContact CG1-CB 4.02Å; V83-F93 HydrophobicContact CG1-CG 4.37Å; S89-F93 WeakPolarHBondContact O-CB 3.47Å; S89-F93 PolarHBondContact O-N 3.34Å; F93-Y95 VanDerWaalsContact C-N 3.29Å; F93-Y95 PolarHBondContact O-N 3.01Å; F93-L96 PolarHBondContact O-N 3.21Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.26Å; F93-L97 HydrophobicContact CD2-CG 4.38Å; F93-L97 HydrophobicContact CE1-CD1 3.59Å; F93-L97 HydrophobicContact CE1-CD2 4.2Å; F93-L97 HydrophobicContact CE1-CG 4.03Å; F93-L97 HydrophobicContact CE2-CD2 3.89Å; F93-L97 HydrophobicContact CE2-CG 4.15Å; F93-L97 HydrophobicContact CG-CG 4.42Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 HydrophobicContact CZ-CD2 3.69Å; F93-L97 HydrophobicContact CZ-CG 3.97Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.36Å; F93-L97 PolarHBondContact O-N 2.92Å; F93-C142 HydrophobicContact CD1-CB 4.04Å; F93-C142 HydrophobicContact CE1-CB 3.9Å; F93-V145 HydrophobicContact CE1-CB 4.38Å; F93-V145 HydrophobicContact CE1-CG1 4.48Å; F93-V145 HydrophobicContact CZ-CB 4.24Å; F93-V145 HydrophobicContact CZ-CG1 3.94Å; F93-F146 AromaticContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CZ 4.45Å; F93-F146 HydrophobicContact CD2-CE1 4.38Å; F93-F146 AromaticContact CE1-CD1 3.84Å; F93-F146 HydrophobicContact CE1-CD1 3.84Å; F93-F146 AromaticContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CZ 4.24Å; F93-F146 HydrophobicContact CE2-CD1 4.33Å; F93-F146 AromaticContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CG-CE1 4.32Å; F93-F146 AromaticContact CZ-CD1 3.6Å; F93-F146 HydrophobicContact CZ-CD1 3.6Å; F93-F146 AromaticContact CZ-CE1 3.38Å; F93-F146 HydrophobicContact CZ-CE1 3.38Å |
| 94 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -39.8 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | A13 L19 L24 L27 L90 L97 A98 | A13-T94 HydrophobicContact CB-CG2 4.35Å; L19-T94 HydrophobicContact CD1-CG2 3.71Å; L19-T94 HydrophobicContact CG-CG2 3.79Å; L24-T94 HydrophobicContact CD1-CG2 4.39Å; L27-T94 HydrophobicContact CD2-CG2 4.22Å; L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 PolarHBondContact O-N 2.88Å; L90-T94 PolarHBondContact O-OG1 3.42Å; T94-L97 PolarHBondContact O-N 2.9Å; T94-A98 WeakPolarHBondContact O-CB 3.36Å; T94-A98 PolarHBondContact O-N 3.32Å |
| 95 | Y | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 177.3 | -173.6 | -139 | 0 | 0 | 0 | 111.3 | V10 A13 R14 F58 L61 F65 E91 T92 F93 L97 A98 L99 | V10-Y95 HydrophobicContact CG1-CE2 4.18Å; A13-Y95 HydrophobicContact CB-CD2 3.87Å; A13-Y95 HydrophobicContact CB-CG 4.31Å; R14-Y95 HydrophobicContact CB-CD2 4.46Å; R14-Y95 HydrophobicContact CB-CE2 3.83Å; R14-Y95 HydrophobicContact CG-CE2 4.43Å; R14-Y95 PolarHBondContact NE-OH 3.44Å; R14-Y95 VanDerWaalsContact NE-OH 3.13Å; F58-Y95 HydrophobicContact CE2-CD1 4.23Å; F58-Y95 HydrophobicContact CE2-CG 4.36Å; L61-Y95 HydrophobicContact CD2-CD1 4.07Å; F65-Y95 AromaticContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CD2-CE1 3.86Å; F65-Y95 HydrophobicContact CE2-CD1 4.05Å; F65-Y95 AromaticContact CE2-CE1 3.52Å; F65-Y95 HydrophobicContact CE2-CE1 3.52Å; F65-Y95 HydrophobicContact CZ-CE1 4.49Å; E91-Y95 VanDerWaalsContact O-CB 3.28Å; E91-Y95 WeakPolarHBondContact O-CB 3.43Å; E91-Y95 PolarHBondContact O-N 2.89Å; T92-Y95 PolarHBondContact O-N 3.14Å; F93-Y95 VanDerWaalsContact C-N 3.29Å; F93-Y95 PolarHBondContact O-N 3.01Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-L97 PolarHBondContact O-N 2.87Å; Y95-A98 PolarHBondContact O-N 3.33Å; Y95-L99 HydrophobicContact CD1-CD1 4.44Å; Y95-L99 HydrophobicContact CD2-CG 4.32Å; Y95-L99 HydrophobicContact CE1-CD1 4.16Å; Y95-L99 HydrophobicContact CE2-CD1 4.28Å; Y95-L99 HydrophobicContact CE2-CD2 4.05Å; Y95-L99 HydrophobicContact CE2-CG 4.14Å; Y95-L99 VanDerWaalsContact O-CG 3.31Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.09Å |
| 96 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 175.9 | -65.9 | 174 | 0 | 0 | 0 | 112.1 | L61 F65 F78 F82 T92 F93 L99 K100 I107 L109 | L61-L96 HydrophobicContact CD1-CD2 4.39Å; L61-L96 HydrophobicContact CD2-CD2 4.19Å; L61-L96 HydrophobicContact CD2-CG 4.2Å; F65-L96 HydrophobicContact CZ-CD2 4.22Å; F78-L96 HydrophobicContact CD1-CD2 4.32Å; F78-L96 HydrophobicContact CD2-CD2 4.19Å; F78-L96 HydrophobicContact CE1-CD2 4.02Å; F78-L96 HydrophobicContact CE2-CD2 3.86Å; F78-L96 HydrophobicContact CG-CD2 4.41Å; F78-L96 HydrophobicContact CZ-CD2 3.79Å; F82-L96 HydrophobicContact CB-CD1 4.33Å; F82-L96 HydrophobicContact CD1-CD1 3.61Å; F82-L96 HydrophobicContact CE1-CD1 4.15Å; F82-L96 HydrophobicContact CG-CD1 3.95Å; T92-L96 WeakPolarHBondContact O-CG 3.33Å; T92-L96 PolarHBondContact O-N 3.5Å; T92-L96 VanDerWaalsContact O-N 3.16Å; F93-L96 PolarHBondContact O-N 3.21Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-K100 WeakPolarHBondContact O-CB 3.35Å; L96-K100 PolarHBondContact O-N 2.92Å; L96-I107 HydrophobicContact CD2-CD1 4.08Å; L96-L109 HydrophobicContact CB-CD1 4.4Å; L96-L109 HydrophobicContact CB-CD2 4.29Å |
| 97 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 175.1 | -67.7 | -173.2 | 0 | 0 | 0 | 112.5 | L27 V31 F93 T94 Y95 L99 K100 A101 L109 V145 | L27-L97 HydrophobicContact CD2-CB 3.98Å; L27-L97 HydrophobicContact CG-CB 4.2Å; V31-L97 HydrophobicContact CB-CD2 4.4Å; V31-L97 HydrophobicContact CG1-CD2 3.84Å; V31-L97 HydrophobicContact CG2-CB 4.34Å; V31-L97 HydrophobicContact CG2-CD2 4.44Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.26Å; F93-L97 HydrophobicContact CD2-CG 4.38Å; F93-L97 HydrophobicContact CE1-CD1 3.59Å; F93-L97 HydrophobicContact CE1-CD2 4.2Å; F93-L97 HydrophobicContact CE1-CG 4.03Å; F93-L97 HydrophobicContact CE2-CD2 3.89Å; F93-L97 HydrophobicContact CE2-CG 4.15Å; F93-L97 HydrophobicContact CG-CG 4.42Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 HydrophobicContact CZ-CD2 3.69Å; F93-L97 HydrophobicContact CZ-CG 3.97Å; F93-L97 VanDerWaalsContact O-CG 3.31Å; F93-L97 WeakPolarHBondContact O-CG 3.36Å; F93-L97 PolarHBondContact O-N 2.92Å; T94-L97 PolarHBondContact O-N 2.9Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-L97 PolarHBondContact O-N 2.87Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-K100 PolarHBondContact O-N 2.9Å; L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.32Å; L97-L109 HydrophobicContact CD2-CD1 4.23Å; L97-V145 HydrophobicContact CD1-CG2 4.43Å; L97-V145 HydrophobicContact CD2-CG1 3.79Å |
| 98 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V10 L27 T94 Y95 K102 | V10-A98 HydrophobicContact CG2-CB 3.76Å; L27-A98 HydrophobicContact CD2-CB 4.26Å; T94-A98 WeakPolarHBondContact O-CB 3.36Å; T94-A98 PolarHBondContact O-N 3.32Å; Y95-A98 PolarHBondContact O-N 3.33Å; A98-K102 VanDerWaalsContact O-CB 3.31Å; A98-K102 WeakPolarHBondContact O-CB 3.03Å; A98-K102 PolarHBondContact O-N 3.37Å |
| 99 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 172.3 | -64.5 | 178 | 0 | 0 | 0 | 111.4 | V10 F65 V71 Y95 L96 L97 K102 W103 I107 | V10-L99 HydrophobicContact CG1-CD2 4.25Å; V10-L99 HydrophobicContact CG2-CD2 4.38Å; F65-L99 HydrophobicContact CE1-CD1 4.29Å; F65-L99 HydrophobicContact CE2-CD1 4.09Å; F65-L99 HydrophobicContact CZ-CD1 3.6Å; V71-L99 HydrophobicContact CB-CD2 4.43Å; V71-L99 HydrophobicContact CG2-CD1 4.47Å; Y95-L99 HydrophobicContact CD1-CD1 4.44Å; Y95-L99 HydrophobicContact CD2-CG 4.32Å; Y95-L99 HydrophobicContact CE1-CD1 4.16Å; Y95-L99 HydrophobicContact CE2-CD1 4.28Å; Y95-L99 HydrophobicContact CE2-CD2 4.05Å; Y95-L99 HydrophobicContact CE2-CG 4.14Å; Y95-L99 VanDerWaalsContact O-CG 3.31Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.37Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L99-K102 PolarHBondContact O-N 2.92Å; L99-W103 HydrophobicContact CD2-CE3 3.94Å; L99-W103 HydrophobicContact CD2-CZ3 3.53Å; L99-W103 PolarHBondContact O-N 2.91Å; L99-I107 HydrophobicContact CB-CD1 4.04Å; L99-I107 HydrophobicContact CD1-CD1 4.4Å |
| 100 | K | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.2 | 179.5 | 63.4 | -178.5 | 176.4 | 0 | 112.6 | V31 E38 L96 L97 K102 W103 P104 I107 L109 | V31-K100 HydrophobicContact CG1-CG 4.08Å; E38-K100 WeakPolarHBondContact OE1-CE 3.49Å; E38-K100 IonicContact OE1-NZ 3.36Å; E38-K100 PolarHBondContact OE1-NZ 2.81Å; E38-K100 IonicContact OE2-NZ 2.99Å; L96-K100 WeakPolarHBondContact O-CB 3.35Å; L96-K100 PolarHBondContact O-N 2.92Å; L97-K100 PolarHBondContact O-N 2.9Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 2.82Å; K100-W103 CarbonylContact O-C 3.53Å; K100-P104 PolarHBondContact NZ-O 3.4Å; K100-P104 WeakPolarHBondContact O-CA 3.47Å; K100-P104 VanDerWaalsContact O-N 3.16Å; K100-I107 HydrophobicContact CB-CG2 3.81Å; K100-I107 HydrophobicContact CD-CG2 3.75Å; K100-I107 WeakPolarHBondContact CD-O 3.19Å; K100-I107 HydrophobicContact CG-CG2 4.43Å; K100-I107 PolarHBondContact NZ-O 2.88Å; K100-L109 HydrophobicContact CB-CD1 4.1Å; K100-L109 HydrophobicContact CG-CD1 4.39Å |
| 101 | A | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 L27 Y30 V31 L97 | L6-A101 HydrophobicContact CD1-CB 4.19Å; L6-A101 WeakPolarHBondContact CD1-O 3.19Å; L6-A101 HydrophobicContact CD2-CB 3.72Å; L27-A101 HydrophobicContact CD1-CB 3.59Å; Y30-A101 HydrophobicContact CD1-CB 3.74Å; Y30-A101 HydrophobicContact CE1-CB 3.84Å; V31-A101 HydrophobicContact CG2-CB 3.9Å; L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.32Å |
| 102 | K | 98.2 | Very high | 98.5 | Very high | 58 Ų | 58 | 20.5 Ų | 20.5 | 25% | 0.252 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -80.2 | -37.2 | -175.8 | -170.8 | 172.9 | 173.8 | -178.1 | 0 | 113.3 | L6 D7 V10 A98 L99 K100 | L6-K102 HydrophobicContact CB-CB 4.2Å; L6-K102 HydrophobicContact CB-CG 4.34Å; L6-K102 HydrophobicContact CD1-CB 4.35Å; D7-K102 WeakPolarHBondContact OD1-CE 3.47Å; D7-K102 IonicContact OD1-NZ 2.53Å; D7-K102 PolarHBondContact OD1-NZ 3.5Å; V10-K102 HydrophobicContact CG2-CB 4.47Å; V10-K102 HydrophobicContact CG2-CD 4Å; A98-K102 VanDerWaalsContact O-CB 3.31Å; A98-K102 WeakPolarHBondContact O-CB 3.03Å; A98-K102 PolarHBondContact O-N 3.37Å; L99-K102 PolarHBondContact O-N 2.92Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 2.82Å |
| 103 | W | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 20.7 Ų | 20.7 | 21% | 0.208 | 10% | 0.098 | C | C | . | . | trans | -133.9 | 67.9 | -176.5 | -60.7 | -66.2 | 0 | 0 | 0 | 110.6 | V71 P72 L99 K100 D105 R106 | V71-W103 HydrophobicContact CB-CE3 4.25Å; V71-W103 HydrophobicContact CB-CZ3 4.44Å; V71-W103 HydrophobicContact CG1-CB 4.02Å; V71-W103 HydrophobicContact CG1-CD2 3.83Å; V71-W103 HydrophobicContact CG1-CE3 3.42Å; V71-W103 VanDerWaalsContact CG1-CE3 3.42Å; V71-W103 HydrophobicContact CG1-CG 4.13Å; V71-W103 HydrophobicContact CG1-CZ3 4.07Å; P72-W103 HydrophobicContact CB-CD2 4.09Å; P72-W103 HydrophobicContact CB-CG 3.95Å; P72-W103 HydrophobicContact CG-CZ2 4.12Å; L99-W103 HydrophobicContact CD2-CE3 3.94Å; L99-W103 HydrophobicContact CD2-CZ3 3.53Å; L99-W103 PolarHBondContact O-N 2.91Å; K100-W103 CarbonylContact O-C 3.53Å; W103-D105 PolarHBondContact O-N 2.89Å; W103-D105 VanDerWaalsContact O-N 3.17Å; W103-R106 HydrophobicContact CB-CB 3.86Å; W103-R106 HydrophobicContact CB-CG 3.84Å; W103-R106 PolarHBondContact O-N 2.65Å | ||
| 104 | P | 97.6 | Very high | 98.5 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 25% | 0.253 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -57.3 | -34.9 | -171.8 | 20.8 | -33 | 0 | 0 | 0 | 113.7 | L34 K100 R106 | L34-P104 HydrophobicContact CD1-CB 4.33Å; K100-P104 PolarHBondContact NZ-O 3.4Å; K100-P104 WeakPolarHBondContact O-CA 3.47Å; K100-P104 VanDerWaalsContact O-N 3.16Å; P104-R106 VanDerWaalsContact C-N 3.29Å; P104-R106 PolarHBondContact O-N 2.87Å |
| 105 | D | 96.6 | Very high | 98.5 | Very high | 150 Ų | 150 | 21.1 Ų | 21.1 | 80% | 0.802 | 10% | 0.1 | S | C | * | . | G | 310 helix | trans | -81.1 | -6.2 | -179.6 | -52.3 | -45.2 | 0 | 0 | 0 | 113.8 | W103 | W103-D105 PolarHBondContact O-N 2.89Å; W103-D105 VanDerWaalsContact O-N 3.17Å |
| 106 | R | 98.2 | Very high | 98.5 | Very high | 109 Ų | 109 | 21.2 Ų | 21.2 | 41% | 0.411 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -102.8 | -14.1 | -175.7 | -58.1 | -62.3 | -177.7 | 177.5 | 0.4 | 113.4 | V71 P72 N75 Y76 W103 P104 | V71-R106 HydrophobicContact CG1-CB 4Å; P72-R106 HydrophobicContact CB-CG 4.1Å; N75-R106 CarbonylContact C-O 3.54Å; N75-R106 WeakPolarHBondContact CA-O 3.38Å; N75-R106 WeakPolarHBondContact OD1-CD 3.4Å; N75-R106 PolarHBondContact OD1-NH1 2.89Å; Y76-R106 PolarHBondContact N-O 2.86Å; W103-R106 HydrophobicContact CB-CB 3.86Å; W103-R106 HydrophobicContact CB-CG 3.84Å; W103-R106 PolarHBondContact O-N 2.65Å; P104-R106 VanDerWaalsContact C-N 3.29Å; P104-R106 PolarHBondContact O-N 2.87Å |
| 107 | I | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 122.4 | -176.5 | -168.8 | 173.7 | 0 | 0 | 0 | 110.8 | Y76 F78 L96 L99 K100 L109 | Y76-I107 CarbonylContact O-C 3.57Å; Y76-I107 WeakPolarHBondContact O-CA 3.45Å; F78-I107 HydrophobicContact CD2-CD1 3.98Å; F78-I107 HydrophobicContact CD2-CG1 3.96Å; F78-I107 HydrophobicContact CE2-CD1 3.79Å; F78-I107 HydrophobicContact CE2-CG1 4.08Å; L96-I107 HydrophobicContact CD2-CD1 4.08Å; L99-I107 HydrophobicContact CB-CD1 4.04Å; L99-I107 HydrophobicContact CD1-CD1 4.4Å; K100-I107 HydrophobicContact CB-CG2 3.81Å; K100-I107 HydrophobicContact CD-CG2 3.75Å; K100-I107 WeakPolarHBondContact CD-O 3.19Å; K100-I107 HydrophobicContact CG-CG2 4.43Å; K100-I107 PolarHBondContact NZ-O 2.88Å; I107-L109 HydrophobicContact CD1-CD2 3.96Å; I107-L109 HydrophobicContact CG1-CD2 3.91Å; I107-L109 HydrophobicContact CG1-CG 4.48Å |
| 108 | T | 98.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.9 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | Q42 V44 Y76 I77 F78 L110 A153 | Q42-T108 HydrophobicContact CB-CG2 4.05Å; Q42-T108 HydrophobicContact CG-CG2 3.96Å; V44-T108 HydrophobicContact CG2-CG2 4.44Å; Y76-T108 PolarHBondContact O-N 3.42Å; I77-T108 WeakPolarHBondContact CA-O 3.35Å; F78-T108 PolarHBondContact N-O 3.19Å; T108-L110 HydrophobicContact CG2-CD2 3.97Å; T108-A153 HydrophobicContact CG2-CB 4.35Å |
| 109 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 115.1 | -179.9 | -57.9 | 179.6 | 0 | 0 | 0 | 108.6 | F78 F82 L96 L97 K100 I107 L149 T150 | F78-L109 HydrophobicContact CB-CD2 3.99Å; F78-L109 HydrophobicContact CD2-CD2 4.06Å; F78-L109 HydrophobicContact CG-CD2 4.3Å; F82-L109 HydrophobicContact CE2-CB 4.46Å; F82-L109 HydrophobicContact CZ-CB 4.24Å; F82-L109 HydrophobicContact CZ-CD2 4.24Å; L96-L109 HydrophobicContact CB-CD1 4.4Å; L96-L109 HydrophobicContact CB-CD2 4.29Å; L97-L109 HydrophobicContact CD2-CD1 4.23Å; K100-L109 HydrophobicContact CB-CD1 4.1Å; K100-L109 HydrophobicContact CG-CD1 4.39Å; I107-L109 HydrophobicContact CD1-CD2 3.96Å; I107-L109 HydrophobicContact CG1-CD2 3.91Å; I107-L109 HydrophobicContact CG1-CG 4.48Å; L109-L149 HydrophobicContact CB-CD2 3.68Å; L109-L149 HydrophobicContact CD1-CD2 4.5Å; L109-T150 PolarHBondContact O-N 2.9Å; L109-T150 PolarHBondContact O-OG1 2.85Å |
| 110 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 158.7 | 173.3 | -49.9 | -169 | 0 | 0 | 0 | 110.4 | I77 F78 M79 F82 T108 T150 A153 C161 | I77-L110 HydrophobicContact CG2-CD1 4.25Å; I77-L110 HydrophobicContact CG2-CG 4.21Å; F78-L110 WeakPolarHBondContact O-CB 3.44Å; F78-L110 PolarHBondContact O-N 2.67Å; M79-L110 HydrophobicContact CB-CD1 4.44Å; M79-L110 HydrophobicContact CG-CD1 4.15Å; F82-L110 WeakPolarHBondContact CE2-O 3.45Å; F82-L110 VanDerWaalsContact CZ-O 3.26Å; F82-L110 WeakPolarHBondContact CZ-O 3.45Å; T108-L110 HydrophobicContact CG2-CD2 3.97Å; L110-T150 CarbonylContact C-O 3.58Å; L110-T150 VanDerWaalsContact CA-O 3.25Å; L110-T150 WeakPolarHBondContact CA-O 3.02Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.48Å; L110-A153 HydrophobicContact CD1-CB 4.47Å; L110-A153 HydrophobicContact CD2-CB 4.15Å; L110-C161 HydrophobicContact CD1-CB 4.05Å; L110-C161 WeakPolarHBondContact CD1-O 3.49Å |
| 111 | R | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | trans | -85.1 | 121.5 | 175.1 | -159.8 | 177.5 | -174.2 | 166.8 | 6.3 | 110.4 | E115 F146 D147 L149 T150 R181 Q183 I185 V195 | R111-E115 HydrophobicContact CG-CB 3.87Å; R111-E115 PolarHBondContact NE-O 2.82Å; R111-E115 PolarHBondContact NH2-O 3.05Å; R111-F146 VanDerWaalsContact CD-O 3.3Å; R111-F146 WeakPolarHBondContact CD-O 3.44Å; R111-F146 PolarHBondContact NE-O 3.41Å; R111-F146 VanDerWaalsContact NE-O 3.11Å; R111-F146 PolarHBondContact NH1-O 3.32Å; R111-D147 IonicContact CZ-OD1 3.13Å; R111-D147 IonicContact NH1-OD1 3.22Å; R111-D147 IonicContact NH2-OD1 3.92Å; R111-D147 PolarHBondContact NH2-OD1 3.35Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.39Å; R111-L149 HydrophobicContact CG-CB 4.07Å; R111-L149 HydrophobicContact CG-CD1 4.23Å; R111-T150 PolarHBondContact N-O 3.48Å; R111-R181 PolarHBondContact NH1-O 2.81Å; R111-Q183 PolarHBondContact NH1-O 2.66Å; R111-Q183 PolarHBondContact NH2-O 2.84Å; R111-I185 HydrophobicContact CG-CD1 4.49Å; R111-V195 WeakPolarHBondContact O-CG1 3.42Å | ||
| 112 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -87.2 | 174.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D81 H114 E115 H163 | D81-G112 VanDerWaalsContact OD1-CA 3.32Å; D81-G112 WeakPolarHBondContact OD1-CA 3.35Å; G112-H114 PolarHBondContact O-N 3.11Å; G112-E115 WeakPolarHBondContact CA-OE2 3.42Å; G112-E115 PolarHBondContact N-OE2 2.84Å; G112-E115 PolarHBondContact O-N 3.13Å; G112-H163 WeakPolarHBondContact CA-CD2 3.13Å; G112-H163 VanDerWaalsContact CA-CG 3.5Å | ||
| 113 | N | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20 | 177.4 | 66.8 | -72 | 0 | 0 | 0 | 112.2 | D81 S116 I119 H163 V195 W196 H237 | D81-N113 PolarHBondContact OD1-N 3.29Å; D81-N113 PolarHBondContact OD1-OD1 2.95Å; D81-N113 PolarHBondContact OD2-OD1 2.64Å; N113-S116 WeakPolarHBondContact O-CB 3.13Å; N113-I119 WeakPolarHBondContact O-CG1 3.43Å; N113-H163 PolarHBondContact N-CD2 3.12Å; N113-H163 VanDerWaalsContact N-CD2 3.3Å; N113-H163 PolarHBondContact OD1-CD2 3.02Å; N113-H163 PolarHBondContact OD1-NE2 3.33Å; N113-V195 HydrophobicContact CB-CB 4.27Å; N113-V195 HydrophobicContact CB-CG2 4.2Å; N113-W196 HydrophobicContact CB-CD2 3.89Å; N113-W196 HydrophobicContact CB-CE3 4.42Å; N113-W196 HydrophobicContact CB-CG 4.32Å; N113-W196 HydrophobicContact CB-CH2 4.33Å; N113-W196 HydrophobicContact CB-CZ2 3.77Å; N113-W196 VanDerWaalsContact ND2-CH2 3.25Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.5Å; N113-W196 WeakPolarHBondContact ND2-CZ3 3.4Å; N113-H237 VanDerWaalsContact CG-CE1 3.44Å; N113-H237 PolarHBondContact OD1-CE1 2.97Å; N113-H237 PolarHBondContact OD1-ND1 2.87Å |
| 114 | H | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -17 | 173.9 | -82.2 | -96.5 | 0 | 0 | 0 | 114 | H55 D81 V83 D84 G112 S116 I119 T120 | H55-H114 AromaticContact CE1-CD2 3.52Å; H55-H114 AromaticContact CE1-CG 3.83Å; H55-H114 AromaticContact CE1-NE2 3.68Å; D81-H114 HydrophobicContact CB-CB 4.41Å; D81-H114 WeakPolarHBondContact OD1-CB 3.49Å; D81-H114 IonicContact OD1-CD2 2.66Å; D81-H114 IonicContact OD1-CG 2.98Å; D81-H114 PolarHBondContact OD1-N 2.95Å; D81-H114 IonicContact OD2-CD2 3.82Å; D81-H114 PolarHBondContact OD2-CD2 2.84Å; V83-H114 HydrophobicContact CG2-CB 4.34Å; D84-H114 VanDerWaalsContact CB-ND1 3.34Å; D84-H114 WeakPolarHBondContact CB-ND1 3.25Å; D84-H114 IonicContact OD2-CE1 3.76Å; D84-H114 IonicContact OD2-CG 2.8Å; D84-H114 IonicContact OD2-ND1 2.92Å; D84-H114 PolarHBondContact OD2-ND1 3.1Å; G112-H114 PolarHBondContact O-N 3.11Å; H114-S116 PolarHBondContact O-N 3.03Å; H114-I119 HydrophobicContact CB-CG2 4.32Å; H114-I119 VanDerWaalsContact ND1-CG2 3.29Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.4Å; H114-T120 WeakPolarHBondContact O-CG2 3.18Å |
| 115 | E | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -78.1 | 55.7 | 170.8 | -74.4 | 71.9 | -135.2 | 0 | 0 | 111.4 | D81 F82 V83 R111 G112 F146 L149 | D81-E115 PolarHBondContact N-OE2 3.47Å; F82-E115 HydrophobicContact CD2-CG 4.02Å; F82-E115 HydrophobicContact CE2-CG 4.41Å; F82-E115 PolarHBondContact N-OE1 2.75Å; V83-E115 PolarHBondContact N-OE1 2.69Å; R111-E115 HydrophobicContact CG-CB 3.87Å; R111-E115 PolarHBondContact NE-O 2.82Å; R111-E115 PolarHBondContact NH2-O 3.05Å; G112-E115 WeakPolarHBondContact CA-OE2 3.42Å; G112-E115 PolarHBondContact N-OE2 2.84Å; G112-E115 PolarHBondContact O-N 3.13Å; E115-F146 VanDerWaalsContact C-CD2 3.49Å; E115-F146 HydrophobicContact CB-CB 3.93Å; E115-F146 HydrophobicContact CB-CD1 3.77Å; E115-F146 HydrophobicContact CB-CD2 3.96Å; E115-F146 HydrophobicContact CB-CE1 4.23Å; E115-F146 HydrophobicContact CB-CE2 4.45Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.56Å; E115-F146 HydrophobicContact CG-CD2 4.39Å; E115-F146 HydrophobicContact CG-CE1 3.63Å; E115-F146 HydrophobicContact CG-CE2 4.5Å; E115-F146 HydrophobicContact CG-CG 3.97Å; E115-F146 HydrophobicContact CG-CZ 4.14Å; E115-F146 WeakPolarHBondContact O-CB 3.08Å; E115-L149 HydrophobicContact CB-CD1 4.01Å; E115-L149 HydrophobicContact CG-CD1 3.73Å |
| 116 | S | 98.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -135.2 | 140.9 | -176.5 | 159.6 | 0 | 0 | 0 | 0 | 110.2 | N113 H114 Q118 I119 T120 E184 | N113-S116 WeakPolarHBondContact O-CB 3.13Å; H114-S116 PolarHBondContact O-N 3.03Å; S116-Q118 VanDerWaalsContact C-N 3.32Å; S116-Q118 PolarHBondContact O-N 3.14Å; S116-Q118 PolarHBondContact OG-N 3.24Å; S116-I119 PolarHBondContact OG-N 2.92Å; S116-T120 WeakPolarHBondContact O-CB 3.47Å; S116-T120 VanDerWaalsContact O-CG2 3.26Å; S116-T120 WeakPolarHBondContact O-CG2 3.43Å; S116-T120 PolarHBondContact O-N 3.28Å; S116-T120 PolarHBondContact O-OG1 3.01Å; S116-E184 WeakPolarHBondContact CA-OE1 3.17Å; S116-E184 VanDerWaalsContact CB-OE1 3.3Å; S116-E184 WeakPolarHBondContact CB-OE1 3.49Å; S116-E184 PolarHBondContact OG-OE1 3.25Å |
| 117 | R | 98.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 27.5 Ų | 27.5 | 25% | 0.253 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 175 | -68.9 | 169.4 | -177.2 | 82 | -0.2 | 111.5 | T120 Q121 W139 T143 D147 E184 | R117-T120 PolarHBondContact O-OG1 3.03Å; R117-Q121 VanDerWaalsContact O-CG 3.26Å; R117-Q121 WeakPolarHBondContact O-CG 3.25Å; R117-Q121 PolarHBondContact O-N 2.93Å; R117-W139 HydrophobicContact CB-CH2 4.19Å; R117-W139 HydrophobicContact CB-CZ2 3.83Å; R117-W139 HydrophobicContact CG-CH2 4.11Å; R117-W139 HydrophobicContact CG-CZ2 3.9Å; R117-T143 HydrophobicContact CG-CG2 3.78Å; R117-T143 PolarHBondContact NH2-O 2.92Å; R117-D147 IonicContact CZ-OD1 2.8Å; R117-D147 IonicContact CZ-OD2 3.84Å; R117-D147 VanDerWaalsContact CZ-OD2 3.26Å; R117-D147 VanDerWaalsContact NH1-CG 3.31Å; R117-D147 IonicContact NH1-OD1 3.13Å; R117-D147 PolarHBondContact NH1-OD1 3.3Å; R117-D147 IonicContact NH1-OD2 3.77Å; R117-D147 PolarHBondContact NH1-OD2 2.87Å; R117-D147 IonicContact NH2-OD1 3.98Å; R117-D147 IonicContact NH2-OD2 2.83Å; R117-D147 PolarHBondContact NH2-OD2 3.27Å; R117-E184 WeakPolarHBondContact CB-OE2 3.15Å; R117-E184 WeakPolarHBondContact CD-OE2 3.22Å; R117-E184 VanDerWaalsContact CG-OE2 3.24Å; R117-E184 WeakPolarHBondContact CG-OE2 3.38Å; R117-E184 IonicContact CZ-OE2 3.55Å; R117-E184 PolarHBondContact N-OE1 3.22Å; R117-E184 PolarHBondContact N-OE2 3.23Å; R117-E184 IonicContact NE-OE2 3.68Å; R117-E184 IonicContact NH1-OE2 3.92Å; R117-E184 PolarHBondContact NH1-OE2 3.26Å |
| 118 | Q | 96.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 28.6 Ų | 28.6 | 39% | 0.393 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.1 | -42.7 | -176.4 | -58.8 | -177.2 | 10.8 | 0 | 0 | 111.5 | S116 H187 | S116-Q118 VanDerWaalsContact C-N 3.32Å; S116-Q118 PolarHBondContact O-N 3.14Å; S116-Q118 PolarHBondContact OG-N 3.24Å; Q118-H187 PolarHBondContact NE2-CE1 3.25Å; Q118-H187 VanDerWaalsContact NE2-CE1 3.26Å; Q118-H187 PolarHBondContact NE2-NE2 2.85Å; Q118-H187 PolarHBondContact OE1-CE1 3.37Å |
| 119 | I | 97.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 28 Ų | 28 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.7 | -46 | -179.1 | -58.3 | -57.2 | 0 | 0 | 0 | 110.4 | N113 H114 S116 Q121 V122 Y123 W196 | N113-I119 WeakPolarHBondContact O-CG1 3.43Å; H114-I119 HydrophobicContact CB-CG2 4.32Å; H114-I119 VanDerWaalsContact ND1-CG2 3.29Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.4Å; S116-I119 PolarHBondContact OG-N 2.92Å; I119-Q121 VanDerWaalsContact C-N 3.32Å; I119-Q121 PolarHBondContact O-N 2.74Å; I119-V122 CarbonylContact O-C 3.09Å; I119-V122 WeakPolarHBondContact O-CA 3.29Å; I119-V122 WeakPolarHBondContact O-CB 3.33Å; I119-V122 PolarHBondContact O-N 3.14Å; I119-Y123 HydrophobicContact CB-CD2 4.39Å; I119-Y123 HydrophobicContact CD1-CE2 4.32Å; I119-Y123 HydrophobicContact CG2-CD2 3.47Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.47Å; I119-Y123 HydrophobicContact CG2-CE2 3.99Å; I119-Y123 HydrophobicContact CG2-CG 4.48Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.29Å; I119-Y123 PolarHBondContact O-N 3.08Å; I119-W196 HydrophobicContact CD1-CH2 4.01Å; I119-W196 HydrophobicContact CD1-CZ2 3.84Å; I119-W196 HydrophobicContact CG1-CZ2 4.15Å |
| 120 | T | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.2 | -23.7 | -177 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | V83 H114 S116 R117 V122 F125 Y126 W139 F146 | V83-T120 HydrophobicContact CG2-CG2 3.76Å; H114-T120 WeakPolarHBondContact O-CG2 3.18Å; S116-T120 WeakPolarHBondContact O-CB 3.47Å; S116-T120 VanDerWaalsContact O-CG2 3.26Å; S116-T120 WeakPolarHBondContact O-CG2 3.43Å; S116-T120 PolarHBondContact O-N 3.28Å; S116-T120 PolarHBondContact O-OG1 3.01Å; R117-T120 PolarHBondContact O-OG1 3.03Å; T120-V122 PolarHBondContact O-N 2.95Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.73Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.06Å; T120-Y126 VanDerWaalsContact O-CB 3.3Å; T120-Y126 WeakPolarHBondContact O-CB 3.45Å; T120-Y126 PolarHBondContact O-N 2.86Å; T120-W139 PolarHBondContact OG1-NE1 3.08Å; T120-F146 HydrophobicContact CG2-CE2 4.16Å |
| 121 | Q | 95.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 36.3 Ų | 36.3 | 49% | 0.486 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.4 | -23.2 | 170.4 | -77.4 | -178.2 | -55.7 | 0 | 0 | 112.9 | R117 I119 Y126 W139 | R117-Q121 VanDerWaalsContact O-CG 3.26Å; R117-Q121 WeakPolarHBondContact O-CG 3.25Å; R117-Q121 PolarHBondContact O-N 2.93Å; I119-Q121 VanDerWaalsContact C-N 3.32Å; I119-Q121 PolarHBondContact O-N 2.74Å; Q121-Y126 HydrophobicContact CG-CD2 4.24Å; Q121-Y126 HydrophobicContact CG-CG 4.36Å; Q121-W139 HydrophobicContact CG-CH2 4.39Å; Q121-W139 HydrophobicContact CG-CZ2 3.89Å |
| 122 | V | 93.6 | Very high | 96.7 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -98.1 | -51.8 | -178.3 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | I119 T120 G124 Y303 | I119-V122 CarbonylContact O-C 3.09Å; I119-V122 WeakPolarHBondContact O-CA 3.29Å; I119-V122 WeakPolarHBondContact O-CB 3.33Å; I119-V122 PolarHBondContact O-N 3.14Å; T120-V122 PolarHBondContact O-N 2.95Å; V122-G124 PolarHBondContact O-N 3Å; V122-Y303 WeakPolarHBondContact CA-OH 3.29Å; V122-Y303 HydrophobicContact CB-CE1 4.4Å; V122-Y303 HydrophobicContact CG1-CD1 4.32Å; V122-Y303 HydrophobicContact CG1-CE1 3.3Å; V122-Y303 VanDerWaalsContact CG1-OH 3.23Å; V122-Y303 WeakPolarHBondContact CG1-OH 3.3Å; V122-Y303 WeakPolarHBondContact O-CD2 3.39Å; V122-Y303 WeakPolarHBondContact O-CE1 3.48Å; V122-Y303 WeakPolarHBondContact O-CE2 3.38Å; V122-Y303 PolarHBondContact O-OH 3.39Å |
| 123 | Y | 92.2 | Very high | 96.6 | Very high | 73 Ų | 73 | 40 Ų | 40 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -94.9 | 12.8 | -163.3 | -62.7 | -72.2 | 0 | 0 | 0 | 116.9 | D84 R85 I119 Y303 | D84-Y123 WeakPolarHBondContact CB-O 3.41Å; R85-Y123 VanDerWaalsContact CZ-CE1 3.47Å; R85-Y123 PolarHBondContact N-O 3Å; R85-Y123 VanDerWaalsContact NH1-CE1 3.28Å; I119-Y123 HydrophobicContact CB-CD2 4.39Å; I119-Y123 HydrophobicContact CD1-CE2 4.32Å; I119-Y123 HydrophobicContact CG2-CD2 3.47Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.47Å; I119-Y123 HydrophobicContact CG2-CE2 3.99Å; I119-Y123 HydrophobicContact CG2-CG 4.48Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.29Å; I119-Y123 PolarHBondContact O-N 3.08Å; Y123-Y303 AromaticContact CD1-CD1 3.79Å; Y123-Y303 HydrophobicContact CD1-CD1 3.79Å; Y123-Y303 HydrophobicContact CD1-CE1 4.18Å; Y123-Y303 HydrophobicContact CE1-CD1 4.09Å; Y123-Y303 HydrophobicContact CE1-CE1 4.29Å |
| 124 | G | 92.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 120.6 | -21.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116 | D84 V122 Y126 D127 E128 | D84-G124 PolarHBondContact OD1-N 3.37Å; V122-G124 PolarHBondContact O-N 3Å; G124-Y126 VanDerWaalsContact C-N 3.34Å; G124-Y126 PolarHBondContact O-N 3.49Å; G124-D127 PolarHBondContact O-N 3.42Å; G124-E128 WeakPolarHBondContact O-CB 3.4Å; G124-E128 PolarHBondContact O-N 3.34Å |
| 125 | F | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -34.8 | -175 | 178.9 | -125.6 | 0 | 0 | 0 | 113.6 | V83 D84 L90 T120 E128 C129 W139 C142 F146 | V83-F125 HydrophobicContact CB-CB 4.11Å; V83-F125 HydrophobicContact CB-CD1 4.25Å; V83-F125 HydrophobicContact CB-CD2 4.16Å; V83-F125 HydrophobicContact CB-CG 3.91Å; V83-F125 HydrophobicContact CG1-CD1 4.24Å; V83-F125 HydrophobicContact CG1-CD2 4.08Å; V83-F125 HydrophobicContact CG1-CE1 4.25Å; V83-F125 HydrophobicContact CG1-CE2 4.07Å; V83-F125 HydrophobicContact CG1-CG 4.14Å; V83-F125 HydrophobicContact CG1-CZ 4.15Å; V83-F125 HydrophobicContact CG2-CB 4.32Å; V83-F125 HydrophobicContact CG2-CD1 4.23Å; V83-F125 HydrophobicContact CG2-CG 4.27Å; D84-F125 WeakPolarHBondContact OD1-CB 3.39Å; D84-F125 PolarHBondContact OD1-N 3.09Å; L90-F125 HydrophobicContact CB-CE2 4.21Å; L90-F125 HydrophobicContact CD1-CE2 4.47Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.73Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.06Å; F125-E128 PolarHBondContact O-N 3.27Å; F125-C129 WeakPolarHBondContact CE2-SG 3.18Å; F125-C129 PolarHBondContact O-N 2.87Å; F125-C129 VanDerWaalsContact O-N 3.07Å; F125-C129 PolarHBondContact O-SG 3.35Å; F125-C129 VanDerWaalsContact O-SG 3.33Å; F125-W139 AromaticContact CD1-CD1 3.77Å; F125-C142 HydrophobicContact CE1-CB 3.78Å; F125-C142 HydrophobicContact CZ-CB 3.74Å; F125-F146 HydrophobicContact CD1-CE2 4.23Å; F125-F146 HydrophobicContact CD1-CZ 4.09Å; F125-F146 AromaticContact CE1-CE2 3.97Å; F125-F146 HydrophobicContact CE1-CE2 3.97Å; F125-F146 AromaticContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CZ-CZ 4.36Å |
| 126 | Y | 98 | Very high | 96.4 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 26% | 0.255 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 173.6 | 178.7 | -90.3 | 0 | 0 | 0 | 111.5 | T120 Q121 G124 E128 C129 Q130 A136 W139 | T120-Y126 VanDerWaalsContact O-CB 3.3Å; T120-Y126 WeakPolarHBondContact O-CB 3.45Å; T120-Y126 PolarHBondContact O-N 2.86Å; Q121-Y126 HydrophobicContact CG-CD2 4.24Å; Q121-Y126 HydrophobicContact CG-CG 4.36Å; G124-Y126 VanDerWaalsContact C-N 3.34Å; G124-Y126 PolarHBondContact O-N 3.49Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 3.16Å; Y126-C129 PolarHBondContact O-N 3.36Å; Y126-Q130 WeakPolarHBondContact O-CB 3.43Å; Y126-Q130 PolarHBondContact O-N 3.48Å; Y126-A136 HydrophobicContact CE2-CB 3.97Å; Y126-W139 HydrophobicContact CD2-CB 4.43Å; Y126-W139 AromaticContact CD2-CD2 3.52Å; Y126-W139 HydrophobicContact CD2-CD2 3.52Å; Y126-W139 AromaticContact CD2-CE2 3.72Å; Y126-W139 AromaticContact CD2-CE3 3.81Å; Y126-W139 HydrophobicContact CD2-CE3 3.81Å; Y126-W139 AromaticContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CH2 4.45Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.28Å; Y126-W139 HydrophobicContact CE2-CD2 4.08Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.19Å |
| 127 | D | 95.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.4 | -37.3 | -179.2 | -70.6 | -21.3 | 0 | 0 | 0 | 111.8 | G124 Q130 T131 T301 | G124-D127 PolarHBondContact O-N 3.42Å; D127-Q130 PolarHBondContact O-N 2.88Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.06Å; D127-T131 PolarHBondContact O-N 2.72Å; D127-T131 PolarHBondContact O-OG1 3.24Å; D127-T301 HydrophobicContact CB-CG2 4.15Å; D127-T301 WeakPolarHBondContact OD2-CG2 3.3Å |
| 128 | E | 96.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 174.8 | -172.5 | -172.1 | 152.3 | 0 | 0 | 111.1 | S89 L90 G124 F125 Y126 T131 K132 | S89-E128 WeakPolarHBondContact CA-OE2 3.49Å; S89-E128 WeakPolarHBondContact CB-OE2 3.33Å; S89-E128 PolarHBondContact N-OE1 3.24Å; S89-E128 VanDerWaalsContact N-OE1 3.1Å; S89-E128 PolarHBondContact N-OE2 2.86Å; S89-E128 PolarHBondContact OG-OE2 2.84Å; S89-E128 VanDerWaalsContact OG-OE2 3.11Å; L90-E128 WeakPolarHBondContact CB-OE1 3.37Å; L90-E128 PolarHBondContact N-OE1 3.48Å; G124-E128 WeakPolarHBondContact O-CB 3.4Å; G124-E128 PolarHBondContact O-N 3.34Å; F125-E128 PolarHBondContact O-N 3.27Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 3.16Å; E128-T131 PolarHBondContact O-N 3.37Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.49Å; E128-K132 IonicContact OE1-NZ 2.78Å; E128-K132 PolarHBondContact OE1-NZ 2.79Å |
| 129 | C | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.3 | -71.7 | 0 | 0 | 0 | 0 | 112 | F125 Y126 T131 K132 Y133 A138 W139 | F125-C129 WeakPolarHBondContact CE2-SG 3.18Å; F125-C129 PolarHBondContact O-N 2.87Å; F125-C129 VanDerWaalsContact O-N 3.07Å; F125-C129 PolarHBondContact O-SG 3.35Å; F125-C129 VanDerWaalsContact O-SG 3.33Å; Y126-C129 PolarHBondContact O-N 3.36Å; C129-T131 VanDerWaalsContact C-N 3.28Å; C129-T131 PolarHBondContact O-N 2.9Å; C129-K132 PolarHBondContact O-N 2.66Å; C129-Y133 PolarHBondContact O-N 3.24Å; C129-A138 HydrophobicContact CB-CB 4.27Å; C129-W139 HydrophobicContact CB-CB 3.81Å |
| 130 | Q | 96.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 179.3 | -179.3 | 65.9 | 30.6 | 0 | 0 | 111.4 | Y126 D127 G134 N135 | Y126-Q130 WeakPolarHBondContact O-CB 3.43Å; Y126-Q130 PolarHBondContact O-N 3.48Å; D127-Q130 PolarHBondContact O-N 2.88Å; Q130-G134 PolarHBondContact NE2-O 3.49Å; Q130-G134 CarbonylContact O-C 3.51Å; Q130-G134 WeakPolarHBondContact O-CA 3.15Å; Q130-G134 PolarHBondContact O-N 3.26Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å |
| 131 | T | 95.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.4 | -43.3 | 179.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | D127 E128 C129 | D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.06Å; D127-T131 PolarHBondContact O-N 2.72Å; D127-T131 PolarHBondContact O-OG1 3.24Å; E128-T131 PolarHBondContact O-N 3.37Å; C129-T131 VanDerWaalsContact C-N 3.28Å; C129-T131 PolarHBondContact O-N 2.9Å |
| 132 | K | 95.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 43 Ų | 43 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.2 | -34.9 | -175.2 | -71.5 | 178.4 | -178.1 | 174.1 | 0 | 114 | Y18 L90 E91 E128 C129 | Y18-K132 HydrophobicContact CD1-CB 4.44Å; Y18-K132 HydrophobicContact CD1-CD 3.95Å; Y18-K132 HydrophobicContact CD1-CG 4.43Å; Y18-K132 HydrophobicContact CE1-CB 4.03Å; Y18-K132 HydrophobicContact CE1-CD 4.06Å; Y18-K132 HydrophobicContact CE1-CG 4.06Å; Y18-K132 HydrophobicContact CE2-CB 4.28Å; Y18-K132 PolarHBondContact OH-O 3.34Å; L90-K132 HydrophobicContact CD2-CB 4.25Å; L90-K132 HydrophobicContact CD2-CD 3.64Å; E91-K132 WeakPolarHBondContact OE1-CE 3.31Å; E91-K132 IonicContact OE1-NZ 3.73Å; E91-K132 PolarHBondContact OE1-NZ 2.94Å; E91-K132 IonicContact OE2-NZ 3.3Å; E91-K132 PolarHBondContact OE2-NZ 2.95Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CG 3.44Å; E128-K132 PolarHBondContact O-N 3.49Å; E128-K132 IonicContact OE1-NZ 2.78Å; E128-K132 PolarHBondContact OE1-NZ 2.79Å; C129-K132 PolarHBondContact O-N 2.66Å |
| 133 | Y | 96.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -105.2 | -8.1 | -179.5 | -68.9 | -83.8 | 0 | 0 | 0 | 114.1 | Y18 L19 E21 L24 L90 C129 N135 A138 | Y18-Y133 AromaticContact CD2-CE1 3.87Å; Y18-Y133 HydrophobicContact CD2-CE1 3.87Å; Y18-Y133 HydrophobicContact CD2-CE2 4.13Å; Y18-Y133 AromaticContact CD2-CZ 3.61Å; Y18-Y133 HydrophobicContact CE2-CE1 4.2Å; L19-Y133 WeakPolarHBondContact O-CE1 3.31Å; L19-Y133 PolarHBondContact O-OH 3.03Å; E21-Y133 HydrophobicContact CB-CD1 3.81Å; E21-Y133 HydrophobicContact CB-CE1 3.92Å; E21-Y133 HydrophobicContact CG-CD1 4.26Å; L24-Y133 HydrophobicContact CD2-CE2 4.08Å; L24-Y133 WeakPolarHBondContact CD2-OH 3.3Å; L90-Y133 HydrophobicContact CD1-CE2 4.03Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.36Å; L90-Y133 HydrophobicContact CG-CE2 4.3Å; C129-Y133 PolarHBondContact O-N 3.24Å; Y133-N135 PolarHBondContact O-N 3.41Å; Y133-N135 PolarHBondContact O-ND2 3.13Å; Y133-N135 VanDerWaalsContact O-ND2 3.14Å; Y133-A138 HydrophobicContact CD2-CB 3.26Å; Y133-A138 HydrophobicContact CE2-CB 3.3Å; Y133-A138 HydrophobicContact CG-CB 3.95Å |
| 134 | G | 97.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 42 Ų | 42 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 72.7 | 4.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q130 | Q130-G134 PolarHBondContact NE2-O 3.49Å; Q130-G134 CarbonylContact O-C 3.51Å; Q130-G134 WeakPolarHBondContact O-CA 3.15Å; Q130-G134 PolarHBondContact O-N 3.26Å |
| 135 | N | 97.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -158.8 | 168.7 | -178.8 | 73.9 | 76.2 | 0 | 0 | 0 | 111.6 | E21 Q130 Y133 N137 | E21-N135 PolarHBondContact OE2-ND2 3.48Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å; Y133-N135 PolarHBondContact O-N 3.41Å; Y133-N135 PolarHBondContact O-ND2 3.13Å; Y133-N135 VanDerWaalsContact O-ND2 3.14Å; N135-N137 PolarHBondContact O-N 3.04Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 2.83Å; N135-N137 PolarHBondContact OD1-ND2 2.93Å |
| 136 | A | 96.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -88.2 | 5.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y126 A138 W139 R140 | Y126-A136 HydrophobicContact CE2-CB 3.97Å; A136-A138 PolarHBondContact O-N 3.45Å; A136-W139 PolarHBondContact O-N 3.5Å; A136-R140 WeakPolarHBondContact O-CG 3.48Å; A136-R140 PolarHBondContact O-N 2.9Å |
| 137 | N | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | -174.7 | -69.7 | -19.3 | 0 | 0 | 0 | 112.3 | E21 N135 W139 R140 Y141 | E21-N137 WeakPolarHBondContact OE1-CB 3.45Å; E21-N137 PolarHBondContact OE1-ND2 2.91Å; N135-N137 PolarHBondContact O-N 3.04Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 2.83Å; N135-N137 PolarHBondContact OD1-ND2 2.93Å; N137-W139 VanDerWaalsContact C-N 3.3Å; N137-W139 PolarHBondContact O-N 3.08Å; N137-R140 WeakPolarHBondContact O-CA 3.26Å; N137-R140 WeakPolarHBondContact O-CB 3.47Å; N137-R140 PolarHBondContact O-N 2.75Å; N137-R140 PolarHBondContact OD1-NH1 2.88Å; N137-R140 VanDerWaalsContact OD1-NH1 3.16Å; N137-Y141 HydrophobicContact CB-CE1 4.47Å; N137-Y141 HydrophobicContact CB-CE2 3.79Å; N137-Y141 VanDerWaalsContact O-CD2 3.24Å; N137-Y141 WeakPolarHBondContact O-CD2 3.25Å; N137-Y141 PolarHBondContact O-N 3.14Å |
| 138 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L24 C129 Y133 A136 Y141 C142 | L24-A138 HydrophobicContact CD2-CB 3.6Å; C129-A138 HydrophobicContact CB-CB 4.27Å; Y133-A138 HydrophobicContact CD2-CB 3.26Å; Y133-A138 HydrophobicContact CE2-CB 3.3Å; Y133-A138 HydrophobicContact CG-CB 3.95Å; A136-A138 PolarHBondContact O-N 3.45Å; A138-Y141 PolarHBondContact O-N 3.22Å; A138-C142 PolarHBondContact O-N 2.87Å; A138-C142 PolarHBondContact O-SG 2.87Å |
| 139 | W | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.2 | 173.5 | 83 | 0 | 0 | 0 | 111.9 | R117 T120 Q121 F125 Y126 C129 A136 N137 Y141 C142 T143 | R117-W139 HydrophobicContact CB-CH2 4.19Å; R117-W139 HydrophobicContact CB-CZ2 3.83Å; R117-W139 HydrophobicContact CG-CH2 4.11Å; R117-W139 HydrophobicContact CG-CZ2 3.9Å; T120-W139 PolarHBondContact OG1-NE1 3.08Å; Q121-W139 HydrophobicContact CG-CH2 4.39Å; Q121-W139 HydrophobicContact CG-CZ2 3.89Å; F125-W139 AromaticContact CD1-CD1 3.77Å; Y126-W139 HydrophobicContact CD2-CB 4.43Å; Y126-W139 AromaticContact CD2-CD2 3.52Å; Y126-W139 HydrophobicContact CD2-CD2 3.52Å; Y126-W139 AromaticContact CD2-CE2 3.72Å; Y126-W139 AromaticContact CD2-CE3 3.81Å; Y126-W139 HydrophobicContact CD2-CE3 3.81Å; Y126-W139 AromaticContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CG 3.79Å; Y126-W139 HydrophobicContact CD2-CH2 4.45Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.28Å; Y126-W139 HydrophobicContact CE2-CD2 4.08Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.19Å; C129-W139 HydrophobicContact CB-CB 3.81Å; A136-W139 PolarHBondContact O-N 3.5Å; N137-W139 VanDerWaalsContact C-N 3.3Å; N137-W139 PolarHBondContact O-N 3.08Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 3.37Å; W139-C142 PolarHBondContact O-N 2.83Å; W139-T143 HydrophobicContact CD2-CG2 4.11Å; W139-T143 HydrophobicContact CG-CG2 4.36Å; W139-T143 HydrophobicContact CZ2-CG2 4.02Å; W139-T143 WeakPolarHBondContact O-CB 3.42Å; W139-T143 WeakPolarHBondContact O-CG2 3.37Å; W139-T143 PolarHBondContact O-N 3.36Å; W139-T143 PolarHBondContact O-OG1 2.97Å |
| 140 | R | 98.7 | Very high | 97.8 | Very high | 140 Ų | 140 | 35.5 Ų | 35.5 | 53% | 0.528 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.2 | -69.1 | 175.9 | -178 | 137.6 | -1 | 112.4 | A136 N137 T143 K144 | A136-R140 WeakPolarHBondContact O-CG 3.48Å; A136-R140 PolarHBondContact O-N 2.9Å; N137-R140 WeakPolarHBondContact O-CA 3.26Å; N137-R140 WeakPolarHBondContact O-CB 3.47Å; N137-R140 PolarHBondContact O-N 2.75Å; N137-R140 PolarHBondContact OD1-NH1 2.88Å; N137-R140 VanDerWaalsContact OD1-NH1 3.16Å; R140-T143 WeakPolarHBondContact CA-OG1 3.24Å; R140-T143 PolarHBondContact O-OG1 2.64Å; R140-T143 VanDerWaalsContact O-OG1 3.13Å; R140-K144 PolarHBondContact O-N 3.35Å; R140-K144 VanDerWaalsContact O-N 3.15Å |
| 141 | Y | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 17% | 0.173 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -43.9 | 177.5 | -55.1 | -31 | 0 | 0 | 0 | 111.4 | E21 K25 N137 A138 W139 K144 V145 | E21-Y141 HydrophobicContact CG-CE2 4.1Å; K25-Y141 HydrophobicContact CB-CD2 3.75Å; K25-Y141 HydrophobicContact CB-CE2 3.59Å; K25-Y141 HydrophobicContact CB-CG 4.3Å; K25-Y141 HydrophobicContact CD-CE1 4.02Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.09Å; K25-Y141 HydrophobicContact CG-CD2 4.07Å; K25-Y141 HydrophobicContact CG-CE1 3.88Å; K25-Y141 HydrophobicContact CG-CE2 3.84Å; K25-Y141 HydrophobicContact CG-CG 4.2Å; N137-Y141 HydrophobicContact CB-CE1 4.47Å; N137-Y141 HydrophobicContact CB-CE2 3.79Å; N137-Y141 VanDerWaalsContact O-CD2 3.24Å; N137-Y141 WeakPolarHBondContact O-CD2 3.25Å; N137-Y141 PolarHBondContact O-N 3.14Å; A138-Y141 PolarHBondContact O-N 3.22Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 3.37Å; Y141-K144 PolarHBondContact O-N 3.19Å; Y141-V145 PolarHBondContact O-N 2.87Å |
| 142 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 178 | -62.9 | 0 | 0 | 0 | 0 | 112 | F93 F125 A138 W139 K144 V145 F146 | F93-C142 HydrophobicContact CD1-CB 4.04Å; F93-C142 HydrophobicContact CE1-CB 3.9Å; F125-C142 HydrophobicContact CE1-CB 3.78Å; F125-C142 HydrophobicContact CZ-CB 3.74Å; A138-C142 PolarHBondContact O-N 2.87Å; A138-C142 PolarHBondContact O-SG 2.87Å; W139-C142 PolarHBondContact O-N 2.83Å; C142-K144 VanDerWaalsContact C-N 3.28Å; C142-K144 PolarHBondContact O-N 3.06Å; C142-V145 CarbonylContact O-C 3.59Å; C142-V145 WeakPolarHBondContact O-CA 3.36Å; C142-V145 WeakPolarHBondContact O-CB 3.34Å; C142-V145 PolarHBondContact O-N 3.16Å; C142-F146 HydrophobicContact CB-CE1 4.36Å; C142-F146 HydrophobicContact CB-CZ 4.2Å; C142-F146 VanDerWaalsContact O-CD1 3.25Å; C142-F146 WeakPolarHBondContact O-CD1 3.38Å; C142-F146 WeakPolarHBondContact O-CG 3.33Å; C142-F146 PolarHBondContact O-N 2.88Å |
| 143 | T | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.8 | -27 | 178 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | R117 W139 R140 F146 D147 | R117-T143 HydrophobicContact CG-CG2 3.78Å; R117-T143 PolarHBondContact NH2-O 2.92Å; W139-T143 HydrophobicContact CD2-CG2 4.11Å; W139-T143 HydrophobicContact CG-CG2 4.36Å; W139-T143 HydrophobicContact CZ2-CG2 4.02Å; W139-T143 WeakPolarHBondContact O-CB 3.42Å; W139-T143 WeakPolarHBondContact O-CG2 3.37Å; W139-T143 PolarHBondContact O-N 3.36Å; W139-T143 PolarHBondContact O-OG1 2.97Å; R140-T143 WeakPolarHBondContact CA-OG1 3.24Å; R140-T143 PolarHBondContact O-OG1 2.64Å; R140-T143 VanDerWaalsContact O-OG1 3.13Å; T143-F146 HydrophobicContact CG2-CD2 3.69Å; T143-F146 HydrophobicContact CG2-CE2 3.74Å; T143-F146 WeakPolarHBondContact O-CB 3.33Å; T143-F146 PolarHBondContact O-N 2.97Å; T143-D147 PolarHBondContact O-N 3.44Å |
| 144 | K | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 24.2 Ų | 24.2 | 44% | 0.435 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 167.5 | -174.8 | -174.3 | 168.9 | -166.1 | 0 | 111.7 | D29 R140 Y141 C142 F146 | D29-K144 IonicContact OD1-NZ 2.91Å; D29-K144 PolarHBondContact OD1-NZ 2.93Å; R140-K144 PolarHBondContact O-N 3.35Å; R140-K144 VanDerWaalsContact O-N 3.15Å; Y141-K144 PolarHBondContact O-N 3.19Å; C142-K144 VanDerWaalsContact C-N 3.28Å; C142-K144 PolarHBondContact O-N 3.06Å; K144-F146 VanDerWaalsContact C-N 3.35Å |
| 145 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 174.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | C28 V31 L35 F93 L97 Y141 C142 D147 M148 L149 | C28-V145 HydrophobicContact CB-CG2 3.56Å; V31-V145 HydrophobicContact CG1-CG1 4.18Å; L35-V145 HydrophobicContact CD1-CG1 3.81Å; F93-V145 HydrophobicContact CE1-CB 4.38Å; F93-V145 HydrophobicContact CE1-CG1 4.48Å; F93-V145 HydrophobicContact CZ-CB 4.24Å; F93-V145 HydrophobicContact CZ-CG1 3.94Å; L97-V145 HydrophobicContact CD1-CG2 4.43Å; L97-V145 HydrophobicContact CD2-CG1 3.79Å; Y141-V145 PolarHBondContact O-N 2.87Å; C142-V145 CarbonylContact O-C 3.59Å; C142-V145 WeakPolarHBondContact O-CA 3.36Å; C142-V145 WeakPolarHBondContact O-CB 3.34Å; C142-V145 PolarHBondContact O-N 3.16Å; V145-D147 PolarHBondContact O-N 3.35Å; V145-M148 WeakPolarHBondContact O-CA 3.49Å; V145-M148 PolarHBondContact O-N 2.88Å; V145-L149 PolarHBondContact O-N 2.79Å |
| 146 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | 178.4 | -63 | -15.5 | 0 | 0 | 0 | 112.7 | V83 F93 R111 E115 T120 F125 C142 T143 K144 M148 L149 | V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.13Å; F93-F146 AromaticContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CE1 3.8Å; F93-F146 HydrophobicContact CD1-CZ 4.45Å; F93-F146 HydrophobicContact CD2-CE1 4.38Å; F93-F146 AromaticContact CE1-CD1 3.84Å; F93-F146 HydrophobicContact CE1-CD1 3.84Å; F93-F146 AromaticContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CE1 3.28Å; F93-F146 HydrophobicContact CE1-CZ 4.24Å; F93-F146 HydrophobicContact CE2-CD1 4.33Å; F93-F146 AromaticContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CG-CE1 4.32Å; F93-F146 AromaticContact CZ-CD1 3.6Å; F93-F146 HydrophobicContact CZ-CD1 3.6Å; F93-F146 AromaticContact CZ-CE1 3.38Å; F93-F146 HydrophobicContact CZ-CE1 3.38Å; R111-F146 VanDerWaalsContact CD-O 3.3Å; R111-F146 WeakPolarHBondContact CD-O 3.44Å; R111-F146 PolarHBondContact NE-O 3.41Å; R111-F146 VanDerWaalsContact NE-O 3.11Å; R111-F146 PolarHBondContact NH1-O 3.32Å; E115-F146 VanDerWaalsContact C-CD2 3.49Å; E115-F146 HydrophobicContact CB-CB 3.93Å; E115-F146 HydrophobicContact CB-CD1 3.77Å; E115-F146 HydrophobicContact CB-CD2 3.96Å; E115-F146 HydrophobicContact CB-CE1 4.23Å; E115-F146 HydrophobicContact CB-CE2 4.45Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.56Å; E115-F146 HydrophobicContact CG-CD2 4.39Å; E115-F146 HydrophobicContact CG-CE1 3.63Å; E115-F146 HydrophobicContact CG-CE2 4.5Å; E115-F146 HydrophobicContact CG-CG 3.97Å; E115-F146 HydrophobicContact CG-CZ 4.14Å; E115-F146 WeakPolarHBondContact O-CB 3.08Å; T120-F146 HydrophobicContact CG2-CE2 4.16Å; F125-F146 HydrophobicContact CD1-CE2 4.23Å; F125-F146 HydrophobicContact CD1-CZ 4.09Å; F125-F146 AromaticContact CE1-CE2 3.97Å; F125-F146 HydrophobicContact CE1-CE2 3.97Å; F125-F146 AromaticContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CE1-CZ 3.58Å; F125-F146 HydrophobicContact CZ-CZ 4.36Å; C142-F146 HydrophobicContact CB-CE1 4.36Å; C142-F146 HydrophobicContact CB-CZ 4.2Å; C142-F146 VanDerWaalsContact O-CD1 3.25Å; C142-F146 WeakPolarHBondContact O-CD1 3.38Å; C142-F146 WeakPolarHBondContact O-CG 3.33Å; C142-F146 PolarHBondContact O-N 2.88Å; T143-F146 HydrophobicContact CG2-CD2 3.69Å; T143-F146 HydrophobicContact CG2-CE2 3.74Å; T143-F146 WeakPolarHBondContact O-CB 3.33Å; T143-F146 PolarHBondContact O-N 2.97Å; K144-F146 VanDerWaalsContact C-N 3.35Å; F146-M148 PolarHBondContact O-N 2.89Å; F146-L149 HydrophobicContact CD1-CD1 4.13Å; F146-L149 PolarHBondContact O-N 2.73Å |
| 147 | D | 98.7 | Very high | 98.6 | Very high | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -24.9 | 177.9 | -62.7 | -20 | 0 | 0 | 0 | 112.9 | R111 R117 T143 V145 R181 N182 Q183 | R111-D147 IonicContact CZ-OD1 3.13Å; R111-D147 IonicContact NH1-OD1 3.22Å; R111-D147 IonicContact NH2-OD1 3.92Å; R111-D147 PolarHBondContact NH2-OD1 3.35Å; R117-D147 IonicContact CZ-OD1 2.8Å; R117-D147 IonicContact CZ-OD2 3.84Å; R117-D147 VanDerWaalsContact CZ-OD2 3.26Å; R117-D147 VanDerWaalsContact NH1-CG 3.31Å; R117-D147 IonicContact NH1-OD1 3.13Å; R117-D147 PolarHBondContact NH1-OD1 3.3Å; R117-D147 IonicContact NH1-OD2 3.77Å; R117-D147 PolarHBondContact NH1-OD2 2.87Å; R117-D147 IonicContact NH2-OD1 3.98Å; R117-D147 IonicContact NH2-OD2 2.83Å; R117-D147 PolarHBondContact NH2-OD2 3.27Å; T143-D147 PolarHBondContact O-N 3.44Å; V145-D147 PolarHBondContact O-N 3.35Å; D147-R181 CarbonylContact O-C 3.57Å; D147-N182 WeakPolarHBondContact O-CA 3.48Å; D147-Q183 VanDerWaalsContact OD1-O 3.12Å |
| 148 | M | 98.3 | Very high | 98.6 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -93.5 | -13.1 | -178.6 | -59.9 | -55.9 | -63.3 | 0 | 0 | 113.5 | C32 L35 L36 V145 F146 T150 R181 N182 | C32-M148 HydrophobicContact CB-CG 4.36Å; L35-M148 HydrophobicContact CB-CB 3.76Å; L35-M148 HydrophobicContact CD1-CB 3.95Å; L36-M148 HydrophobicContact CB-CE 3.71Å; L36-M148 HydrophobicContact CD1-CE 3.48Å; L36-M148 VanDerWaalsContact CD1-CE 3.48Å; L36-M148 HydrophobicContact CG-CE 4.2Å; V145-M148 WeakPolarHBondContact O-CA 3.49Å; V145-M148 PolarHBondContact O-N 2.88Å; F146-M148 PolarHBondContact O-N 2.89Å; M148-T150 PolarHBondContact O-N 2.76Å; M148-R181 PolarHBondContact O-NE 2.99Å; M148-R181 PolarHBondContact O-NH2 2.92Å; M148-N182 HydrophobicContact SD-CB 3.97Å; M148-N182 PolarHBondContact SD-OD1 2.86Å |
| 149 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -58.9 | 137.6 | -179.6 | -72.2 | 173.4 | 0 | 0 | 0 | 111.3 | L35 F82 L109 R111 E115 V145 F146 R181 | L35-L149 HydrophobicContact CD1-CD2 4.03Å; F82-L149 HydrophobicContact CE2-CD1 4Å; L109-L149 HydrophobicContact CB-CD2 3.68Å; L109-L149 HydrophobicContact CD1-CD2 4.5Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.39Å; R111-L149 HydrophobicContact CG-CB 4.07Å; R111-L149 HydrophobicContact CG-CD1 4.23Å; E115-L149 HydrophobicContact CB-CD1 4.01Å; E115-L149 HydrophobicContact CG-CD1 3.73Å; V145-L149 PolarHBondContact O-N 2.79Å; F146-L149 HydrophobicContact CD1-CD1 4.13Å; F146-L149 PolarHBondContact O-N 2.73Å; L149-R181 WeakPolarHBondContact O-CD 3.39Å |
| 150 | T | 98 | Very high | 98.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 151.2 | -178.6 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | E38 S39 Q42 L109 L110 R111 M148 | E38-T150 HydrophobicContact CB-CG2 3.66Å; E38-T150 VanDerWaalsContact OE2-CG2 3.29Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.15Å; S39-T150 WeakPolarHBondContact O-CG2 3.41Å; Q42-T150 HydrophobicContact CB-CG2 4.39Å; L109-T150 PolarHBondContact O-N 2.9Å; L109-T150 PolarHBondContact O-OG1 2.85Å; L110-T150 CarbonylContact C-O 3.58Å; L110-T150 VanDerWaalsContact CA-O 3.25Å; L110-T150 WeakPolarHBondContact CA-O 3.02Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.48Å; R111-T150 PolarHBondContact N-O 3.48Å; M148-T150 PolarHBondContact O-N 2.76Å |
| 151 | V | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -85.1 | -36.9 | -174.8 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | N40 I176 R181 F191 L194 | N40-V151 HydrophobicContact CB-CG2 4.44Å; N40-V151 PolarHBondContact O-N 3.43Å; V151-I176 HydrophobicContact CB-CG2 4.35Å; V151-I176 HydrophobicContact CG1-CG2 4.07Å; V151-R181 HydrophobicContact CG2-CB 3.96Å; V151-F191 HydrophobicContact CG1-CD2 4.32Å; V151-F191 HydrophobicContact CG1-CE2 4.34Å; V151-F191 HydrophobicContact CG2-CD2 4.31Å; V151-F191 HydrophobicContact CG2-CE2 3.86Å; V151-F191 HydrophobicContact CG2-CZ 4.36Å; V151-L194 HydrophobicContact CG1-CB 4.28Å; V151-L194 HydrophobicContact CG1-CD1 3.46Å; V151-L194 VanDerWaalsContact CG1-CD1 3.46Å |
| 152 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N40 V41 Q42 L160 C161 V162 I176 | N40-A152 PolarHBondContact O-N 2.74Å; V41-A152 CarbonylContact C-O 3.14Å; V41-A152 WeakPolarHBondContact CA-O 3.35Å; V41-A152 HydrophobicContact CG1-CB 4.46Å; V41-A152 HydrophobicContact CG2-CB 4.29Å; Q42-A152 PolarHBondContact N-O 3.17Å; A152-L160 HydrophobicContact CB-CD1 3.91Å; A152-C161 CarbonylContact C-O 3.55Å; A152-C161 WeakPolarHBondContact CA-O 3.34Å; A152-C161 WeakPolarHBondContact CB-O 3.42Å; A152-V162 HydrophobicContact CB-CG1 3.71Å; A152-I176 HydrophobicContact CB-CG2 4.27Å |
| 153 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q42 V44 I77 T108 L110 C161 | Q42-A153 CarbonylContact O-C 3.6Å; Q42-A153 VanDerWaalsContact O-CA 3.25Å; Q42-A153 WeakPolarHBondContact O-CA 3.1Å; V44-A153 HydrophobicContact CG2-CB 4.18Å; I77-A153 HydrophobicContact CD1-CB 3.87Å; I77-A153 HydrophobicContact CG1-CB 4.47Å; I77-A153 HydrophobicContact CG2-CB 4.06Å; T108-A153 HydrophobicContact CG2-CB 4.35Å; L110-A153 HydrophobicContact CD1-CB 4.47Å; L110-A153 HydrophobicContact CD2-CB 4.15Å; A153-C161 HydrophobicContact CB-CB 3.95Å; A153-C161 PolarHBondContact N-O 3.18Å; A153-C161 PolarHBondContact O-N 2.82Å |
| 154 | L | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 107.7 | 175 | -174.3 | 67.8 | 0 | 0 | 0 | 109.8 | V41 Q42 V44 E157 V159 L173 L230 | V41-L154 HydrophobicContact CG1-CB 3.78Å; Q42-L154 PolarHBondContact O-N 2.78Å; V44-L154 PolarHBondContact N-O 2.96Å; L154-E157 HydrophobicContact CD2-CB 4.4Å; L154-V159 WeakPolarHBondContact CA-O 3.49Å; L154-L173 HydrophobicContact CD1-CD1 4.02Å; L154-L173 HydrophobicContact CD2-CD1 3.97Å; L154-L230 HydrophobicContact CD1-CD2 3.71Å |
| 155 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.4 | -179.1 | -49.4 | 169.7 | 0 | 0 | 0 | 109.1 | V44 T46 V48 V50 I77 E157 Q158 V159 F274 | V44-I155 CarbonylContact O-C 3.5Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.05Å; T46-I155 HydrophobicContact CG2-CG2 3.55Å; V48-I155 HydrophobicContact CG1-CD1 3.8Å; V48-I155 HydrophobicContact CG1-CG1 4.18Å; V48-I155 HydrophobicContact CG1-CG2 3.86Å; V50-I155 HydrophobicContact CG2-CD1 3.75Å; I77-I155 HydrophobicContact CD1-CD1 3.79Å; I77-I155 HydrophobicContact CD1-CG1 3.6Å; I155-E157 PolarHBondContact O-N 3.19Å; I155-Q158 PolarHBondContact O-N 3.35Å; I155-V159 HydrophobicContact CB-CB 4.09Å; I155-V159 HydrophobicContact CD1-CB 4.34Å; I155-V159 HydrophobicContact CD1-CG1 4.29Å; I155-V159 HydrophobicContact CG1-CB 4.5Å; I155-V159 PolarHBondContact N-O 3.44Å; I155-V159 PolarHBondContact O-N 3.35Å; I155-V159 VanDerWaalsContact O-N 3.1Å; I155-F274 HydrophobicContact CD1-CD2 4.13Å; I155-F274 HydrophobicContact CD1-CE2 4.27Å; I155-F274 HydrophobicContact CD1-CG 4.47Å |
| 156 | D | 98.5 | Very high | 98.6 | Very high | 54 Ų | 54 | 14.6 Ų | 14.6 | 29% | 0.289 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 38.3 | 178 | -61.9 | -29.8 | 0 | 0 | 0 | 113.1 | V44 S45 T46 Q158 V277 | V44-D156 PolarHBondContact O-N 3.49Å; S45-D156 VanDerWaalsContact CA-OD1 3.29Å; S45-D156 WeakPolarHBondContact CA-OD1 3.47Å; T46-D156 VanDerWaalsContact CB-OD2 3.29Å; T46-D156 WeakPolarHBondContact CB-OD2 3.46Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.01Å; T46-D156 PolarHBondContact N-OD1 2.97Å; T46-D156 PolarHBondContact N-OD2 3.49Å; T46-D156 PolarHBondContact OG1-OD2 2.84Å; D156-Q158 WeakPolarHBondContact O-CG 3.41Å; D156-Q158 PolarHBondContact O-N 3.06Å; D156-V277 HydrophobicContact CB-CG1 3.41Å; D156-V277 VanDerWaalsContact CB-CG1 3.41Å |
| 157 | E | 98.3 | Very high | 98.6 | Very high | 156 Ų | 156 | 14.6 Ų | 14.6 | 73% | 0.729 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 7.4 | -178.9 | -54 | -172.3 | 139.5 | 0 | 0 | 116.2 | L154 I155 | L154-E157 HydrophobicContact CD2-CB 4.4Å; I155-E157 PolarHBondContact O-N 3.19Å |
| 158 | Q | 98.4 | Very high | 98.6 | Very high | 47 Ų | 47 | 16 Ų | 16 | 22% | 0.22 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -15.7 | -171.5 | -66 | -163.8 | -32.7 | 0 | 0 | 115.4 | I155 D156 L230 K231 V277 | I155-Q158 PolarHBondContact O-N 3.35Å; D156-Q158 WeakPolarHBondContact O-CG 3.41Å; D156-Q158 PolarHBondContact O-N 3.06Å; Q158-L230 WeakPolarHBondContact O-CA 3.45Å; Q158-K231 HydrophobicContact CB-CD 4.35Å; Q158-K231 HydrophobicContact CB-CG 4.36Å; Q158-K231 PolarHBondContact O-N 3.24Å; Q158-V277 HydrophobicContact CB-CB 4.39Å; Q158-V277 HydrophobicContact CB-CG1 4.02Å |
| 159 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.5 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110 | L154 I155 L232 C234 F274 | L154-V159 WeakPolarHBondContact CA-O 3.49Å; I155-V159 HydrophobicContact CB-CB 4.09Å; I155-V159 HydrophobicContact CD1-CB 4.34Å; I155-V159 HydrophobicContact CD1-CG1 4.29Å; I155-V159 HydrophobicContact CG1-CB 4.5Å; I155-V159 PolarHBondContact N-O 3.44Å; I155-V159 PolarHBondContact O-N 3.35Å; I155-V159 VanDerWaalsContact O-N 3.1Å; V159-L232 WeakPolarHBondContact CA-O 3.49Å; V159-L232 HydrophobicContact CG1-CB 4.02Å; V159-L232 HydrophobicContact CG1-CD2 4Å; V159-L232 HydrophobicContact CG1-CG 4.11Å; V159-L232 HydrophobicContact CG2-CB 4.21Å; V159-C234 HydrophobicContact CG1-CB 4.3Å; V159-F274 HydrophobicContact CG1-CE1 4.32Å; V159-F274 HydrophobicContact CG1-CZ 4.17Å; V159-F274 HydrophobicContact CG2-CE1 4.19Å |
| 160 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.8 | 175.4 | 174.3 | 63.9 | 0 | 0 | 0 | 109.5 | A152 V162 L173 F224 L230 L232 I233 C234 | A152-L160 HydrophobicContact CB-CD1 3.91Å; L160-V162 HydrophobicContact CD1-CG1 4Å; L160-V162 HydrophobicContact CD2-CG1 4.25Å; L160-V162 HydrophobicContact CG-CG1 4.04Å; L160-L173 HydrophobicContact CD1-CD2 3.77Å; L160-L173 HydrophobicContact CD2-CD2 4Å; L160-L173 HydrophobicContact CG-CD2 4.36Å; L160-F224 HydrophobicContact CD2-CE1 3.61Å; L160-F224 HydrophobicContact CD2-CZ 4.06Å; L160-L230 HydrophobicContact CB-CD1 3.78Å; L160-L230 HydrophobicContact CB-CD2 4.46Å; L160-L230 HydrophobicContact CD2-CD1 4.34Å; L160-L232 PolarHBondContact N-O 3.35Å; L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.49Å; L160-I233 CarbonylContact O-C 3.55Å; L160-I233 WeakPolarHBondContact O-CA 3.35Å; L160-C234 PolarHBondContact O-N 2.87Å |
| 161 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.4 | 170 | -63 | 0 | 0 | 0 | 0 | 109.9 | I77 M79 L110 A152 A153 C234 | I77-C161 HydrophobicContact CG2-CB 4.3Å; M79-C161 HydrophobicContact CG-CB 4.43Å; M79-C161 HydrophobicContact SD-CB 4.22Å; L110-C161 HydrophobicContact CD1-CB 4.05Å; L110-C161 WeakPolarHBondContact CD1-O 3.49Å; A152-C161 CarbonylContact C-O 3.55Å; A152-C161 WeakPolarHBondContact CA-O 3.34Å; A152-C161 WeakPolarHBondContact CB-O 3.42Å; A153-C161 HydrophobicContact CB-CB 3.95Å; A153-C161 PolarHBondContact N-O 3.18Å; A153-C161 PolarHBondContact O-N 2.82Å; C161-C234 VanDerWaalsContact CA-O 3.3Å; C161-C234 WeakPolarHBondContact CA-O 3.19Å |
| 162 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 175.7 | -71.1 | 0 | 0 | 0 | 0 | 109.6 | A152 L160 L194 I233 C234 R235 | A152-V162 HydrophobicContact CB-CG1 3.71Å; L160-V162 HydrophobicContact CD1-CG1 4Å; L160-V162 HydrophobicContact CD2-CG1 4.25Å; L160-V162 HydrophobicContact CG-CG1 4.04Å; V162-L194 HydrophobicContact CG1-CD2 4.46Å; V162-I233 HydrophobicContact CG2-CG2 4.24Å; V162-C234 PolarHBondContact N-O 3.17Å; V162-R235 HydrophobicContact CG2-CB 4.38Å; V162-R235 WeakPolarHBondContact O-CA 3.48Å |
| 163 | H | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -67.1 | -62.2 | 177.7 | -174.4 | 55.3 | 0 | 0 | 0 | 112.1 | D53 M79 D81 G112 N113 V195 R235 A236 H237 | D53-H163 IonicContact OD1-CE1 3.76Å; D53-H163 PolarHBondContact OD1-CE1 2.85Å; D53-H163 IonicContact OD2-CE1 3.48Å; M79-H163 WeakPolarHBondContact O-CA 3.4Å; M79-H163 WeakPolarHBondContact O-CB 3.48Å; M79-H163 PolarHBondContact O-ND1 2.78Å; M79-H163 VanDerWaalsContact O-ND1 3.16Å; D81-H163 IonicContact OD1-CD2 3.69Å; D81-H163 IonicContact OD1-CE1 3.85Å; D81-H163 IonicContact OD1-NE2 2.88Å; D81-H163 PolarHBondContact OD1-NE2 3.48Å; D81-H163 VanDerWaalsContact OD1-NE2 3.13Å; D81-H163 IonicContact OD2-CE1 3.57Å; D81-H163 PolarHBondContact OD2-CE1 2.98Å; D81-H163 VanDerWaalsContact OD2-CE1 3.22Å; D81-H163 IonicContact OD2-NE2 2.64Å; D81-H163 PolarHBondContact OD2-NE2 2.82Å; G112-H163 WeakPolarHBondContact CA-CD2 3.13Å; G112-H163 VanDerWaalsContact CA-CG 3.5Å; N113-H163 PolarHBondContact N-CD2 3.12Å; N113-H163 VanDerWaalsContact N-CD2 3.3Å; N113-H163 PolarHBondContact OD1-CD2 3.02Å; N113-H163 PolarHBondContact OD1-NE2 3.33Å; H163-V195 PolarHBondContact CD2-O 3.4Å; H163-V195 VanDerWaalsContact CD2-O 3.31Å; H163-R235 PolarHBondContact O-NE 3.19Å; H163-R235 PolarHBondContact O-NH2 3.2Å; H163-A236 CarbonylContact O-C 3.55Å; H163-A236 PolarHBondContact O-N 3.05Å; H163-H237 AromaticContact NE2-CG 3.91Å; H163-H237 AromaticContact NE2-ND1 3.51Å |
| 164 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -78.1 | -102.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L194 S197 R235 | G164-L194 CarbonylContact C-O 3.12Å; G164-L194 WeakPolarHBondContact CA-O 3.18Å; G164-L194 PolarHBondContact N-O 2.99Å; G164-S197 CarbonylContact C-O 3.51Å; G164-S197 WeakPolarHBondContact CA-O 3.47Å; G164-R235 WeakPolarHBondContact O-CB 3.32Å; G164-R235 VanDerWaalsContact O-CD 3.29Å; G164-R235 WeakPolarHBondContact O-CD 3.49Å; G164-R235 PolarHBondContact O-NE 3.27Å; G164-R235 PolarHBondContact O-NH2 2.68Å |
| 165 | G | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -168.4 | -143.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L194 S197 | G165-L194 PolarHBondContact N-O 3.31Å; G165-L194 VanDerWaalsContact O-CD2 3.26Å; G165-L194 WeakPolarHBondContact O-CD2 3.3Å; G165-S197 PolarHBondContact N-O 3.07Å | ||
| 166 | L | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -88.3 | 162.2 | -176.2 | -60.1 | 179.2 | 0 | 0 | 0 | 111.6 | S197 W205 F216 V220 F224 I233 | L166-S197 VanDerWaalsContact O-CB 3.29Å; L166-S197 WeakPolarHBondContact O-CB 3.11Å; L166-S197 PolarHBondContact O-OG 3.46Å; L166-W205 HydrophobicContact CB-CH2 3.74Å; L166-W205 HydrophobicContact CB-CZ3 4.42Å; L166-F216 HydrophobicContact CB-CD2 4.42Å; L166-F216 HydrophobicContact CB-CG 4.43Å; L166-F216 HydrophobicContact CD1-CD2 4.15Å; L166-F216 HydrophobicContact CD1-CE2 4.18Å; L166-F216 HydrophobicContact CG-CD2 4.37Å; L166-F216 HydrophobicContact CG-CE2 4.18Å; L166-V220 HydrophobicContact CB-CG1 4.41Å; L166-V220 HydrophobicContact CD1-CG1 3.87Å; L166-F224 HydrophobicContact CD1-CB 3.81Å; L166-F224 HydrophobicContact CD1-CG 4.04Å; L166-F224 HydrophobicContact CD2-CB 4.48Å; L166-F224 HydrophobicContact CD2-CD1 3.81Å; L166-F224 HydrophobicContact CD2-CD2 3.93Å; L166-F224 HydrophobicContact CD2-CE1 3.96Å; L166-F224 HydrophobicContact CD2-CE2 4.07Å; L166-F224 HydrophobicContact CD2-CG 3.8Å; L166-F224 HydrophobicContact CD2-CZ 4.09Å; L166-I233 HydrophobicContact CD1-CD1 3.98Å; L166-I233 HydrophobicContact CD2-CD1 3.97Å; L166-I233 HydrophobicContact CG-CD1 4.28Å | ||
| 167 | S | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | trans | -123.2 | 142.2 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | D169 I170 D193 | S167-D169 PolarHBondContact O-N 3.48Å; S167-D169 PolarHBondContact OG-N 3.43Å; S167-I170 PolarHBondContact O-N 3.38Å; S167-I170 VanDerWaalsContact O-N 3.12Å; S167-I170 VanDerWaalsContact O-O 3.12Å; S167-D193 VanDerWaalsContact CB-CB 3.46Å; S167-D193 PolarHBondContact OG-OD2 2.98Å | ||
| 168 | P | 98.1 | Very high | 98.4 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | 172.1 | 26.6 | -34.9 | 0 | 0 | 0 | 113 | I170 W205 W214 | P168-I170 VanDerWaalsContact C-N 3.32Å; P168-W205 VanDerWaalsContact CA-CZ2 3.49Å; P168-W205 HydrophobicContact CB-CD2 4.23Å; P168-W205 HydrophobicContact CB-CZ2 4.06Å; P168-W205 VanDerWaalsContact N-CH2 3.29Å; P168-W214 VanDerWaalsContact CD-CD1 3.45Å; P168-W214 HydrophobicContact CG-CD2 4.19Å; P168-W214 HydrophobicContact CG-CG 4.29Å; P168-W214 HydrophobicContact CG-CZ2 4.18Å |
| 169 | D | 97.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.5 | 178.3 | -65.1 | -25.2 | 0 | 0 | 0 | 112.7 | S167 Q175 A190 | S167-D169 PolarHBondContact O-N 3.48Å; S167-D169 PolarHBondContact OG-N 3.43Å; D169-Q175 PolarHBondContact O-NE2 2.8Å; D169-A190 HydrophobicContact CB-CB 4.28Å |
| 170 | I | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | -121.1 | 111.4 | -173.6 | -54.6 | 179.2 | 0 | 0 | 0 | 109.9 | S167 P168 T172 Q175 I176 I179 A190 L194 F224 | S167-I170 PolarHBondContact O-N 3.38Å; S167-I170 VanDerWaalsContact O-N 3.12Å; S167-I170 VanDerWaalsContact O-O 3.12Å; P168-I170 VanDerWaalsContact C-N 3.32Å; I170-T172 WeakPolarHBondContact CG2-O 3.38Å; I170-Q175 HydrophobicContact CG2-CB 4.13Å; I170-I176 HydrophobicContact CD1-CG1 4.08Å; I170-I176 HydrophobicContact CG2-CD1 4.24Å; I170-I176 HydrophobicContact CG2-CG1 3.61Å; I170-I179 HydrophobicContact CD1-CD1 4.28Å; I170-A190 HydrophobicContact CD1-CB 3.78Å; I170-A190 HydrophobicContact CG1-CB 3.84Å; I170-L194 HydrophobicContact CD1-CD1 3.56Å; I170-L194 HydrophobicContact CD1-CD2 3.81Å; I170-L194 HydrophobicContact CD1-CG 3.64Å; I170-F224 HydrophobicContact CG2-CE2 4.09Å | ||
| 171 | K | 97.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 42 Ų | 42 | 55% | 0.548 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -103 | -26 | 173.9 | -61.8 | -173.9 | 177.5 | -171.3 | 0 | 112.5 | N228 | K171-N228 PolarHBondContact O-ND2 3.31Š|
| 172 | T | 98.4 | Very high | 98.2 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -128.5 | 152.5 | -174.7 | 62 | 0 | 0 | 0 | 0 | 112.5 | I170 D174 Q175 I227 N228 | I170-T172 WeakPolarHBondContact CG2-O 3.38Å; T172-D174 PolarHBondContact O-N 2.92Å; T172-Q175 WeakPolarHBondContact O-CB 2.93Å; T172-Q175 PolarHBondContact O-N 2.94Å; T172-Q175 VanDerWaalsContact O-N 3.16Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.31Å; T172-Q175 PolarHBondContact OG1-OE1 2.91Å; T172-I227 HydrophobicContact CG2-CG2 3.99Å; T172-N228 WeakPolarHBondContact CA-OD1 3.34Å |
| 173 | L | 98.4 | Very high | 98.1 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -32.3 | 173.6 | -65.6 | 174.3 | 0 | 0 | 0 | 112.4 | L154 L160 Q175 I176 R177 F224 N228 L230 | L154-L173 HydrophobicContact CD1-CD1 4.02Å; L154-L173 HydrophobicContact CD2-CD1 3.97Å; L160-L173 HydrophobicContact CD1-CD2 3.77Å; L160-L173 HydrophobicContact CD2-CD2 4Å; L160-L173 HydrophobicContact CG-CD2 4.36Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 3.36Å; L173-I176 HydrophobicContact CD2-CD1 4.16Å; L173-I176 WeakPolarHBondContact O-CB 3.29Å; L173-I176 PolarHBondContact O-N 3.35Å; L173-I176 VanDerWaalsContact O-N 3.1Å; L173-R177 PolarHBondContact O-N 3.35Å; L173-F224 HydrophobicContact CD2-CE1 4.37Å; L173-F224 HydrophobicContact CD2-CZ 4.27Å; L173-N228 HydrophobicContact CD1-CB 4.24Å; L173-N228 HydrophobicContact CG-CB 4.11Å; L173-N228 PolarHBondContact N-OD1 3.49Å; L173-L230 HydrophobicContact CD1-CD2 4.28Å |
| 174 | D | 98.1 | Very high | 98.1 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 177.5 | -73.8 | -31.5 | 0 | 0 | 0 | 112.6 | T172 I176 R177 T178 | T172-D174 PolarHBondContact O-N 2.92Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 2.8Å; D174-R177 WeakPolarHBondContact O-CB 3.1Å; D174-R177 PolarHBondContact O-N 3.18Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 3.79Å; D174-R177 IonicContact OD1-NH1 2.62Å; D174-R177 PolarHBondContact OD1-NH1 2.64Å; D174-T178 WeakPolarHBondContact O-CG2 3.48Å; D174-T178 PolarHBondContact O-N 3.25Å |
| 175 | Q | 98.5 | Very high | 98.1 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.8 | -68.9 | 171.5 | -79.3 | 0 | 0 | 111.6 | D169 I170 T172 L173 R177 T178 | D169-Q175 PolarHBondContact O-NE2 2.8Å; I170-Q175 HydrophobicContact CG2-CB 4.13Å; T172-Q175 WeakPolarHBondContact O-CB 2.93Å; T172-Q175 PolarHBondContact O-N 2.94Å; T172-Q175 VanDerWaalsContact O-N 3.16Å; T172-Q175 WeakPolarHBondContact OG1-CG 3.31Å; T172-Q175 PolarHBondContact OG1-OE1 2.91Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 3.36Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.4Å; Q175-T178 PolarHBondContact O-N 3.45Å; Q175-T178 PolarHBondContact O-OG1 3.22Å |
| 176 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 173.1 | -52.2 | 176.9 | 0 | 0 | 0 | 110.1 | V41 V151 A152 I170 L173 D174 T178 I179 L194 | V41-I176 HydrophobicContact CG2-CB 3.65Å; V41-I176 HydrophobicContact CG2-CG2 3.53Å; V151-I176 HydrophobicContact CB-CG2 4.35Å; V151-I176 HydrophobicContact CG1-CG2 4.07Å; A152-I176 HydrophobicContact CB-CG2 4.27Å; I170-I176 HydrophobicContact CD1-CG1 4.08Å; I170-I176 HydrophobicContact CG2-CD1 4.24Å; I170-I176 HydrophobicContact CG2-CG1 3.61Å; L173-I176 HydrophobicContact CD2-CD1 4.16Å; L173-I176 WeakPolarHBondContact O-CB 3.29Å; L173-I176 PolarHBondContact O-N 3.35Å; L173-I176 VanDerWaalsContact O-N 3.1Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 2.8Å; I176-T178 PolarHBondContact O-N 2.91Å; I176-I179 HydrophobicContact CG2-CD1 4.3Å; I176-I179 WeakPolarHBondContact O-CB 3.49Å; I176-I179 PolarHBondContact O-N 3.49Å; I176-L194 HydrophobicContact CD1-CD2 4.3Å; I176-L194 HydrophobicContact CG1-CD1 4.19Å; I176-L194 HydrophobicContact CG2-CD1 3.87Å |
| 177 | R | 98.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.1 | -30.9 | 178.9 | -65.5 | 175.7 | 177.3 | 135.6 | -1.1 | 112.7 | N40 V41 L173 D174 Q175 | N40-R177 PolarHBondContact ND2-O 2.74Å; V41-R177 HydrophobicContact CB-CG 3.99Å; V41-R177 HydrophobicContact CG2-CG 3.67Å; L173-R177 PolarHBondContact O-N 3.35Å; D174-R177 WeakPolarHBondContact O-CB 3.1Å; D174-R177 PolarHBondContact O-N 3.18Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 3.79Å; D174-R177 IonicContact OD1-NH1 2.62Å; D174-R177 PolarHBondContact OD1-NH1 2.64Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.4Å |
| 178 | T | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 68.9 Ų | 68.9 | 70% | 0.699 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2.4 | -178 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | D174 Q175 I176 E180 | D174-T178 WeakPolarHBondContact O-CG2 3.48Å; D174-T178 PolarHBondContact O-N 3.25Å; Q175-T178 PolarHBondContact O-N 3.45Å; Q175-T178 PolarHBondContact O-OG1 3.22Å; I176-T178 PolarHBondContact O-N 2.91Å; T178-E180 PolarHBondContact O-N 3.38Å |
| 179 | I | 98 | Very high | 97.7 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | trans | -64.7 | 129.3 | -179.8 | -68.5 | 174.2 | 0 | 0 | 0 | 110.4 | N40 I170 I176 R181 A190 F191 L194 | N40-I179 PolarHBondContact ND2-O 3.18Å; I170-I179 HydrophobicContact CD1-CD1 4.28Å; I176-I179 HydrophobicContact CG2-CD1 4.3Å; I176-I179 WeakPolarHBondContact O-CB 3.49Å; I176-I179 PolarHBondContact O-N 3.49Å; I179-R181 PolarHBondContact O-N 3.24Å; I179-A190 HydrophobicContact CD1-CB 4.41Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.85Å; I179-F191 HydrophobicContact CG2-CD1 4.01Å; I179-F191 HydrophobicContact CG2-CD2 4.34Å; I179-F191 HydrophobicContact CG2-CG 3.83Å; I179-L194 HydrophobicContact CD1-CD1 3.48Å; I179-L194 VanDerWaalsContact CD1-CD1 3.48Å | ||
| 180 | E | 97.4 | Very high | 97.7 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | trans | -71.7 | 100 | 166.3 | 179.1 | 53 | -106.3 | 0 | 0 | 108.3 | T178 N182 Q183 | T178-E180 PolarHBondContact O-N 3.38Å; E180-N182 WeakPolarHBondContact OE1-CB 3.42Å; E180-N182 PolarHBondContact OE1-N 3.21Å; E180-Q183 PolarHBondContact O-NE2 2.86Å | ||
| 181 | R | 97.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | trans | -87 | -23.8 | -175.1 | 70.6 | 156.7 | 177.8 | -113.4 | 8 | 113.9 | L35 E38 S39 N40 R111 D147 M148 L149 V151 I179 Q183 F191 | L35-R181 PolarHBondContact O-NH2 3.27Å; E38-R181 PolarHBondContact O-NH1 3.3Å; E38-R181 PolarHBondContact O-NH2 3.17Å; S39-R181 PolarHBondContact O-NH1 2.74Å; N40-R181 VanDerWaalsContact N-NH1 3.17Å; N40-R181 WeakPolarHBondContact OD1-CB 3.37Å; N40-R181 WeakPolarHBondContact OD1-CD 3.41Å; N40-R181 WeakPolarHBondContact OD1-CG 3.33Å; N40-R181 PolarHBondContact OD1-NH1 3.46Å; R111-R181 PolarHBondContact NH1-O 2.81Å; D147-R181 CarbonylContact O-C 3.57Å; M148-R181 PolarHBondContact O-NE 2.99Å; M148-R181 PolarHBondContact O-NH2 2.92Å; L149-R181 WeakPolarHBondContact O-CD 3.39Å; V151-R181 HydrophobicContact CG2-CB 3.96Å; I179-R181 PolarHBondContact O-N 3.24Å; R181-Q183 PolarHBondContact O-N 3.46Å; R181-F191 HydrophobicContact CB-CE1 4.39Å; R181-F191 HydrophobicContact CB-CZ 4.32Å | ||
| 182 | N | 97.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.6 | 61.6 | -174.2 | -174 | 14.4 | 0 | 0 | 0 | 111.7 | D147 M148 E180 | D147-N182 WeakPolarHBondContact O-CA 3.48Å; M148-N182 HydrophobicContact SD-CB 3.97Å; M148-N182 PolarHBondContact SD-OD1 2.86Å; E180-N182 WeakPolarHBondContact OE1-CB 3.42Å; E180-N182 PolarHBondContact OE1-N 3.21Å |
| 183 | Q | 97.8 | Very high | 97.7 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -157.3 | 167.5 | 179.6 | 58.9 | 179.5 | -46.2 | 0 | 0 | 109.6 | R111 D147 E180 R181 | R111-Q183 PolarHBondContact NH1-O 2.66Å; R111-Q183 PolarHBondContact NH2-O 2.84Å; D147-Q183 VanDerWaalsContact OD1-O 3.12Å; E180-Q183 PolarHBondContact O-NE2 2.86Å; R181-Q183 PolarHBondContact O-N 3.46Å |
| 184 | E | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 144.7 | 165.3 | -175.5 | 63 | -160.2 | 0 | 0 | 110.4 | S116 R117 P186 | S116-E184 WeakPolarHBondContact CA-OE1 3.17Å; S116-E184 VanDerWaalsContact CB-OE1 3.3Å; S116-E184 WeakPolarHBondContact CB-OE1 3.49Å; S116-E184 PolarHBondContact OG-OE1 3.25Å; R117-E184 WeakPolarHBondContact CB-OE2 3.15Å; R117-E184 WeakPolarHBondContact CD-OE2 3.22Å; R117-E184 VanDerWaalsContact CG-OE2 3.24Å; R117-E184 WeakPolarHBondContact CG-OE2 3.38Å; R117-E184 IonicContact CZ-OE2 3.55Å; R117-E184 PolarHBondContact N-OE1 3.22Å; R117-E184 PolarHBondContact N-OE2 3.23Å; R117-E184 IonicContact NE-OE2 3.68Å; R117-E184 IonicContact NH1-OE2 3.92Å; R117-E184 PolarHBondContact NH1-OE2 3.26Å; E184-P186 VanDerWaalsContact O-CD 3.27Å; E184-P186 WeakPolarHBondContact O-CD 3.34Å; E184-P186 VanDerWaalsContact O-N 3.16Å |
| 185 | I | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 120.2 | 177.3 | -57 | 176.3 | 0 | 0 | 0 | 108.9 | R111 F191 V195 | R111-I185 HydrophobicContact CG-CD1 4.49Å; I185-F191 HydrophobicContact CG1-CZ 4.48Å; I185-V195 HydrophobicContact CD1-CG2 4.21Å; I185-V195 HydrophobicContact CG2-CG2 3.91Å |
| 186 | P | 97.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 156.9 | 178.1 | -23.2 | 34.3 | 0 | 0 | 0 | 111.8 | E184 K188 F191 C192 | E184-P186 VanDerWaalsContact O-CD 3.27Å; E184-P186 WeakPolarHBondContact O-CD 3.34Å; E184-P186 VanDerWaalsContact O-N 3.16Å; P186-K188 PolarHBondContact O-N 2.93Å; P186-F191 HydrophobicContact CG-CD1 4.42Å; P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.49Å; P186-C192 PolarHBondContact O-SG 2.97Å |
| 187 | H | 94.7 | Very high | 97.8 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 63% | 0.625 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -71.3 | -14.4 | 176.6 | -64.2 | -78.9 | 0 | 0 | 0 | 114 | Q118 C192 | Q118-H187 PolarHBondContact NE2-CE1 3.25Å; Q118-H187 VanDerWaalsContact NE2-CE1 3.26Å; Q118-H187 PolarHBondContact NE2-NE2 2.85Å; Q118-H187 PolarHBondContact OE1-CE1 3.37Å; H187-C192 PolarHBondContact O-SG 3.38Å |
| 188 | K | 95.6 | Very high | 97.8 | Very high | 175 Ų | 175 | 45.6 Ų | 45.6 | 76% | 0.761 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -158.1 | 165.1 | -178.3 | 63.9 | 178.5 | -178.7 | 177.8 | 0 | 112.1 | P186 | P186-K188 PolarHBondContact O-N 2.93Š|
| 189 | G | 97.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 92.3 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F191 C192 D193 | G189-F191 VanDerWaalsContact C-N 3.32Å; G189-F191 PolarHBondContact O-N 3.11Å; G189-C192 WeakPolarHBondContact O-CA 3.25Å; G189-C192 VanDerWaalsContact O-CB 3.28Å; G189-C192 WeakPolarHBondContact O-CB 3.14Å; G189-C192 PolarHBondContact O-N 2.9Å; G189-D193 PolarHBondContact O-N 3.38Å |
| 190 | A | 97.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -30.8 | -55.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D169 I170 I179 D193 L194 | D169-A190 HydrophobicContact CB-CB 4.28Å; I170-A190 HydrophobicContact CD1-CB 3.78Å; I170-A190 HydrophobicContact CG1-CB 3.84Å; I179-A190 HydrophobicContact CD1-CB 4.41Å; A190-D193 PolarHBondContact O-N 3.37Å; A190-L194 WeakPolarHBondContact O-CG 3.45Å; A190-L194 PolarHBondContact O-N 2.74Å |
| 191 | F | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -42.6 | -177.6 | -170.7 | -168 | 0 | 0 | 0 | 112.8 | V151 I179 R181 I185 P186 G189 D193 L194 V195 | V151-F191 HydrophobicContact CG1-CD2 4.32Å; V151-F191 HydrophobicContact CG1-CE2 4.34Å; V151-F191 HydrophobicContact CG2-CD2 4.31Å; V151-F191 HydrophobicContact CG2-CE2 3.86Å; V151-F191 HydrophobicContact CG2-CZ 4.36Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.85Å; I179-F191 HydrophobicContact CG2-CD1 4.01Å; I179-F191 HydrophobicContact CG2-CD2 4.34Å; I179-F191 HydrophobicContact CG2-CG 3.83Å; R181-F191 HydrophobicContact CB-CE1 4.39Å; R181-F191 HydrophobicContact CB-CZ 4.32Å; I185-F191 HydrophobicContact CG1-CZ 4.48Å; P186-F191 HydrophobicContact CG-CD1 4.42Å; G189-F191 VanDerWaalsContact C-N 3.32Å; G189-F191 PolarHBondContact O-N 3.11Å; F191-D193 VanDerWaalsContact C-N 3.32Å; F191-D193 PolarHBondContact O-N 3.48Å; F191-L194 PolarHBondContact O-N 2.8Å; F191-V195 HydrophobicContact CE2-CG1 4.41Å |
| 192 | C | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | P186 H187 G189 L194 V195 W196 | P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.49Å; P186-C192 PolarHBondContact O-SG 2.97Å; H187-C192 PolarHBondContact O-SG 3.38Å; G189-C192 WeakPolarHBondContact O-CA 3.25Å; G189-C192 VanDerWaalsContact O-CB 3.28Å; G189-C192 WeakPolarHBondContact O-CB 3.14Å; G189-C192 PolarHBondContact O-N 2.9Å; C192-L194 VanDerWaalsContact C-N 3.35Å; C192-L194 PolarHBondContact O-N 2.8Å; C192-V195 VanDerWaalsContact O-CG2 3.3Å; C192-V195 WeakPolarHBondContact O-CG2 3.35Å; C192-V195 PolarHBondContact O-N 3.49Å; C192-W196 WeakPolarHBondContact O-CB 3.45Å; C192-W196 VanDerWaalsContact O-CD1 3.28Å; C192-W196 PolarHBondContact O-N 2.86Å; C192-W196 VanDerWaalsContact SG-CD1 3.57Å |
| 193 | D | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -175.4 | -61.2 | -17.7 | 0 | 0 | 0 | 112.2 | S167 G189 A190 F191 V195 W196 S197 | S167-D193 VanDerWaalsContact CB-CB 3.46Å; S167-D193 PolarHBondContact OG-OD2 2.98Å; G189-D193 PolarHBondContact O-N 3.38Å; A190-D193 PolarHBondContact O-N 3.37Å; F191-D193 VanDerWaalsContact C-N 3.32Å; F191-D193 PolarHBondContact O-N 3.48Å; D193-V195 PolarHBondContact O-N 2.92Å; D193-W196 PolarHBondContact O-N 2.88Å; D193-S197 WeakPolarHBondContact CA-OG 3.01Å; D193-S197 WeakPolarHBondContact O-CB 3.37Å; D193-S197 PolarHBondContact O-N 3.15Å; D193-S197 PolarHBondContact O-OG 3.13Å |
| 194 | L | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -24.5 | 179.3 | -74.6 | 175.4 | 0 | 0 | 0 | 113.6 | V151 V162 G164 G165 I170 I176 I179 A190 F191 C192 | V151-L194 HydrophobicContact CG1-CB 4.28Å; V151-L194 HydrophobicContact CG1-CD1 3.46Å; V151-L194 VanDerWaalsContact CG1-CD1 3.46Å; V162-L194 HydrophobicContact CG1-CD2 4.46Å; G164-L194 CarbonylContact C-O 3.12Å; G164-L194 WeakPolarHBondContact CA-O 3.18Å; G164-L194 PolarHBondContact N-O 2.99Å; G165-L194 PolarHBondContact N-O 3.31Å; G165-L194 VanDerWaalsContact O-CD2 3.26Å; G165-L194 WeakPolarHBondContact O-CD2 3.3Å; I170-L194 HydrophobicContact CD1-CD1 3.56Å; I170-L194 HydrophobicContact CD1-CD2 3.81Å; I170-L194 HydrophobicContact CD1-CG 3.64Å; I176-L194 HydrophobicContact CD1-CD2 4.3Å; I176-L194 HydrophobicContact CG1-CD1 4.19Å; I176-L194 HydrophobicContact CG2-CD1 3.87Å; I179-L194 HydrophobicContact CD1-CD1 3.48Å; I179-L194 VanDerWaalsContact CD1-CD1 3.48Å; A190-L194 WeakPolarHBondContact O-CG 3.45Å; A190-L194 PolarHBondContact O-N 2.74Å; F191-L194 PolarHBondContact O-N 2.8Å; C192-L194 VanDerWaalsContact C-N 3.35Å; C192-L194 PolarHBondContact O-N 2.8Å |
| 195 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -105.9 | -14.7 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | R111 N113 H163 I185 F191 C192 D193 | R111-V195 WeakPolarHBondContact O-CG1 3.42Å; N113-V195 HydrophobicContact CB-CB 4.27Å; N113-V195 HydrophobicContact CB-CG2 4.2Å; H163-V195 PolarHBondContact CD2-O 3.4Å; H163-V195 VanDerWaalsContact CD2-O 3.31Å; I185-V195 HydrophobicContact CD1-CG2 4.21Å; I185-V195 HydrophobicContact CG2-CG2 3.91Å; F191-V195 HydrophobicContact CE2-CG1 4.41Å; C192-V195 VanDerWaalsContact O-CG2 3.3Å; C192-V195 WeakPolarHBondContact O-CG2 3.35Å; C192-V195 PolarHBondContact O-N 3.49Å; D193-V195 PolarHBondContact O-N 2.92Å |
| 196 | W | 98.7 | Very high | 97.4 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 16% | 0.163 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -115.4 | -16.9 | -176.6 | -76.5 | 101.6 | 0 | 0 | 0 | 115.8 | N113 I119 C192 D193 R210 A212 H237 | N113-W196 HydrophobicContact CB-CD2 3.89Å; N113-W196 HydrophobicContact CB-CE3 4.42Å; N113-W196 HydrophobicContact CB-CG 4.32Å; N113-W196 HydrophobicContact CB-CH2 4.33Å; N113-W196 HydrophobicContact CB-CZ2 3.77Å; N113-W196 VanDerWaalsContact ND2-CH2 3.25Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.5Å; N113-W196 WeakPolarHBondContact ND2-CZ3 3.4Å; I119-W196 HydrophobicContact CD1-CH2 4.01Å; I119-W196 HydrophobicContact CD1-CZ2 3.84Å; I119-W196 HydrophobicContact CG1-CZ2 4.15Å; C192-W196 WeakPolarHBondContact O-CB 3.45Å; C192-W196 VanDerWaalsContact O-CD1 3.28Å; C192-W196 PolarHBondContact O-N 2.86Å; C192-W196 VanDerWaalsContact SG-CD1 3.57Å; D193-W196 PolarHBondContact O-N 2.88Å; W196-R210 HydrophobicContact CE3-CB 4.33Å; W196-A212 HydrophobicContact CB-CB 4.14Å; W196-A212 HydrophobicContact CD2-CB 3.9Å; W196-A212 HydrophobicContact CE3-CB 4.35Å; W196-A212 HydrophobicContact CG-CB 3.8Å; W196-H237 AromaticContact CE3-CE1 3.89Å; W196-H237 AromaticContact CE3-NE2 3.94Å |
| 197 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -76 | 152 | -173.4 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | G164 G165 L166 D193 W214 | G164-S197 CarbonylContact C-O 3.51Å; G164-S197 WeakPolarHBondContact CA-O 3.47Å; G165-S197 PolarHBondContact N-O 3.07Å; L166-S197 VanDerWaalsContact O-CB 3.29Å; L166-S197 WeakPolarHBondContact O-CB 3.11Å; L166-S197 PolarHBondContact O-OG 3.46Å; D193-S197 WeakPolarHBondContact CA-OG 3.01Å; D193-S197 WeakPolarHBondContact O-CB 3.37Å; D193-S197 PolarHBondContact O-N 3.15Å; D193-S197 PolarHBondContact O-OG 3.13Å; S197-W214 CarbonylContact C-O 3.57Å; S197-W214 WeakPolarHBondContact CA-O 3.44Å; S197-W214 WeakPolarHBondContact CB-O 3.29Å; S197-W214 PolarHBondContact OG-N 3.13Å | ||
| 198 | D | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | -172.9 | -81.7 | -26.8 | 0 | 0 | 0 | 112.7 | R210 W214 L215 F216 R235 H237 Q238 | D198-R210 IonicContact OD1-NH2 3.72Å; D198-R210 IonicContact OD2-CZ 2.67Å; D198-R210 IonicContact OD2-NE 2.72Å; D198-R210 PolarHBondContact OD2-NE 3.3Å; D198-R210 IonicContact OD2-NH2 2.64Å; D198-R210 PolarHBondContact OD2-NH2 3.01Å; D198-W214 PolarHBondContact N-O 3.22Å; D198-L215 HydrophobicContact CB-CD2 3.84Å; D198-L215 CarbonylContact O-C 3.47Å; D198-L215 VanDerWaalsContact O-CA 3.24Å; D198-L215 WeakPolarHBondContact O-CA 3.38Å; D198-F216 VanDerWaalsContact C-CD1 3.42Å; D198-F216 WeakPolarHBondContact O-CD1 3.34Å; D198-F216 WeakPolarHBondContact O-CE1 3.44Å; D198-F216 PolarHBondContact O-N 3.31Å; D198-R235 IonicContact OD1-CZ 3.76Å; D198-R235 IonicContact OD1-NH1 2.69Å; D198-R235 PolarHBondContact OD1-NH1 3.47Å; D198-R235 IonicContact OD1-NH2 2.92Å; D198-H237 IonicContact OD1-CD2 3.78Å; D198-H237 PolarHBondContact OD1-CD2 3.35Å; D198-H237 VanDerWaalsContact OD1-CD2 3.3Å; D198-Q238 WeakPolarHBondContact OD1-CG 3.41Å; D198-Q238 PolarHBondContact OD1-OE1 2.95Å; D198-Q238 PolarHBondContact OD2-NE2 3.45Å |
| 199 | P | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 139.9 | 166.8 | 31 | -37.1 | 0 | 0 | 0 | 111 | F216 Q238 M247 F248 L252 | P199-F216 VanDerWaalsContact CA-O 3.32Å; P199-F216 WeakPolarHBondContact CA-O 3.15Å; P199-F216 HydrophobicContact CB-CE1 4.39Å; P199-F216 HydrophobicContact CB-CE2 4.08Å; P199-F216 HydrophobicContact CB-CZ 3.92Å; P199-F216 HydrophobicContact CG-CZ 4.37Å; P199-F216 VanDerWaalsContact N-CE1 3.3Å; P199-Q238 VanDerWaalsContact CD-OE1 3.25Å; P199-M247 HydrophobicContact CB-CE 4.2Å; P199-M247 HydrophobicContact CB-SD 3.92Å; P199-M247 HydrophobicContact CG-SD 3.95Å; P199-F248 HydrophobicContact CB-CE2 3.61Å; P199-F248 HydrophobicContact CB-CZ 3.93Å; P199-L252 HydrophobicContact CB-CD1 4.22Å; P199-L252 HydrophobicContact CB-CD2 4.06Å; P199-L252 HydrophobicContact CG-CD1 4.46Å; P199-L252 HydrophobicContact CG-CD2 3.84Å |
| 200 | E | 97.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | trans | -146.9 | 162.1 | 175.2 | -171.9 | 54.5 | -84.7 | 0 | 0 | 110.9 | V202 L215 F216 F248 | E200-V202 HydrophobicContact CB-CG1 4.47Å; E200-V202 HydrophobicContact CB-CG2 4.43Å; E200-V202 HydrophobicContact CG-CG1 4.21Å; E200-V202 PolarHBondContact O-N 3.43Å; E200-L215 HydrophobicContact CB-CB 4.15Å; E200-L215 HydrophobicContact CB-CD1 4.32Å; E200-L215 HydrophobicContact CB-CD2 4.47Å; E200-L215 HydrophobicContact CG-CD1 4.24Å; E200-F216 PolarHBondContact N-O 3.02Å; E200-F248 WeakPolarHBondContact O-CZ 3.23Å | ||
| 201 | D | 95.4 | Very high | 96.9 | Very high | 135 Ų | 135 | 50.6 Ų | 50.6 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -72.7 | 56 | 173.3 | -68.4 | -27.9 | 0 | 0 | 0 | 112.1 | ||
| 202 | V | 95.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -112.8 | 161.5 | 169.8 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | E200 A206 G217 | E200-V202 HydrophobicContact CB-CG1 4.47Å; E200-V202 HydrophobicContact CB-CG2 4.43Å; E200-V202 HydrophobicContact CG-CG1 4.21Å; E200-V202 PolarHBondContact O-N 3.43Å; V202-A206 HydrophobicContact CG1-CB 4.3Å; V202-G217 WeakPolarHBondContact O-CA 3.26Å |
| 203 | D | 92.3 | Very high | 96.7 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.1 | -48.4 | 179.7 | -102.9 | 18.9 | 0 | 0 | 0 | 112.3 | K219 | D203-K219 HydrophobicContact CB-CD 4.43Å; D203-K219 VanDerWaalsContact O-CB 3.24Å; D203-K219 WeakPolarHBondContact O-CB 3.39Å; D203-K219 WeakPolarHBondContact O-CG 3.41Å; D203-K219 PolarHBondContact O-N 3.05Å; D203-K219 IonicContact OD2-NZ 3.87Å; D203-K219 PolarHBondContact OD2-NZ 3.47Å |
| 204 | T | 97.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -130.3 | -103.2 | -174.2 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | F216 G217 K219 | T204-F216 CarbonylContact O-C 3.51Å; T204-F216 WeakPolarHBondContact O-CA 3.48Å; T204-G217 PolarHBondContact O-N 2.82Å; T204-K219 HydrophobicContact CG2-CB 4.3Å; T204-K219 HydrophobicContact CG2-CD 4.12Å |
| 205 | W | 98.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 30% | 0.295 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142.8 | -179.3 | -62.2 | 101.5 | 0 | 0 | 0 | 110.2 | L166 P168 W214 L215 F216 V220 | L166-W205 HydrophobicContact CB-CH2 3.74Å; L166-W205 HydrophobicContact CB-CZ3 4.42Å; P168-W205 VanDerWaalsContact CA-CZ2 3.49Å; P168-W205 HydrophobicContact CB-CD2 4.23Å; P168-W205 HydrophobicContact CB-CZ2 4.06Å; P168-W205 VanDerWaalsContact N-CH2 3.29Å; W205-W214 HydrophobicContact CB-CE3 4.32Å; W205-W214 HydrophobicContact CE3-CB 3.65Å; W205-W214 HydrophobicContact CE3-CG 4.12Å; W205-W214 HydrophobicContact CZ3-CB 3.93Å; W205-W214 HydrophobicContact CZ3-CG 4.43Å; W205-L215 CarbonylContact C-O 3.5Å; W205-L215 WeakPolarHBondContact CA-O 3.34Å; W205-F216 HydrophobicContact CD2-CB 4.46Å; W205-F216 HydrophobicContact CE3-CB 3.7Å; W205-F216 HydrophobicContact CH2-CB 4.2Å; W205-F216 HydrophobicContact CZ3-CB 3.56Å; W205-F216 HydrophobicContact CZ3-CG 4.35Å; W205-V220 HydrophobicContact CD2-CG1 4.43Å; W205-V220 HydrophobicContact CD2-CG2 4.06Å; W205-V220 HydrophobicContact CG-CG2 4.19Å; W205-V220 HydrophobicContact CH2-CG1 3.61Å; W205-V220 HydrophobicContact CZ2-CB 4.32Å; W205-V220 HydrophobicContact CZ2-CG1 3.24Å; W205-V220 HydrophobicContact CZ2-CG2 4.09Å; W205-V220 HydrophobicContact CZ3-CG1 4.35Å |
| 206 | A | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 161.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V202 S208 L215 | V202-A206 HydrophobicContact CG1-CB 4.3Å; A206-S208 PolarHBondContact O-N 2.88Å; A206-L215 HydrophobicContact CB-CB 4.11Å; A206-L215 HydrophobicContact CB-CD1 4.41Å; A206-L215 PolarHBondContact N-O 2.71Å; A206-L215 PolarHBondContact O-N 3.46Å |
| 207 | I | 96.6 | Very high | 96.7 | Very high | 142 Ų | 142 | 54.5 Ų | 54.5 | 73% | 0.728 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.6 | -179.6 | -63.1 | 174 | 0 | 0 | 0 | 109.1 | W214 | I207-W214 HydrophobicContact CG1-CZ3 4.4Å |
| 208 | S | 96.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | trans | -69.3 | 132.3 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | A206 R210 G211 A212 G213 | A206-S208 PolarHBondContact O-N 2.88Å; S208-R210 PolarHBondContact O-N 3.21Å; S208-R210 WeakPolarHBondContact OG-CB 3.5Å; S208-R210 WeakPolarHBondContact OG-CG 3.49Å; S208-R210 PolarHBondContact OG-N 3.11Å; S208-G211 PolarHBondContact O-N 2.96Å; S208-A212 WeakPolarHBondContact CB-O 3.39Å; S208-A212 PolarHBondContact OG-O 2.86Å; S208-A212 VanDerWaalsContact OG-O 3.08Å; S208-G213 WeakPolarHBondContact CB-O 3.32Å | ||
| 209 | P | 94.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 75% | 0.747 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.4 | 173 | 31.1 | -35.5 | 0 | 0 | 0 | 112.5 | G211 | P209-G211 PolarHBondContact O-N 3.36Š|
| 210 | R | 92.6 | Very high | 96.7 | Very high | 104 Ų | 104 | 61.6 Ų | 61.6 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.8 | 176.4 | -58.1 | -175.6 | -178 | -101.3 | 9 | 113.2 | W196 D198 S208 A212 H237 | W196-R210 HydrophobicContact CE3-CB 4.33Å; D198-R210 IonicContact OD1-NH2 3.72Å; D198-R210 IonicContact OD2-CZ 2.67Å; D198-R210 IonicContact OD2-NE 2.72Å; D198-R210 PolarHBondContact OD2-NE 3.3Å; D198-R210 IonicContact OD2-NH2 2.64Å; D198-R210 PolarHBondContact OD2-NH2 3.01Å; S208-R210 PolarHBondContact O-N 3.21Å; S208-R210 WeakPolarHBondContact OG-CB 3.5Å; S208-R210 WeakPolarHBondContact OG-CG 3.49Å; S208-R210 PolarHBondContact OG-N 3.11Å; R210-A212 PolarHBondContact O-N 2.81Å; R210-H237 WeakPolarHBondContact CD-NE2 3.5Å; R210-H237 PolarHBondContact NE-NE2 3.45Å; R210-H237 PolarHBondContact NH1-NE2 3.23Å |
| 211 | G | 92.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 76% | 0.763 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 78.6 | 3.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S208 P209 | S208-G211 PolarHBondContact O-N 2.96Å; P209-G211 PolarHBondContact O-N 3.36Å |
| 212 | A | 95.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -147.4 | 151.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | W196 S208 R210 | W196-A212 HydrophobicContact CB-CB 4.14Å; W196-A212 HydrophobicContact CD2-CB 3.9Å; W196-A212 HydrophobicContact CE3-CB 4.35Å; W196-A212 HydrophobicContact CG-CB 3.8Å; S208-A212 WeakPolarHBondContact CB-O 3.39Å; S208-A212 PolarHBondContact OG-O 2.86Å; S208-A212 VanDerWaalsContact OG-O 3.08Å; R210-A212 PolarHBondContact O-N 2.81Å |
| 213 | G | 97.4 | Very high | 97 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 67.3 | -166.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | S208 | S208-G213 WeakPolarHBondContact CB-O 3.32Š|
| 214 | W | 98.5 | Very high | 97.3 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157 | -177.2 | -63 | 83.3 | 0 | 0 | 0 | 112 | P168 S197 D198 W205 I207 | P168-W214 VanDerWaalsContact CD-CD1 3.45Å; P168-W214 HydrophobicContact CG-CD2 4.19Å; P168-W214 HydrophobicContact CG-CG 4.29Å; P168-W214 HydrophobicContact CG-CZ2 4.18Å; S197-W214 CarbonylContact C-O 3.57Å; S197-W214 WeakPolarHBondContact CA-O 3.44Å; S197-W214 WeakPolarHBondContact CB-O 3.29Å; S197-W214 PolarHBondContact OG-N 3.13Å; D198-W214 PolarHBondContact N-O 3.22Å; W205-W214 HydrophobicContact CB-CE3 4.32Å; W205-W214 HydrophobicContact CE3-CB 3.65Å; W205-W214 HydrophobicContact CE3-CG 4.12Å; W205-W214 HydrophobicContact CZ3-CB 3.93Å; W205-W214 HydrophobicContact CZ3-CG 4.43Å; I207-W214 HydrophobicContact CG1-CZ3 4.4Å |
| 215 | L | 98.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.9 | 157.8 | -55.8 | -178.1 | 0 | 0 | 0 | 108.7 | D198 E200 W205 A206 | D198-L215 HydrophobicContact CB-CD2 3.84Å; D198-L215 CarbonylContact O-C 3.47Å; D198-L215 VanDerWaalsContact O-CA 3.24Å; D198-L215 WeakPolarHBondContact O-CA 3.38Å; E200-L215 HydrophobicContact CB-CB 4.15Å; E200-L215 HydrophobicContact CB-CD1 4.32Å; E200-L215 HydrophobicContact CB-CD2 4.47Å; E200-L215 HydrophobicContact CG-CD1 4.24Å; W205-L215 CarbonylContact C-O 3.5Å; W205-L215 WeakPolarHBondContact CA-O 3.34Å; A206-L215 HydrophobicContact CB-CB 4.11Å; A206-L215 HydrophobicContact CB-CD1 4.41Å; A206-L215 PolarHBondContact N-O 2.71Å; A206-L215 PolarHBondContact O-N 3.46Å |
| 216 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.7 | 178.7 | 67.3 | -86 | 0 | 0 | 0 | 113.4 | L166 D198 P199 E200 T204 W205 V220 F248 L252 | L166-F216 HydrophobicContact CB-CD2 4.42Å; L166-F216 HydrophobicContact CB-CG 4.43Å; L166-F216 HydrophobicContact CD1-CD2 4.15Å; L166-F216 HydrophobicContact CD1-CE2 4.18Å; L166-F216 HydrophobicContact CG-CD2 4.37Å; L166-F216 HydrophobicContact CG-CE2 4.18Å; D198-F216 VanDerWaalsContact C-CD1 3.42Å; D198-F216 WeakPolarHBondContact O-CD1 3.34Å; D198-F216 WeakPolarHBondContact O-CE1 3.44Å; D198-F216 PolarHBondContact O-N 3.31Å; P199-F216 VanDerWaalsContact CA-O 3.32Å; P199-F216 WeakPolarHBondContact CA-O 3.15Å; P199-F216 HydrophobicContact CB-CE1 4.39Å; P199-F216 HydrophobicContact CB-CE2 4.08Å; P199-F216 HydrophobicContact CB-CZ 3.92Å; P199-F216 HydrophobicContact CG-CZ 4.37Å; P199-F216 VanDerWaalsContact N-CE1 3.3Å; E200-F216 PolarHBondContact N-O 3.02Å; T204-F216 CarbonylContact O-C 3.51Å; T204-F216 WeakPolarHBondContact O-CA 3.48Å; W205-F216 HydrophobicContact CD2-CB 4.46Å; W205-F216 HydrophobicContact CE3-CB 3.7Å; W205-F216 HydrophobicContact CH2-CB 4.2Å; W205-F216 HydrophobicContact CZ3-CB 3.56Å; W205-F216 HydrophobicContact CZ3-CG 4.35Å; F216-V220 HydrophobicContact CB-CB 4.41Å; F216-V220 HydrophobicContact CB-CG1 4.14Å; F216-F248 HydrophobicContact CD2-CE2 4.47Å; F216-F248 HydrophobicContact CE2-CE2 4.37Å; F216-L252 HydrophobicContact CE2-CD1 3.49Å; F216-L252 VanDerWaalsContact CE2-CD1 3.49Å; F216-L252 HydrophobicContact CZ-CD1 3.61Å |
| 217 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -104.1 | -174.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V202 T204 K219 V220 T221 | V202-G217 WeakPolarHBondContact O-CA 3.26Å; T204-G217 PolarHBondContact O-N 2.82Å; G217-K219 PolarHBondContact O-N 3.16Å; G217-V220 PolarHBondContact O-N 3.26Å; G217-T221 PolarHBondContact O-N 2.76Å; G217-T221 VanDerWaalsContact O-N 3.12Å; G217-T221 PolarHBondContact O-OG1 3.36Å | ||
| 218 | A | 98.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T221 N222 F248 | A218-T221 PolarHBondContact O-N 3.3Å; A218-N222 VanDerWaalsContact O-CB 3.23Å; A218-N222 WeakPolarHBondContact O-CB 3.5Å; A218-N222 PolarHBondContact O-N 2.97Å; A218-N222 PolarHBondContact O-ND2 2.78Å; A218-F248 HydrophobicContact CB-CB 4.18Å; A218-F248 HydrophobicContact CB-CD1 3.5Å; A218-F248 VanDerWaalsContact CB-CD1 3.5Å; A218-F248 HydrophobicContact CB-CE1 4.08Å; A218-F248 HydrophobicContact CB-CG 3.97Å |
| 219 | K | 98.4 | Very high | 97.6 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | -177.7 | -64.6 | 174.6 | 176 | 165 | 0 | 111.5 | D203 T204 G217 N222 E223 | D203-K219 HydrophobicContact CB-CD 4.43Å; D203-K219 VanDerWaalsContact O-CB 3.24Å; D203-K219 WeakPolarHBondContact O-CB 3.39Å; D203-K219 WeakPolarHBondContact O-CG 3.41Å; D203-K219 PolarHBondContact O-N 3.05Å; D203-K219 IonicContact OD2-NZ 3.87Å; D203-K219 PolarHBondContact OD2-NZ 3.47Å; T204-K219 HydrophobicContact CG2-CB 4.3Å; T204-K219 HydrophobicContact CG2-CD 4.12Å; G217-K219 PolarHBondContact O-N 3.16Å; K219-N222 PolarHBondContact O-N 2.84Å; K219-E223 WeakPolarHBondContact O-CB 3.25Å; K219-E223 PolarHBondContact O-N 3.27Å |
| 220 | V | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L166 W205 F216 G217 N222 E223 F224 | L166-V220 HydrophobicContact CB-CG1 4.41Å; L166-V220 HydrophobicContact CD1-CG1 3.87Å; W205-V220 HydrophobicContact CD2-CG1 4.43Å; W205-V220 HydrophobicContact CD2-CG2 4.06Å; W205-V220 HydrophobicContact CG-CG2 4.19Å; W205-V220 HydrophobicContact CH2-CG1 3.61Å; W205-V220 HydrophobicContact CZ2-CB 4.32Å; W205-V220 HydrophobicContact CZ2-CG1 3.24Å; W205-V220 HydrophobicContact CZ2-CG2 4.09Å; W205-V220 HydrophobicContact CZ3-CG1 4.35Å; F216-V220 HydrophobicContact CB-CB 4.41Å; F216-V220 HydrophobicContact CB-CG1 4.14Å; G217-V220 PolarHBondContact O-N 3.26Å; V220-N222 PolarHBondContact O-N 3.3Å; V220-E223 PolarHBondContact O-N 3.03Å; V220-F224 WeakPolarHBondContact O-CB 3.29Å; V220-F224 PolarHBondContact O-N 3.2Å |
| 221 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | G217 A218 E223 F224 V225 I233 F248 K251 L252 | G217-T221 PolarHBondContact O-N 2.76Å; G217-T221 VanDerWaalsContact O-N 3.12Å; G217-T221 PolarHBondContact O-OG1 3.36Å; A218-T221 PolarHBondContact O-N 3.3Å; T221-E223 PolarHBondContact O-N 3.37Å; T221-F224 PolarHBondContact O-N 3.25Å; T221-V225 HydrophobicContact CG2-CG2 4.38Å; T221-V225 WeakPolarHBondContact O-CB 3.28Å; T221-V225 VanDerWaalsContact O-CG2 3.22Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 2.91Å; T221-I233 HydrophobicContact CG2-CD1 4.21Å; T221-F248 HydrophobicContact CG2-CB 4.31Å; T221-F248 HydrophobicContact CG2-CD2 3.93Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.42Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.12Å; T221-K251 HydrophobicContact CG2-CB 4.22Å; T221-L252 HydrophobicContact CG2-CB 4.16Å |
| 222 | N | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | -179.7 | -79.6 | -46.2 | 0 | 0 | 0 | 112.7 | A218 K219 V220 H226 K251 | A218-N222 VanDerWaalsContact O-CB 3.23Å; A218-N222 WeakPolarHBondContact O-CB 3.5Å; A218-N222 PolarHBondContact O-N 2.97Å; A218-N222 PolarHBondContact O-ND2 2.78Å; K219-N222 PolarHBondContact O-N 2.84Å; V220-N222 PolarHBondContact O-N 3.3Å; N222-H226 VanDerWaalsContact O-CB 3.3Å; N222-H226 WeakPolarHBondContact O-CB 3.49Å; N222-H226 PolarHBondContact O-N 3.34Å; N222-K251 WeakPolarHBondContact OD1-CD 3.2Å; N222-K251 WeakPolarHBondContact OD1-CE 3.29Å; N222-K251 PolarHBondContact OD1-NZ 3.34Å |
| 223 | E | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 178 | -178.2 | 177.6 | -178.7 | 0 | 0 | 111.1 | K219 V220 T221 V225 H226 I227 | K219-E223 WeakPolarHBondContact O-CB 3.25Å; K219-E223 PolarHBondContact O-N 3.27Å; V220-E223 PolarHBondContact O-N 3.03Å; T221-E223 PolarHBondContact O-N 3.37Å; E223-V225 PolarHBondContact O-N 3.46Å; E223-H226 PolarHBondContact O-N 3.27Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.36Å; E223-I227 WeakPolarHBondContact O-CB 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 2.71Å; E223-I227 PolarHBondContact O-N 3.43Å |
| 224 | F | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 179.9 | -171.2 | -83.7 | 0 | 0 | 0 | 111.9 | L160 L166 I170 L173 V220 T221 H226 I227 N228 L230 I233 | L160-F224 HydrophobicContact CD2-CE1 3.61Å; L160-F224 HydrophobicContact CD2-CZ 4.06Å; L166-F224 HydrophobicContact CD1-CB 3.81Å; L166-F224 HydrophobicContact CD1-CG 4.04Å; L166-F224 HydrophobicContact CD2-CB 4.48Å; L166-F224 HydrophobicContact CD2-CD1 3.81Å; L166-F224 HydrophobicContact CD2-CD2 3.93Å; L166-F224 HydrophobicContact CD2-CE1 3.96Å; L166-F224 HydrophobicContact CD2-CE2 4.07Å; L166-F224 HydrophobicContact CD2-CG 3.8Å; L166-F224 HydrophobicContact CD2-CZ 4.09Å; I170-F224 HydrophobicContact CG2-CE2 4.09Å; L173-F224 HydrophobicContact CD2-CE1 4.37Å; L173-F224 HydrophobicContact CD2-CZ 4.27Å; V220-F224 WeakPolarHBondContact O-CB 3.29Å; V220-F224 PolarHBondContact O-N 3.2Å; T221-F224 PolarHBondContact O-N 3.25Å; F224-H226 VanDerWaalsContact C-N 3.31Å; F224-H226 PolarHBondContact O-N 2.93Å; F224-I227 PolarHBondContact O-N 3.29Å; F224-N228 HydrophobicContact CE1-CB 4.49Å; F224-N228 WeakPolarHBondContact O-CB 3.1Å; F224-N228 PolarHBondContact O-N 3.12Å; F224-N228 VanDerWaalsContact O-N 3.11Å; F224-N228 PolarHBondContact O-ND2 3.11Å; F224-L230 HydrophobicContact CD1-CD1 4.08Å; F224-L230 HydrophobicContact CE1-CD1 3.79Å; F224-I233 HydrophobicContact CD1-CD1 4.03Å |
| 225 | V | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | T221 E223 N229 L230 I233 K251 | T221-V225 HydrophobicContact CG2-CG2 4.38Å; T221-V225 WeakPolarHBondContact O-CB 3.28Å; T221-V225 VanDerWaalsContact O-CG2 3.22Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 2.91Å; E223-V225 PolarHBondContact O-N 3.46Å; V225-N229 PolarHBondContact O-N 2.89Å; V225-L230 HydrophobicContact CB-CB 4.48Å; V225-L230 HydrophobicContact CG1-CB 4.18Å; V225-L230 WeakPolarHBondContact CG1-O 3.46Å; V225-L230 HydrophobicContact CG2-CB 4.45Å; V225-L230 PolarHBondContact O-N 2.9Å; V225-I233 HydrophobicContact CG2-CD1 3.78Å; V225-I233 HydrophobicContact CG2-CG1 4.01Å; V225-K251 HydrophobicContact CG1-CD 4.43Å; V225-K251 HydrophobicContact CG2-CB 4.41Å |
| 226 | H | 98.6 | Very high | 98.6 | Very high | 156 Ų | 156 | 38 Ų | 38 | 72% | 0.722 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.1 | -50.2 | 178.3 | -179.3 | 65.1 | 0 | 0 | 0 | 112.7 | N222 E223 F224 N228 N229 | N222-H226 VanDerWaalsContact O-CB 3.3Å; N222-H226 WeakPolarHBondContact O-CB 3.49Å; N222-H226 PolarHBondContact O-N 3.34Å; E223-H226 PolarHBondContact O-N 3.27Å; F224-H226 VanDerWaalsContact C-N 3.31Å; F224-H226 PolarHBondContact O-N 2.93Å; H226-N228 VanDerWaalsContact C-N 3.25Å; H226-N228 PolarHBondContact O-N 3.42Å; H226-N229 PolarHBondContact O-N 2.87Å |
| 227 | I | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 38.5 Ų | 38.5 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -39.8 | -178.6 | -71.9 | 171.6 | 0 | 0 | 0 | 111.2 | T172 E223 F224 | T172-I227 HydrophobicContact CG2-CG2 3.99Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.36Å; E223-I227 WeakPolarHBondContact O-CB 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 2.71Å; E223-I227 PolarHBondContact O-N 3.43Å; F224-I227 PolarHBondContact O-N 3.29Å |
| 228 | N | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 7.1 | -174.7 | -65.4 | -77.7 | 0 | 0 | 0 | 113.7 | K171 T172 L173 F224 H226 L230 | K171-N228 PolarHBondContact O-ND2 3.31Å; T172-N228 WeakPolarHBondContact CA-OD1 3.34Å; L173-N228 HydrophobicContact CD1-CB 4.24Å; L173-N228 HydrophobicContact CG-CB 4.11Å; L173-N228 PolarHBondContact N-OD1 3.49Å; F224-N228 HydrophobicContact CE1-CB 4.49Å; F224-N228 WeakPolarHBondContact O-CB 3.1Å; F224-N228 PolarHBondContact O-N 3.12Å; F224-N228 VanDerWaalsContact O-N 3.11Å; F224-N228 PolarHBondContact O-ND2 3.11Å; H226-N228 VanDerWaalsContact C-N 3.25Å; H226-N228 PolarHBondContact O-N 3.42Å; N228-L230 HydrophobicContact CB-CD1 3.94Å; N228-L230 HydrophobicContact CB-CG 3.82Å; N228-L230 PolarHBondContact O-N 2.85Å |
| 229 | N | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 42 Ų | 42 | 65% | 0.647 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 38.6 | -177.3 | -169.5 | 44.1 | 0 | 0 | 0 | 113.3 | V225 H226 | V225-N229 PolarHBondContact O-N 2.89Å; H226-N229 PolarHBondContact O-N 2.87Å |
| 230 | L | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | trans | -87.9 | 162 | 178.2 | -61.8 | 174.3 | 0 | 0 | 0 | 110.6 | L154 Q158 L160 L173 F224 V225 N228 | L154-L230 HydrophobicContact CD1-CD2 3.71Å; Q158-L230 WeakPolarHBondContact O-CA 3.45Å; L160-L230 HydrophobicContact CB-CD1 3.78Å; L160-L230 HydrophobicContact CB-CD2 4.46Å; L160-L230 HydrophobicContact CD2-CD1 4.34Å; L173-L230 HydrophobicContact CD1-CD2 4.28Å; F224-L230 HydrophobicContact CD1-CD1 4.08Å; F224-L230 HydrophobicContact CE1-CD1 3.79Å; V225-L230 HydrophobicContact CB-CB 4.48Å; V225-L230 HydrophobicContact CG1-CB 4.18Å; V225-L230 WeakPolarHBondContact CG1-O 3.46Å; V225-L230 HydrophobicContact CG2-CB 4.45Å; V225-L230 PolarHBondContact O-N 2.9Å; N228-L230 HydrophobicContact CB-CD1 3.94Å; N228-L230 HydrophobicContact CB-CG 3.82Å; N228-L230 PolarHBondContact O-N 2.85Å | ||
| 231 | K | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 42 Ų | 42 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -105.3 | -31.3 | 168.6 | -70.9 | -179.9 | 174.2 | 167.4 | 0 | 112.4 | Q158 N278 | Q158-K231 HydrophobicContact CB-CD 4.35Å; Q158-K231 HydrophobicContact CB-CG 4.36Å; Q158-K231 PolarHBondContact O-N 3.24Å; K231-N278 PolarHBondContact NZ-OD1 3.18Å |
| 232 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 143.7 | -171.4 | 178.6 | 67.4 | 0 | 0 | 0 | 110.5 | V159 L160 F246 E250 K251 V253 F274 | V159-L232 WeakPolarHBondContact CA-O 3.49Å; V159-L232 HydrophobicContact CG1-CB 4.02Å; V159-L232 HydrophobicContact CG1-CD2 4Å; V159-L232 HydrophobicContact CG1-CG 4.11Å; V159-L232 HydrophobicContact CG2-CB 4.21Å; L160-L232 PolarHBondContact N-O 3.35Å; L232-F246 HydrophobicContact CD1-CE1 4.48Å; L232-E250 WeakPolarHBondContact CD1-O 3.45Å; L232-K251 WeakPolarHBondContact CA-O 3.37Å; L232-V253 HydrophobicContact CD1-CB 4.22Å; L232-V253 HydrophobicContact CD1-CG1 3.97Å; L232-V253 HydrophobicContact CD2-CG1 3.95Å; L232-V253 HydrophobicContact CG-CG1 4.23Å; L232-F274 HydrophobicContact CD2-CE1 3.96Å; L232-F274 HydrophobicContact CD2-CZ 3.81Å |
| 233 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.1 | 161.6 | -60.1 | 164.5 | 0 | 0 | 0 | 107.4 | L160 V162 L166 T221 F224 V225 K251 L252 V253 | L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.49Å; L160-I233 CarbonylContact O-C 3.55Å; L160-I233 WeakPolarHBondContact O-CA 3.35Å; V162-I233 HydrophobicContact CG2-CG2 4.24Å; L166-I233 HydrophobicContact CD1-CD1 3.98Å; L166-I233 HydrophobicContact CD2-CD1 3.97Å; L166-I233 HydrophobicContact CG-CD1 4.28Å; T221-I233 HydrophobicContact CG2-CD1 4.21Å; F224-I233 HydrophobicContact CD1-CD1 4.03Å; V225-I233 HydrophobicContact CG2-CD1 3.78Å; V225-I233 HydrophobicContact CG2-CG1 4.01Å; I233-K251 PolarHBondContact N-O 3.16Å; I233-L252 HydrophobicContact CG2-CD1 4.44Å; I233-L252 CarbonylContact O-C 3.52Å; I233-L252 VanDerWaalsContact O-CA 3.3Å; I233-L252 WeakPolarHBondContact O-CA 3.09Å; I233-V253 PolarHBondContact O-N 3.29Å |
| 234 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.7 | 174.1 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | M79 V159 L160 C161 V162 V253 | M79-C234 HydrophobicContact SD-CB 4.38Å; V159-C234 HydrophobicContact CG1-CB 4.3Å; L160-C234 PolarHBondContact O-N 2.87Å; C161-C234 VanDerWaalsContact CA-O 3.3Å; C161-C234 WeakPolarHBondContact CA-O 3.19Å; V162-C234 PolarHBondContact N-O 3.17Å; C234-V253 WeakPolarHBondContact CA-O 3.3Å; C234-V253 HydrophobicContact CB-CG1 3.95Å |
| 235 | R | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 171 | -175.1 | 69.4 | 126.9 | -45.4 | 167.4 | 45.7 | 114.1 | M79 V162 H163 G164 D198 L252 V253 T254 V255 | M79-R235 WeakPolarHBondContact CE-O 3.41Å; V162-R235 HydrophobicContact CG2-CB 4.38Å; V162-R235 WeakPolarHBondContact O-CA 3.48Å; H163-R235 PolarHBondContact O-NE 3.19Å; H163-R235 PolarHBondContact O-NH2 3.2Å; G164-R235 WeakPolarHBondContact O-CB 3.32Å; G164-R235 VanDerWaalsContact O-CD 3.29Å; G164-R235 WeakPolarHBondContact O-CD 3.49Å; G164-R235 PolarHBondContact O-NE 3.27Å; G164-R235 PolarHBondContact O-NH2 2.68Å; D198-R235 IonicContact OD1-CZ 3.76Å; D198-R235 IonicContact OD1-NH1 2.69Å; D198-R235 PolarHBondContact OD1-NH1 3.47Å; D198-R235 IonicContact OD1-NH2 2.92Å; R235-L252 HydrophobicContact CG-CD1 4.41Å; R235-L252 HydrophobicContact CG-CD2 4.16Å; R235-L252 HydrophobicContact CG-CG 4.31Å; R235-V253 WeakPolarHBondContact CG-O 3.05Å; R235-V253 PolarHBondContact N-O 3.1Å; R235-T254 CarbonylContact O-C 3.59Å; R235-T254 WeakPolarHBondContact O-CA 3.45Å; R235-V255 PolarHBondContact O-N 3Å |
| 236 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -125.4 | -129.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | D53 M79 H163 Q238 T254 V255 | D53-A236 WeakPolarHBondContact OD1-CB 3.17Å; M79-A236 HydrophobicContact CB-CB 3.96Å; M79-A236 HydrophobicContact CE-CB 3.96Å; H163-A236 CarbonylContact O-C 3.55Å; H163-A236 PolarHBondContact O-N 3.05Å; A236-Q238 PolarHBondContact O-N 2.95Å; A236-T254 WeakPolarHBondContact O-CG2 3.38Å; A236-V255 WeakPolarHBondContact CA-O 3.17Å | ||
| 237 | H | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 60.7 | -34.1 | 165.6 | -166.8 | 51.1 | 0 | 0 | 0 | 119.4 | D53 N113 H163 W196 D198 R210 | D53-H237 PolarHBondContact OD1-N 3.17Å; D53-H237 WeakPolarHBondContact OD2-CA 3.29Å; N113-H237 VanDerWaalsContact CG-CE1 3.44Å; N113-H237 PolarHBondContact OD1-CE1 2.97Å; N113-H237 PolarHBondContact OD1-ND1 2.87Å; H163-H237 AromaticContact NE2-CG 3.91Å; H163-H237 AromaticContact NE2-ND1 3.51Å; W196-H237 AromaticContact CE3-CE1 3.89Å; W196-H237 AromaticContact CE3-NE2 3.94Å; D198-H237 IonicContact OD1-CD2 3.78Å; D198-H237 PolarHBondContact OD1-CD2 3.35Å; D198-H237 VanDerWaalsContact OD1-CD2 3.3Å; R210-H237 WeakPolarHBondContact CD-NE2 3.5Å; R210-H237 PolarHBondContact NE-NE2 3.45Å; R210-H237 PolarHBondContact NH1-NE2 3.23Å |
| 238 | Q | 97.4 | Very high | 98 | Very high | 42 Ų | 42 | 41 Ų | 41 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -100.8 | 118.3 | 179.7 | -88.2 | 177.4 | -38.8 | 0 | 0 | 109.2 | D198 P199 A236 V240 T254 | D198-Q238 WeakPolarHBondContact OD1-CG 3.41Å; D198-Q238 PolarHBondContact OD1-OE1 2.95Å; D198-Q238 PolarHBondContact OD2-NE2 3.45Å; P199-Q238 VanDerWaalsContact CD-OE1 3.25Å; A236-Q238 PolarHBondContact O-N 2.95Å; Q238-V240 PolarHBondContact O-N 3.01Å; Q238-T254 HydrophobicContact CB-CG2 4.3Å; Q238-T254 WeakPolarHBondContact O-CG2 3.24Å |
| 239 | L | 97.2 | Very high | 97.9 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | trans | -54.7 | 122.6 | 170.6 | 178.7 | 67.2 | 0 | 0 | 0 | 110 | W256 Y261 C265 N267 | L239-W256 HydrophobicContact CB-CE3 4.48Å; L239-W256 HydrophobicContact CB-CH2 4.38Å; L239-W256 HydrophobicContact CB-CZ2 4.45Å; L239-W256 HydrophobicContact CB-CZ3 4.38Å; L239-W256 HydrophobicContact CD1-CD2 3.95Å; L239-W256 VanDerWaalsContact CD1-CE2 3.45Å; L239-W256 HydrophobicContact CD1-CG 4.25Å; L239-W256 HydrophobicContact CD1-CZ2 3.81Å; L239-Y261 HydrophobicContact CD2-CD1 4.47Å; L239-C265 HydrophobicContact CD2-CB 4.04Å; L239-N267 HydrophobicContact CD1-CB 3.95Å; L239-N267 VanDerWaalsContact CD1-CG 3.48Å | ||
| 240 | V | 95.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | trans | -119.7 | 124.9 | 171.6 | -73.7 | 0 | 0 | 0 | 0 | 108.3 | Q238 E242 G243 K245 T254 W256 | Q238-V240 PolarHBondContact O-N 3.01Å; V240-E242 PolarHBondContact O-N 3.4Å; V240-G243 PolarHBondContact O-N 2.97Å; V240-K245 HydrophobicContact CB-CB 4.35Å; V240-K245 HydrophobicContact CG1-CB 3.72Å; V240-K245 HydrophobicContact CG1-CD 4.32Å; V240-T254 HydrophobicContact CG1-CG2 4.01Å; V240-T254 HydrophobicContact CG2-CG2 4.28Å; V240-W256 HydrophobicContact CG2-CB 3.59Å | ||
| 241 | H | 96.8 | Very high | 97.8 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.8 | -170.4 | -84.5 | -72.2 | 0 | 0 | 0 | 112.7 | G243 N267 I268 | H241-G243 VanDerWaalsContact C-N 3.29Å; H241-N267 WeakPolarHBondContact O-CA 3.48Å; H241-I268 WeakPolarHBondContact O-CG1 3.47Å; H241-I268 PolarHBondContact O-N 2.88Å |
| 242 | E | 97.3 | Very high | 97.9 | Very high | 118 Ų | 118 | 45 Ų | 45 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.5 | 179.1 | -57.2 | 77.6 | -171.7 | 0 | 0 | 113 | V240 Y244 I268 | V240-E242 PolarHBondContact O-N 3.4Å; E242-Y244 PolarHBondContact O-N 3.47Å; E242-I268 WeakPolarHBondContact O-CD1 3.41Å; E242-I268 WeakPolarHBondContact O-CG1 3.48Å |
| 243 | G | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 80.6 | -20.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V240 H241 W256 I268 S270 | V240-G243 PolarHBondContact O-N 2.97Å; H241-G243 VanDerWaalsContact C-N 3.29Å; G243-W256 PolarHBondContact O-N 3.43Å; G243-I268 WeakPolarHBondContact CA-O 3.26Å; G243-S270 VanDerWaalsContact C-OG 3.26Å; G243-S270 PolarHBondContact O-OG 2.54Å |
| 244 | Y | 98.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 45 Ų | 45 | 29% | 0.286 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 159 | 167.4 | 70.8 | -78.6 | 0 | 0 | 0 | 111.5 | E242 F246 T254 M272 P282 L284 | E242-Y244 PolarHBondContact O-N 3.47Å; Y244-F246 HydrophobicContact CD2-CD2 4.03Å; Y244-F246 AromaticContact CD2-CE2 3.82Å; Y244-F246 HydrophobicContact CD2-CE2 3.82Å; Y244-F246 AromaticContact CE2-CD2 3.9Å; Y244-F246 HydrophobicContact CE2-CD2 3.9Å; Y244-F246 AromaticContact CE2-CE2 3.66Å; Y244-F246 HydrophobicContact CE2-CE2 3.66Å; Y244-T254 CarbonylContact C-O 3.54Å; Y244-T254 WeakPolarHBondContact CA-O 3.13Å; Y244-T254 WeakPolarHBondContact CB-O 3.32Å; Y244-M272 HydrophobicContact CD2-CE 4.47Å; Y244-P282 HydrophobicContact CD1-CB 3.77Å; Y244-P282 HydrophobicContact CD1-CG 4.35Å; Y244-P282 HydrophobicContact CD2-CB 4.5Å; Y244-P282 HydrophobicContact CE1-CB 3.63Å; Y244-P282 HydrophobicContact CE1-CG 3.73Å; Y244-P282 HydrophobicContact CE2-CB 4.39Å; Y244-P282 HydrophobicContact CE2-CG 4.12Å; Y244-P282 HydrophobicContact CG-CB 4.22Å; Y244-L284 HydrophobicContact CD1-CD2 3.91Å; Y244-L284 HydrophobicContact CE1-CD2 3.92Å |
| 245 | K | 98.3 | Very high | 97.9 | Very high | 98 Ų | 98 | 45 Ų | 45 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 126.5 | 175.5 | -175.6 | -179.1 | 177.2 | -171.5 | 0 | 111 | V240 M247 V253 T254 | V240-K245 HydrophobicContact CB-CB 4.35Å; V240-K245 HydrophobicContact CG1-CB 3.72Å; V240-K245 HydrophobicContact CG1-CD 4.32Å; K245-M247 HydrophobicContact CD-CG 4.33Å; K245-M247 HydrophobicContact CD-SD 4.31Å; K245-M247 HydrophobicContact CG-CG 4.27Å; K245-V253 WeakPolarHBondContact O-CA 3.37Å; K245-T254 PolarHBondContact N-O 2.88Å; K245-T254 PolarHBondContact O-N 3.39Å |
| 246 | F | 98.2 | Very high | 97.9 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.2 | 168.9 | -72.4 | -79.8 | 0 | 0 | 0 | 110.7 | L232 Y244 E250 L252 V253 M272 | L232-F246 HydrophobicContact CD1-CE1 4.48Å; Y244-F246 HydrophobicContact CD2-CD2 4.03Å; Y244-F246 AromaticContact CD2-CE2 3.82Å; Y244-F246 HydrophobicContact CD2-CE2 3.82Å; Y244-F246 AromaticContact CE2-CD2 3.9Å; Y244-F246 HydrophobicContact CE2-CD2 3.9Å; Y244-F246 AromaticContact CE2-CE2 3.66Å; Y244-F246 HydrophobicContact CE2-CE2 3.66Å; F246-E250 HydrophobicContact CB-CB 4.46Å; F246-E250 HydrophobicContact CB-CG 4.11Å; F246-E250 HydrophobicContact CD1-CB 3.97Å; F246-E250 HydrophobicContact CD1-CG 4.27Å; F246-E250 HydrophobicContact CG-CB 4.4Å; F246-E250 HydrophobicContact CG-CG 4.21Å; F246-L252 CarbonylContact C-O 3.56Å; F246-L252 WeakPolarHBondContact CA-O 3.12Å; F246-V253 HydrophobicContact CD1-CB 3.65Å; F246-V253 HydrophobicContact CD1-CG2 3.81Å; F246-V253 HydrophobicContact CD2-CG2 4.4Å; F246-V253 HydrophobicContact CE1-CB 3.56Å; F246-V253 HydrophobicContact CE1-CG1 4.31Å; F246-V253 HydrophobicContact CE1-CG2 3.64Å; F246-V253 HydrophobicContact CE2-CG2 4.24Å; F246-V253 HydrophobicContact CG-CB 4.44Å; F246-V253 HydrophobicContact CG-CG2 4.19Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.85Å; F246-M272 HydrophobicContact CE2-CE 4.42Å; F246-M272 HydrophobicContact CZ-CE 3.93Å |
| 247 | M | 98.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161.4 | 175.5 | -65.6 | -176.3 | 69.5 | 0 | 0 | 110.3 | P199 K245 E250 K251 L252 | P199-M247 HydrophobicContact CB-CE 4.2Å; P199-M247 HydrophobicContact CB-SD 3.92Å; P199-M247 HydrophobicContact CG-SD 3.95Å; K245-M247 HydrophobicContact CD-CG 4.33Å; K245-M247 HydrophobicContact CD-SD 4.31Å; K245-M247 HydrophobicContact CG-CG 4.27Å; M247-E250 PolarHBondContact O-N 2.78Å; M247-K251 PolarHBondContact O-N 2.72Å; M247-L252 HydrophobicContact CB-CD2 4.18Å; M247-L252 PolarHBondContact N-O 3.49Å; M247-L252 PolarHBondContact O-N 3.41Å |
| 248 | F | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 60 | 170.5 | -45.5 | -41.9 | 0 | 0 | 0 | 113.1 | P199 E200 F216 A218 T221 E250 K251 L252 | P199-F248 HydrophobicContact CB-CE2 3.61Å; P199-F248 HydrophobicContact CB-CZ 3.93Å; E200-F248 WeakPolarHBondContact O-CZ 3.23Å; F216-F248 HydrophobicContact CD2-CE2 4.47Å; F216-F248 HydrophobicContact CE2-CE2 4.37Å; A218-F248 HydrophobicContact CB-CB 4.18Å; A218-F248 HydrophobicContact CB-CD1 3.5Å; A218-F248 VanDerWaalsContact CB-CD1 3.5Å; A218-F248 HydrophobicContact CB-CE1 4.08Å; A218-F248 HydrophobicContact CB-CG 3.97Å; T221-F248 HydrophobicContact CG2-CB 4.31Å; T221-F248 HydrophobicContact CG2-CD2 3.93Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.42Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.12Å; F248-E250 VanDerWaalsContact C-N 3.29Å; F248-E250 PolarHBondContact O-N 3.42Å; F248-K251 WeakPolarHBondContact O-CB 3.33Å; F248-K251 PolarHBondContact O-N 2.89Å; F248-L252 HydrophobicContact CD2-CB 4.16Å |
| 249 | D | 96.1 | Very high | 97.9 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 73% | 0.733 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 40.8 | -177.9 | -52 | -43.9 | 0 | 0 | 0 | 113 | K251 | D249-K251 PolarHBondContact O-N 2.92Å; D249-K251 VanDerWaalsContact O-N 3.14Å |
| 250 | E | 97.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 51% | 0.509 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 21.1 | -177.4 | -53.2 | -170.5 | -175.1 | 0 | 0 | 115.4 | L232 F246 M247 F248 L252 R280 | L232-E250 WeakPolarHBondContact CD1-O 3.45Å; F246-E250 HydrophobicContact CB-CB 4.46Å; F246-E250 HydrophobicContact CB-CG 4.11Å; F246-E250 HydrophobicContact CD1-CB 3.97Å; F246-E250 HydrophobicContact CD1-CG 4.27Å; F246-E250 HydrophobicContact CG-CB 4.4Å; F246-E250 HydrophobicContact CG-CG 4.21Å; M247-E250 PolarHBondContact O-N 2.78Å; F248-E250 VanDerWaalsContact C-N 3.29Å; F248-E250 PolarHBondContact O-N 3.42Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-R280 IonicContact OE2-NH2 3.73Å; E250-R280 PolarHBondContact OE2-NH2 3.41Å |
| 251 | K | 98.1 | Very high | 98 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 30% | 0.3 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.4 | 173.5 | -68.4 | 172.3 | -176.1 | 173.9 | 0 | 113.1 | T221 N222 V225 L232 I233 M247 F248 D249 | T221-K251 HydrophobicContact CG2-CB 4.22Å; N222-K251 WeakPolarHBondContact OD1-CD 3.2Å; N222-K251 WeakPolarHBondContact OD1-CE 3.29Å; N222-K251 PolarHBondContact OD1-NZ 3.34Å; V225-K251 HydrophobicContact CG1-CD 4.43Å; V225-K251 HydrophobicContact CG2-CB 4.41Å; L232-K251 WeakPolarHBondContact CA-O 3.37Å; I233-K251 PolarHBondContact N-O 3.16Å; M247-K251 PolarHBondContact O-N 2.72Å; F248-K251 WeakPolarHBondContact O-CB 3.33Å; F248-K251 PolarHBondContact O-N 2.89Å; D249-K251 PolarHBondContact O-N 2.92Å; D249-K251 VanDerWaalsContact O-N 3.14Å |
| 252 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.2 | 170.9 | -176.5 | 142.8 | 0 | 0 | 0 | 110.3 | P199 F216 T221 I233 R235 F246 M247 F248 E250 | P199-L252 HydrophobicContact CB-CD1 4.22Å; P199-L252 HydrophobicContact CB-CD2 4.06Å; P199-L252 HydrophobicContact CG-CD1 4.46Å; P199-L252 HydrophobicContact CG-CD2 3.84Å; F216-L252 HydrophobicContact CE2-CD1 3.49Å; F216-L252 VanDerWaalsContact CE2-CD1 3.49Å; F216-L252 HydrophobicContact CZ-CD1 3.61Å; T221-L252 HydrophobicContact CG2-CB 4.16Å; I233-L252 HydrophobicContact CG2-CD1 4.44Å; I233-L252 CarbonylContact O-C 3.52Å; I233-L252 VanDerWaalsContact O-CA 3.3Å; I233-L252 WeakPolarHBondContact O-CA 3.09Å; R235-L252 HydrophobicContact CG-CD1 4.41Å; R235-L252 HydrophobicContact CG-CD2 4.16Å; R235-L252 HydrophobicContact CG-CG 4.31Å; F246-L252 CarbonylContact C-O 3.56Å; F246-L252 WeakPolarHBondContact CA-O 3.12Å; M247-L252 HydrophobicContact CB-CD2 4.18Å; M247-L252 PolarHBondContact N-O 3.49Å; M247-L252 PolarHBondContact O-N 3.41Å; F248-L252 HydrophobicContact CD2-CB 4.16Å; E250-L252 VanDerWaalsContact C-N 3.32Å |
| 253 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.2 | 169.8 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | L232 I233 C234 R235 K245 F246 V255 M272 | L232-V253 HydrophobicContact CD1-CB 4.22Å; L232-V253 HydrophobicContact CD1-CG1 3.97Å; L232-V253 HydrophobicContact CD2-CG1 3.95Å; L232-V253 HydrophobicContact CG-CG1 4.23Å; I233-V253 PolarHBondContact O-N 3.29Å; C234-V253 WeakPolarHBondContact CA-O 3.3Å; C234-V253 HydrophobicContact CB-CG1 3.95Å; R235-V253 WeakPolarHBondContact CG-O 3.05Å; R235-V253 PolarHBondContact N-O 3.1Å; K245-V253 WeakPolarHBondContact O-CA 3.37Å; F246-V253 HydrophobicContact CD1-CB 3.65Å; F246-V253 HydrophobicContact CD1-CG2 3.81Å; F246-V253 HydrophobicContact CD2-CG2 4.4Å; F246-V253 HydrophobicContact CE1-CB 3.56Å; F246-V253 HydrophobicContact CE1-CG1 4.31Å; F246-V253 HydrophobicContact CE1-CG2 3.64Å; F246-V253 HydrophobicContact CE2-CG2 4.24Å; F246-V253 HydrophobicContact CG-CB 4.44Å; F246-V253 HydrophobicContact CG-CG2 4.19Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.85Å; V253-V255 HydrophobicContact CG1-CG2 4.37Å; V253-V255 HydrophobicContact CG2-CG2 4.29Å; V253-M272 HydrophobicContact CG2-CE 3.93Å |
| 254 | T | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.2 | 165.7 | -57.2 | 0 | 0 | 0 | 0 | 108.6 | R235 A236 Q238 V240 Y244 K245 | R235-T254 CarbonylContact O-C 3.59Å; R235-T254 WeakPolarHBondContact O-CA 3.45Å; A236-T254 WeakPolarHBondContact O-CG2 3.38Å; Q238-T254 HydrophobicContact CB-CG2 4.3Å; Q238-T254 WeakPolarHBondContact O-CG2 3.24Å; V240-T254 HydrophobicContact CG1-CG2 4.01Å; V240-T254 HydrophobicContact CG2-CG2 4.28Å; Y244-T254 CarbonylContact C-O 3.54Å; Y244-T254 WeakPolarHBondContact CA-O 3.13Å; Y244-T254 WeakPolarHBondContact CB-O 3.32Å; K245-T254 PolarHBondContact N-O 2.88Å; K245-T254 PolarHBondContact O-N 3.39Å |
| 255 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.7 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | G52 M79 R235 A236 V253 M272 | G52-V255 WeakPolarHBondContact CA-O 3.39Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.34Å; R235-V255 PolarHBondContact O-N 3Å; A236-V255 WeakPolarHBondContact CA-O 3.17Å; V253-V255 HydrophobicContact CG1-CG2 4.37Å; V253-V255 HydrophobicContact CG2-CG2 4.29Å; V255-M272 HydrophobicContact CG2-CB 4.03Å |
| 256 | W | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | trans | -125.6 | 124 | -179 | -176.2 | -89.8 | 0 | 0 | 0 | 110.6 | D53 H55 L239 V240 G243 A258 Y261 N267 A269 S270 | D53-W256 HydrophobicContact CB-CD2 4.46Å; D53-W256 HydrophobicContact CB-CE3 4.04Å; D53-W256 HydrophobicContact CB-CH2 3.88Å; D53-W256 HydrophobicContact CB-CZ2 4.31Å; D53-W256 HydrophobicContact CB-CZ3 3.75Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.17Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.37Å; H55-W256 AromaticContact CD2-CH2 3.97Å; L239-W256 HydrophobicContact CB-CE3 4.48Å; L239-W256 HydrophobicContact CB-CH2 4.38Å; L239-W256 HydrophobicContact CB-CZ2 4.45Å; L239-W256 HydrophobicContact CB-CZ3 4.38Å; L239-W256 HydrophobicContact CD1-CD2 3.95Å; L239-W256 VanDerWaalsContact CD1-CE2 3.45Å; L239-W256 HydrophobicContact CD1-CG 4.25Å; L239-W256 HydrophobicContact CD1-CZ2 3.81Å; V240-W256 HydrophobicContact CG2-CB 3.59Å; G243-W256 PolarHBondContact O-N 3.43Å; W256-A258 HydrophobicContact CZ2-CB 4.14Å; W256-A258 PolarHBondContact NE1-O 3.22Å; W256-Y261 HydrophobicContact CH2-CD1 4.4Å; W256-Y261 HydrophobicContact CH2-CD2 4.44Å; W256-Y261 HydrophobicContact CH2-CE1 4.28Å; W256-Y261 HydrophobicContact CH2-CE2 4.34Å; W256-Y261 HydrophobicContact CH2-CG 4.45Å; W256-Y261 AromaticContact CZ2-CD1 3.91Å; W256-Y261 HydrophobicContact CZ2-CD1 3.91Å; W256-Y261 AromaticContact CZ2-CD2 3.69Å; W256-Y261 HydrophobicContact CZ2-CD2 3.69Å; W256-Y261 HydrophobicContact CZ2-CE1 4.21Å; W256-Y261 HydrophobicContact CZ2-CE2 4.02Å; W256-Y261 AromaticContact CZ2-CG 3.61Å; W256-Y261 HydrophobicContact CZ2-CG 3.61Å; W256-N267 VanDerWaalsContact CD1-ND2 3.3Å; W256-N267 PolarHBondContact NE1-ND2 2.79Å; W256-A269 CarbonylContact O-C 3.44Å; W256-A269 WeakPolarHBondContact O-CA 3.35Å; W256-S270 PolarHBondContact O-N 2.99Å | ||
| 257 | S | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | trans | -114.4 | 8.8 | -169.7 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | G52 D53 P259 S270 F285 | G52-S257 PolarHBondContact N-OG 3.14Å; D53-S257 CarbonylContact O-C 3.46Å; D53-S257 WeakPolarHBondContact O-CA 3.3Å; D53-S257 WeakPolarHBondContact O-CB 3.3Å; D53-S257 PolarHBondContact O-N 3.12Å; S257-P259 WeakPolarHBondContact O-CD 3.4Å; S257-S270 PolarHBondContact OG-O 2.99Å; S257-F285 WeakPolarHBondContact O-CZ 3.2Å | ||
| 258 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -109.4 | 94.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D53 W256 Y261 N267 | D53-A258 PolarHBondContact O-N 3.39Å; W256-A258 HydrophobicContact CZ2-CB 4.14Å; W256-A258 PolarHBondContact NE1-O 3.22Å; A258-Y261 HydrophobicContact CB-CD2 4.23Å; A258-N267 PolarHBondContact O-ND2 2.98Å | ||
| 259 | P | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 150.6 | -176.6 | 31.5 | -35.8 | 0 | 0 | 0 | 111.2 | Q57 D60 S257 Y261 A269 F285 A287 | Q57-P259 PolarHBondContact NE2-O 3.22Å; D60-P259 HydrophobicContact CB-CG 3.8Å; S257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-Y261 PolarHBondContact O-N 3.21Å; P259-A269 HydrophobicContact CB-CB 3.66Å; P259-A269 HydrophobicContact CG-CB 4Å; P259-F285 HydrophobicContact CG-CD2 4.23Å; P259-F285 HydrophobicContact CG-CE2 3.96Å; P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 HydrophobicContact CG-CB 4.06Å |
| 260 | N | 97.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.9 | 54.4 | -173.1 | -172.8 | 32.5 | 0 | 0 | 0 | 111.8 | C262 Y263 R264 C265 G266 N267 A287 | N260-C262 PolarHBondContact O-N 3.07Å; N260-Y263 PolarHBondContact ND2-O 3.48Å; N260-Y263 WeakPolarHBondContact O-CA 3.35Å; N260-Y263 PolarHBondContact O-N 3.38Å; N260-R264 PolarHBondContact OD1-N 2.91Å; N260-C265 PolarHBondContact OD1-N 3.03Å; N260-G266 WeakPolarHBondContact OD1-CA 3.26Å; N260-G266 PolarHBondContact OD1-N 2.66Å; N260-N267 PolarHBondContact N-O 2.8Å; N260-N267 PolarHBondContact N-OD1 2.87Å; N260-A287 HydrophobicContact CB-CB 3.65Å |
| 261 | Y | 97.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -51 | 139.4 | -170.4 | 176.9 | -126.3 | 0 | 0 | 0 | 112.5 | H55 R85 L239 W256 A258 P259 Y263 R264 C265 N267 | H55-Y261 HydrophobicContact CB-CD2 4.46Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.19Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.47Å; H55-Y261 AromaticContact CD2-CZ 3.62Å; H55-Y261 PolarHBondContact CD2-OH 2.83Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.87Å; H55-Y261 AromaticContact NE2-CZ 3.79Å; H55-Y261 PolarHBondContact NE2-OH 2.85Å; H55-Y261 VanDerWaalsContact NE2-OH 3.12Å; R85-Y261 HydrophobicContact CB-CE2 4.13Å; R85-Y261 HydrophobicContact CG-CE2 4.23Å; R85-Y261 WeakPolarHBondContact CG-OH 3.24Å; L239-Y261 HydrophobicContact CD2-CD1 4.47Å; W256-Y261 HydrophobicContact CH2-CD1 4.4Å; W256-Y261 HydrophobicContact CH2-CD2 4.44Å; W256-Y261 HydrophobicContact CH2-CE1 4.28Å; W256-Y261 HydrophobicContact CH2-CE2 4.34Å; W256-Y261 HydrophobicContact CH2-CG 4.45Å; W256-Y261 AromaticContact CZ2-CD1 3.91Å; W256-Y261 HydrophobicContact CZ2-CD1 3.91Å; W256-Y261 AromaticContact CZ2-CD2 3.69Å; W256-Y261 HydrophobicContact CZ2-CD2 3.69Å; W256-Y261 HydrophobicContact CZ2-CE1 4.21Å; W256-Y261 HydrophobicContact CZ2-CE2 4.02Å; W256-Y261 AromaticContact CZ2-CG 3.61Å; W256-Y261 HydrophobicContact CZ2-CG 3.61Å; A258-Y261 HydrophobicContact CB-CD2 4.23Å; P259-Y261 PolarHBondContact O-N 3.21Å; Y261-Y263 PolarHBondContact O-N 3.34Å; Y261-R264 PolarHBondContact O-N 2.72Å; Y261-R264 VanDerWaalsContact O-N 3.09Å; Y261-C265 WeakPolarHBondContact O-CB 3.47Å; Y261-C265 PolarHBondContact O-N 2.91Å; Y261-C265 PolarHBondContact O-SG 3.46Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.23Å; Y261-N267 PolarHBondContact N-OD1 2.89Å |
| 262 | C | 92.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 11% | 0.108 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | 53.4 | 25.4 | -173.8 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | N260 R264 | N260-C262 PolarHBondContact O-N 3.07Å; C262-R264 HydrophobicContact CB-CG 4.16Å; C262-R264 PolarHBondContact O-N 2.76Å; C262-R264 VanDerWaalsContact O-N 3.16Å |
| 263 | Y | 93.1 | Very high | 97.4 | Very high | 54 Ų | 54 | 22.1 Ų | 22.1 | 21% | 0.212 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | 60.4 | 19 | -177.5 | -40.6 | -69 | 0 | 0 | 0 | 114.3 | Q57 G86 Y87 N260 Y261 F304 | Q57-Y263 HydrophobicContact CG-CE1 4.37Å; G86-Y263 WeakPolarHBondContact CA-OH 3.38Å; Y87-Y263 HydrophobicContact CD1-CE2 4.49Å; Y87-Y263 HydrophobicContact CD2-CD2 4.47Å; Y87-Y263 HydrophobicContact CD2-CE1 4.49Å; Y87-Y263 AromaticContact CD2-CE2 3.55Å; Y87-Y263 HydrophobicContact CD2-CE2 3.55Å; Y87-Y263 AromaticContact CD2-CZ 3.55Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.49Å; Y87-Y263 HydrophobicContact CE1-CE2 4.24Å; Y87-Y263 AromaticContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CE1 4.46Å; Y87-Y263 AromaticContact CE2-CE2 3.23Å; Y87-Y263 HydrophobicContact CE2-CE2 3.23Å; Y87-Y263 AromaticContact CE2-CZ 3.65Å; Y87-Y263 HydrophobicContact CG-CE2 4.17Å; Y87-Y263 AromaticContact CZ-CD2 3.95Å; Y87-Y263 AromaticContact CZ-CE2 3.6Å; Y87-Y263 PolarHBondContact N-OH 3.46Å; Y87-Y263 VanDerWaalsContact N-OH 3.14Å; N260-Y263 PolarHBondContact ND2-O 3.48Å; N260-Y263 WeakPolarHBondContact O-CA 3.35Å; N260-Y263 PolarHBondContact O-N 3.38Å; Y261-Y263 PolarHBondContact O-N 3.34Å; Y263-F304 HydrophobicContact CD2-CE1 4.01Å; Y263-F304 HydrophobicContact CD2-CZ 4.5Å; Y263-F304 HydrophobicContact CE2-CE1 4.09Å; Y263-F304 HydrophobicContact CE2-CZ 4.17Å |
| 264 | R | 93.8 | Very high | 97.4 | Very high | 158 Ų | 158 | 22.1 Ų | 22.1 | 60% | 0.596 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -143.5 | -23.2 | -172.9 | 69.8 | -174 | -172.9 | -179.8 | 2.1 | 116.3 | N260 Y261 C262 G266 | N260-R264 PolarHBondContact OD1-N 2.91Å; Y261-R264 PolarHBondContact O-N 2.72Å; Y261-R264 VanDerWaalsContact O-N 3.09Å; C262-R264 HydrophobicContact CB-CG 4.16Å; C262-R264 PolarHBondContact O-N 2.76Å; C262-R264 VanDerWaalsContact O-N 3.16Å; R264-G266 VanDerWaalsContact C-N 3.31Å; R264-G266 PolarHBondContact O-N 2.98Å |
| 265 | C | 94.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 28 Ų | 28 | 27% | 0.27 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -74.3 | -18.3 | -171.2 | -70.5 | 0 | 0 | 0 | 0 | 114.2 | L239 N260 Y261 N267 | L239-C265 HydrophobicContact CD2-CB 4.04Å; N260-C265 PolarHBondContact OD1-N 3.03Å; Y261-C265 WeakPolarHBondContact O-CB 3.47Å; Y261-C265 PolarHBondContact O-N 2.91Å; Y261-C265 PolarHBondContact O-SG 3.46Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; C265-N267 WeakPolarHBondContact CB-OD1 3.49Å; C265-N267 PolarHBondContact O-N 2.83Å; C265-N267 VanDerWaalsContact O-N 3.08Å |
| 266 | G | 96.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 30.7 Ų | 30.7 | 58% | 0.577 | 16% | 0.158 | S | C | * | . | trans | 67.7 | 4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N260 R264 | N260-G266 WeakPolarHBondContact OD1-CA 3.26Å; N260-G266 PolarHBondContact OD1-N 2.66Å; R264-G266 VanDerWaalsContact C-N 3.31Å; R264-G266 PolarHBondContact O-N 2.98Å | ||
| 267 | N | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | trans | -66.7 | 157 | 175.5 | 66 | -73.4 | 0 | 0 | 0 | 112 | L239 H241 W256 A258 N260 Y261 C265 | L239-N267 HydrophobicContact CD1-CB 3.95Å; L239-N267 VanDerWaalsContact CD1-CG 3.48Å; H241-N267 WeakPolarHBondContact O-CA 3.48Å; W256-N267 VanDerWaalsContact CD1-ND2 3.3Å; W256-N267 PolarHBondContact NE1-ND2 2.79Å; A258-N267 PolarHBondContact O-ND2 2.98Å; N260-N267 PolarHBondContact N-O 2.8Å; N260-N267 PolarHBondContact N-OD1 2.87Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.23Å; Y261-N267 PolarHBondContact N-OD1 2.89Å; C265-N267 WeakPolarHBondContact CB-OD1 3.49Å; C265-N267 PolarHBondContact O-N 2.83Å; C265-N267 VanDerWaalsContact O-N 3.08Å | ||
| 268 | I | 97.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 17% | 0.169 | 19% | 0.19 | C | C | . | . | trans | -88.8 | 168.5 | 163.1 | 64.9 | 173.8 | 0 | 0 | 0 | 110 | H241 E242 G243 L284 R286 | H241-I268 WeakPolarHBondContact O-CG1 3.47Å; H241-I268 PolarHBondContact O-N 2.88Å; E242-I268 WeakPolarHBondContact O-CD1 3.41Å; E242-I268 WeakPolarHBondContact O-CG1 3.48Å; G243-I268 WeakPolarHBondContact CA-O 3.26Å; I268-L284 HydrophobicContact CD1-CB 4.48Å; I268-L284 HydrophobicContact CD1-CD1 3.88Å; I268-L284 HydrophobicContact CD1-CD2 4.04Å; I268-L284 HydrophobicContact CD1-CG 4.35Å; I268-R286 HydrophobicContact CG2-CG 4.26Å | ||
| 269 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 161.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | W256 P259 L284 F285 | W256-A269 CarbonylContact O-C 3.44Å; W256-A269 WeakPolarHBondContact O-CA 3.35Å; P259-A269 HydrophobicContact CB-CB 3.66Å; P259-A269 HydrophobicContact CG-CB 4Å; A269-L284 WeakPolarHBondContact O-CA 3.33Å; A269-F285 HydrophobicContact CB-CD1 4.15Å; A269-F285 HydrophobicContact CB-CD2 4.13Å; A269-F285 HydrophobicContact CB-CE1 3.67Å; A269-F285 HydrophobicContact CB-CE2 3.67Å; A269-F285 HydrophobicContact CB-CG 4.35Å; A269-F285 HydrophobicContact CB-CZ 3.42Å; A269-F285 VanDerWaalsContact CB-CZ 3.42Å; A269-F285 PolarHBondContact N-O 3.36Å; A269-F285 PolarHBondContact O-N 2.68Å |
| 270 | S | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.9 | 174.3 | 81.1 | 0 | 0 | 0 | 0 | 112.5 | G243 W256 S257 K283 | G243-S270 VanDerWaalsContact C-OG 3.26Å; G243-S270 PolarHBondContact O-OG 2.54Å; W256-S270 PolarHBondContact O-N 2.99Å; S257-S270 PolarHBondContact OG-O 2.99Å; S270-K283 CarbonylContact C-O 3.59Å; S270-K283 WeakPolarHBondContact CA-O 3.27Å |
| 271 | I | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.8 | 160.8 | 52.6 | -179.8 | 0 | 0 | 0 | 108 | T49 C51 L64 T67 P282 K283 F285 | T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.8Å; T49-I271 HydrophobicContact CG2-CG1 4.12Å; T49-I271 HydrophobicContact CG2-CG2 4.36Å; C51-I271 HydrophobicContact CB-CG2 4.36Å; C51-I271 VanDerWaalsContact SG-CG2 3.59Å; L64-I271 HydrophobicContact CD1-CG2 3.73Å; L64-I271 HydrophobicContact CD2-CG2 4.19Å; L64-I271 HydrophobicContact CG-CG2 3.61Å; T67-I271 HydrophobicContact CG2-CD1 4.12Å; I271-P282 CarbonylContact O-C 3.59Å; I271-P282 WeakPolarHBondContact O-CA 3.23Å; I271-K283 HydrophobicContact CD1-CB 4.25Å; I271-K283 HydrophobicContact CD1-CD 4.36Å; I271-K283 HydrophobicContact CG1-CB 3.82Å; I271-K283 PolarHBondContact N-O 3.18Å; I271-K283 PolarHBondContact O-N 3.23Å; I271-F285 HydrophobicContact CG2-CE1 4.18Å |
| 272 | M | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.5 | 178.4 | -172.9 | 65.7 | 66.3 | 0 | 0 | 110 | V50 Y244 F246 V253 V255 F274 R280 P282 | V50-M272 HydrophobicContact CB-CB 4.4Å; V50-M272 PolarHBondContact N-O 2.86Å; V50-M272 PolarHBondContact O-N 2.85Å; Y244-M272 HydrophobicContact CD2-CE 4.47Å; F246-M272 HydrophobicContact CE2-CE 4.42Å; F246-M272 HydrophobicContact CZ-CE 3.93Å; V253-M272 HydrophobicContact CG2-CE 3.93Å; V255-M272 HydrophobicContact CG2-CB 4.03Å; M272-F274 HydrophobicContact CB-CE2 4.02Å; M272-F274 HydrophobicContact CG-CD2 4.08Å; M272-F274 HydrophobicContact CG-CE2 3.36Å; M272-F274 HydrophobicContact CG-CZ 3.69Å; M272-R280 HydrophobicContact CG-CB 4.48Å; M272-R280 HydrophobicContact SD-CB 4.01Å; M272-R280 HydrophobicContact SD-CG 4.36Å; M272-P282 HydrophobicContact CE-CB 4.09Å; M272-P282 HydrophobicContact SD-CB 4.34Å |
| 273 | V | 98.7 | Very high | 96.7 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.3 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | T49 R280 E281 K283 | T49-V273 HydrophobicContact CG2-CG2 4.24Å; V273-R280 CarbonylContact O-C 3.6Å; V273-R280 VanDerWaalsContact O-CA 3.29Å; V273-R280 WeakPolarHBondContact O-CA 3.45Å; V273-E281 PolarHBondContact N-O 3.12Å; V273-E281 PolarHBondContact O-N 3.4Å; V273-K283 HydrophobicContact CG2-CD 3.82Å; V273-K283 HydrophobicContact CG2-CG 4.03Å |
| 274 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.5 | 171.9 | -67.4 | -94.6 | 0 | 0 | 0 | 109.3 | T46 P47 V48 V50 I155 V159 L232 M272 R280 | T46-F274 HydrophobicContact CG2-CB 3.91Å; P47-F274 CarbonylContact C-O 3.19Å; P47-F274 VanDerWaalsContact CA-O 3.25Å; P47-F274 WeakPolarHBondContact CA-O 3.29Å; V48-F274 HydrophobicContact CG1-CB 4.21Å; V48-F274 PolarHBondContact N-O 3.23Å; V48-F274 PolarHBondContact O-N 3.43Å; V50-F274 HydrophobicContact CB-CE2 4.26Å; V50-F274 HydrophobicContact CG2-CD2 3.81Å; V50-F274 HydrophobicContact CG2-CE2 3.64Å; I155-F274 HydrophobicContact CD1-CD2 4.13Å; I155-F274 HydrophobicContact CD1-CE2 4.27Å; I155-F274 HydrophobicContact CD1-CG 4.47Å; V159-F274 HydrophobicContact CG1-CE1 4.32Å; V159-F274 HydrophobicContact CG1-CZ 4.17Å; V159-F274 HydrophobicContact CG2-CE1 4.19Å; L232-F274 HydrophobicContact CD2-CE1 3.96Å; L232-F274 HydrophobicContact CD2-CZ 3.81Å; M272-F274 HydrophobicContact CB-CE2 4.02Å; M272-F274 HydrophobicContact CG-CD2 4.08Å; M272-F274 HydrophobicContact CG-CE2 3.36Å; M272-F274 HydrophobicContact CG-CZ 3.69Å; F274-R280 HydrophobicContact CD1-CB 3.87Å; F274-R280 HydrophobicContact CE1-CB 3.76Å; F274-R280 HydrophobicContact CZ-CB 4.33Å |
| 275 | K | 97.6 | Very high | 97.2 | Very high | 125 Ų | 125 | 42.5 Ų | 42.5 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -80.5 | -36.4 | 167.9 | -66.9 | 177.9 | -175 | 163.6 | 0 | 110.7 | T46 T279 E281 | T46-K275 WeakPolarHBondContact CB-O 3.44Å; K275-T279 HydrophobicContact CB-CG2 4.16Å; K275-T279 HydrophobicContact CD-CG2 4.07Å; K275-T279 PolarHBondContact N-O 2.79Å; K275-E281 IonicContact NZ-OE2 3.89Å |
| 276 | D | 96.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -154.6 | 177.5 | 170.4 | 64.1 | 69 | 0 | 0 | 0 | 108.2 | N278 T279 | D276-N278 PolarHBondContact O-N 3.27Å; D276-N278 VanDerWaalsContact O-N 3.17Å; D276-N278 WeakPolarHBondContact OD1-CA 3.24Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 3.21Å; D276-T279 PolarHBondContact O-N 2.96Å; D276-T279 PolarHBondContact OD1-N 2.79Å; D276-T279 PolarHBondContact OD1-OG1 2.67Å; D276-T279 VanDerWaalsContact OD2-CB 3.26Å; D276-T279 WeakPolarHBondContact OD2-CB 3.28Å; D276-T279 PolarHBondContact OD2-OG1 3.45Å |
| 277 | V | 92.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -60.2 | -21.5 | -179 | -66 | 0 | 0 | 0 | 0 | 115.7 | D156 Q158 | D156-V277 HydrophobicContact CB-CG1 3.41Å; D156-V277 VanDerWaalsContact CB-CG1 3.41Å; Q158-V277 HydrophobicContact CB-CB 4.39Å; Q158-V277 HydrophobicContact CB-CG1 4.02Å |
| 278 | N | 94 | Very high | 97.3 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -103.3 | -24.1 | 179.1 | -52.1 | -61.2 | 0 | 0 | 0 | 112 | K231 D276 | K231-N278 PolarHBondContact NZ-OD1 3.18Å; D276-N278 PolarHBondContact O-N 3.27Å; D276-N278 VanDerWaalsContact O-N 3.17Å; D276-N278 WeakPolarHBondContact OD1-CA 3.24Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 3.21Å |
| 279 | T | 96.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 39% | 0.393 | 25% | 0.25 | S | S | . | . | trans | -104.3 | 93.4 | -176.4 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | K275 D276 | K275-T279 HydrophobicContact CB-CG2 4.16Å; K275-T279 HydrophobicContact CD-CG2 4.07Å; K275-T279 PolarHBondContact N-O 2.79Å; D276-T279 PolarHBondContact O-N 2.96Å; D276-T279 PolarHBondContact OD1-N 2.79Å; D276-T279 PolarHBondContact OD1-OG1 2.67Å; D276-T279 VanDerWaalsContact OD2-CB 3.26Å; D276-T279 WeakPolarHBondContact OD2-CB 3.28Å; D276-T279 PolarHBondContact OD2-OG1 3.45Å | ||
| 280 | R | 94.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 55 Ų | 55 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.2 | 176.6 | 65.6 | -176.1 | 177.3 | -124.9 | 4.4 | 111.7 | E250 M272 V273 F274 | E250-R280 IonicContact OE2-NH2 3.73Å; E250-R280 PolarHBondContact OE2-NH2 3.41Å; M272-R280 HydrophobicContact CG-CB 4.48Å; M272-R280 HydrophobicContact SD-CB 4.01Å; M272-R280 HydrophobicContact SD-CG 4.36Å; V273-R280 CarbonylContact O-C 3.6Å; V273-R280 VanDerWaalsContact O-CA 3.29Å; V273-R280 WeakPolarHBondContact O-CA 3.45Å; F274-R280 HydrophobicContact CD1-CB 3.87Å; F274-R280 HydrophobicContact CE1-CB 3.76Å; F274-R280 HydrophobicContact CZ-CB 4.33Å |
| 281 | E | 96.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 60.3 Ų | 60.3 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 120.5 | -179.4 | -176 | -177.1 | 168.9 | 0 | 0 | 110.5 | V273 K275 | V273-E281 PolarHBondContact N-O 3.12Å; V273-E281 PolarHBondContact O-N 3.4Å; K275-E281 IonicContact NZ-OE2 3.89Å |
| 282 | P | 97.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 66 Ų | 66 | 25% | 0.253 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.9 | 171.1 | 30.2 | -31.3 | 0 | 0 | 0 | 109.9 | Y244 I271 M272 | Y244-P282 HydrophobicContact CD1-CB 3.77Å; Y244-P282 HydrophobicContact CD1-CG 4.35Å; Y244-P282 HydrophobicContact CD2-CB 4.5Å; Y244-P282 HydrophobicContact CE1-CB 3.63Å; Y244-P282 HydrophobicContact CE1-CG 3.73Å; Y244-P282 HydrophobicContact CE2-CB 4.39Å; Y244-P282 HydrophobicContact CE2-CG 4.12Å; Y244-P282 HydrophobicContact CG-CB 4.22Å; I271-P282 CarbonylContact O-C 3.59Å; I271-P282 WeakPolarHBondContact O-CA 3.23Å; M272-P282 HydrophobicContact CE-CB 4.09Å; M272-P282 HydrophobicContact SD-CB 4.34Å |
| 283 | K | 98.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 67.4 Ų | 67.4 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123 | 167.2 | -64.1 | -178 | 172.5 | 178.8 | 0 | 109.4 | T67 S270 I271 V273 | T67-K283 HydrophobicContact CG2-CB 3.78Å; T67-K283 HydrophobicContact CG2-CD 4.23Å; T67-K283 WeakPolarHBondContact O-CD 3.32Å; T67-K283 PolarHBondContact O-NZ 3.45Å; S270-K283 CarbonylContact C-O 3.59Å; S270-K283 WeakPolarHBondContact CA-O 3.27Å; I271-K283 HydrophobicContact CD1-CB 4.25Å; I271-K283 HydrophobicContact CD1-CD 4.36Å; I271-K283 HydrophobicContact CG1-CB 3.82Å; I271-K283 PolarHBondContact N-O 3.18Å; I271-K283 PolarHBondContact O-N 3.23Å; V273-K283 HydrophobicContact CG2-CD 3.82Å; V273-K283 HydrophobicContact CG2-CG 4.03Å |
| 284 | L | 98.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 70.8 Ų | 70.8 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.9 | -177.5 | -58.7 | 177.4 | 0 | 0 | 0 | 111.1 | Y244 I268 A269 | Y244-L284 HydrophobicContact CD1-CD2 3.91Å; Y244-L284 HydrophobicContact CE1-CD2 3.92Å; I268-L284 HydrophobicContact CD1-CB 4.48Å; I268-L284 HydrophobicContact CD1-CD1 3.88Å; I268-L284 HydrophobicContact CD1-CD2 4.04Å; I268-L284 HydrophobicContact CD1-CG 4.35Å; A269-L284 WeakPolarHBondContact O-CA 3.33Å |
| 285 | F | 98.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.3 | 172.2 | 63.6 | -79 | 0 | 0 | 0 | 111.2 | E63 L64 T67 S257 P259 A269 I271 | E63-F285 HydrophobicContact CB-CD2 4.38Å; E63-F285 HydrophobicContact CG-CB 4.37Å; E63-F285 HydrophobicContact CG-CD2 4.05Å; L64-F285 HydrophobicContact CB-CE1 4.39Å; L64-F285 HydrophobicContact CB-CE2 4.22Å; L64-F285 HydrophobicContact CB-CZ 3.87Å; L64-F285 HydrophobicContact CD1-CZ 4.17Å; L64-F285 HydrophobicContact CG-CE1 4.45Å; L64-F285 HydrophobicContact CG-CZ 4.23Å; T67-F285 HydrophobicContact CG2-CB 4.45Å; S257-F285 WeakPolarHBondContact O-CZ 3.2Å; P259-F285 HydrophobicContact CG-CD2 4.23Å; P259-F285 HydrophobicContact CG-CE2 3.96Å; A269-F285 HydrophobicContact CB-CD1 4.15Å; A269-F285 HydrophobicContact CB-CD2 4.13Å; A269-F285 HydrophobicContact CB-CE1 3.67Å; A269-F285 HydrophobicContact CB-CE2 3.67Å; A269-F285 HydrophobicContact CB-CG 4.35Å; A269-F285 HydrophobicContact CB-CZ 3.42Å; A269-F285 VanDerWaalsContact CB-CZ 3.42Å; A269-F285 PolarHBondContact N-O 3.36Å; A269-F285 PolarHBondContact O-N 2.68Å; I271-F285 HydrophobicContact CG2-CE1 4.18Å |
| 286 | R | 98.1 | Very high | 94 | Very high | 189 Ų | 189 | 71.3 Ų | 71.3 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | trans | -109.1 | 165.6 | -177.9 | -69 | -175.6 | 176.5 | -83.6 | -2.2 | 110.4 | I268 V288 | I268-R286 HydrophobicContact CG2-CG 4.26Å; R286-V288 PolarHBondContact O-N 2.99Å | ||
| 287 | A | 97.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 74.3 Ų | 74.3 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 133.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D60 P259 N260 | D60-A287 WeakPolarHBondContact OD1-CA 3.36Å; P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 HydrophobicContact CG-CB 4.06Å; N260-A287 HydrophobicContact CB-CB 3.65Å |
| 288 | V | 96.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 84.9 Ų | 84.9 | 7% | 0.067 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 135.9 | 169 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | Y59 D60 E63 R286 E292 R293 | Y59-V288 WeakPolarHBondContact O-CG2 3.39Å; D60-V288 PolarHBondContact OD1-N 3.01Å; E63-V288 HydrophobicContact CB-CG2 3.86Å; E63-V288 HydrophobicContact CG-CG2 4.42Å; R286-V288 PolarHBondContact O-N 2.99Å; V288-E292 HydrophobicContact CG1-CB 3.71Å; V288-R293 HydrophobicContact CG1-CG 4.22Å; V288-R293 PolarHBondContact O-NE 3.42Å; V288-R293 PolarHBondContact O-NH2 3.26Å |
| 289 | P | 94.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 84.7 Ų | 84.7 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 148.3 | 179.6 | -24.3 | 34.8 | 0 | 0 | 0 | 113 | S291 E292 | P289-S291 PolarHBondContact O-N 2.89Å; P289-S291 VanDerWaalsContact O-N 3.13Å; P289-E292 PolarHBondContact O-N 2.72Å |
| 290 | D | 90.8 | Very high | 87.3 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -57.8 | -28.7 | 178.2 | -74 | -9.9 | 0 | 0 | 0 | 113.1 | E292 R293 I295 | D290-E292 PolarHBondContact O-N 2.91Å; D290-R293 PolarHBondContact O-N 2.82Å; D290-R293 VanDerWaalsContact O-N 3.16Å; D290-I295 HydrophobicContact CB-CD1 4.35Å |
| 291 | S | 91.7 | Very high | 85.1 | Confident | 111 Ų | 111 | 87 Ų | 87 | 78% | 0.776 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -63.9 | -19.6 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | P289 | P289-S291 PolarHBondContact O-N 2.89Å; P289-S291 VanDerWaalsContact O-N 3.13Å |
| 292 | E | 90.3 | Very high | 82.6 | Confident | 120 Ų | 120 | 86.6 Ų | 86.6 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -105.6 | 4.9 | 179.9 | -65.5 | 178.1 | -123.7 | 0 | 0 | 112.1 | V288 P289 D290 | V288-E292 HydrophobicContact CG1-CB 3.71Å; P289-E292 PolarHBondContact O-N 2.72Å; D290-E292 PolarHBondContact O-N 2.91Å |
| 293 | R | 91 | Very high | 80.5 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 11% | 0.109 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -110.2 | 147.8 | 178.6 | -60 | 177.6 | -170.4 | -121.8 | -0.7 | 110.2 | Y59 D60 V288 D290 | Y59-R293 HydrophobicContact CD2-CB 4.11Å; Y59-R293 HydrophobicContact CD2-CG 3.96Å; Y59-R293 HydrophobicContact CE2-CB 4.21Å; Y59-R293 HydrophobicContact CG-CB 4.45Å; Y59-R293 HydrophobicContact CG-CG 3.99Å; D60-R293 IonicContact OD1-CZ 3.81Å; D60-R293 IonicContact OD1-NH1 3.57Å; D60-R293 IonicContact OD1-NH2 2.77Å; D60-R293 PolarHBondContact OD1-NH2 3.28Å; D60-R293 IonicContact OD2-CZ 2.76Å; D60-R293 IonicContact OD2-NH1 3.33Å; D60-R293 PolarHBondContact OD2-NH1 3.49Å; D60-R293 IonicContact OD2-NH2 2.67Å; D60-R293 PolarHBondContact OD2-NH2 2.94Å; V288-R293 HydrophobicContact CG1-CG 4.22Å; V288-R293 PolarHBondContact O-NE 3.42Å; V288-R293 PolarHBondContact O-NH2 3.26Å; D290-R293 PolarHBondContact O-N 2.82Å; D290-R293 VanDerWaalsContact O-N 3.16Å |
| 294 | V | 89.5 | Confident | 77.9 | Confident | 91 Ų | 91 | 89.2 Ų | 89.2 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | trans | -83.4 | 129.6 | 156.5 | -177.7 | 0 | 0 | 0 | 0 | 107 | Y59 Y88 | Y59-V294 WeakPolarHBondContact OH-CB 3.39Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.19Å; Y59-V294 PolarHBondContact OH-N 3.21Å; Y88-V294 WeakPolarHBondContact CE2-O 3.46Å; Y88-V294 VanDerWaalsContact OH-C 3.32Å; Y88-V294 WeakPolarHBondContact OH-CB 3.25Å; Y88-V294 PolarHBondContact OH-O 3.1Å | ||
| 295 | I | 87.4 | Confident | 74.9 | Confident | 96 Ų | 96 | 94.6 Ų | 94.6 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | trans | -107 | 116 | 172.6 | -60.2 | 174.8 | 0 | 0 | 0 | 106.2 | Y87 D290 | Y87-I295 HydrophobicContact CE2-CG2 4.38Å; D290-I295 HydrophobicContact CB-CD1 4.35Å | ||
| 296 | P | 83.4 | Confident | 73.7 | Confident | 40 Ų | 40 | 98.8 Ų | 98.8 | 26% | 0.26 | 52% | 0.522 | S | S | . | . | trans | -60.5 | 150.5 | 178.4 | -25 | 36.6 | 0 | 0 | 0 | 111.3 | Y87 Y88 R298 | Y87-P296 HydrophobicContact CG-CG 4.21Å; Y88-P296 HydrophobicContact CE1-CG 4.36Å; Y88-P296 HydrophobicContact CE2-CG 4.36Å; Y88-P296 WeakPolarHBondContact OH-CD 3.44Å; Y88-P296 WeakPolarHBondContact OH-CG 3.41Å; P296-R298 PolarHBondContact O-N 3.22Å | ||
| 297 | P | 76.1 | Confident | 72.4 | Confident | 118 Ų | 118 | 94 Ų | 94 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | trans | -54 | 136.8 | 170.8 | -19.1 | 29.8 | 0 | 0 | 0 | 109.5 | T299 | P297-T299 VanDerWaalsContact C-N 3.28Å; P297-T299 PolarHBondContact O-N 3.43Å; P297-T299 PolarHBondContact O-OG1 3.18Å | ||
| 298 | R | 61.6 | Low | 71 | Confident | 242 Ų | 242 | 97.5 Ų | 97.5 | 91% | 0.913 | 53% | 0.526 | S | S | * | . | trans | -59.5 | 90.4 | 176.6 | -79.5 | -175.9 | 174.2 | -178.7 | -2 | 110.1 | P296 | P296-R298 PolarHBondContact O-N 3.22Š| ||
| 299 | T | 56.2 | Low | 69.5 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | trans | -78 | 113.1 | 149.3 | 11.9 | 0 | 0 | 0 | 0 | 103.8 | P297 T301 | P297-T299 VanDerWaalsContact C-N 3.28Å; P297-T299 PolarHBondContact O-N 3.43Å; P297-T299 PolarHBondContact O-OG1 3.18Å; T299-T301 PolarHBondContact O-N 3.08Å; T299-T301 PolarHBondContact O-OG1 3.21Å | ||
| 300 | T | 44.4 | Very low | 68 | Low | 138 Ų | 138 | 104.9 Ų | 104.9 | 85% | 0.847 | 56% | 0.56 | S | S | * | * | trans | -61.6 | 86.7 | 179.1 | 27.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 301 | T | 47.3 | Very low | 66.5 | Low | 42 Ų | 42 | 105.1 Ų | 105.1 | 26% | 0.258 | 56% | 0.562 | S | S | . | * | trans | -78.2 | 118.8 | 157.1 | 2.5 | 0 | 0 | 0 | 0 | 106 | D127 T299 Y303 | D127-T301 HydrophobicContact CB-CG2 4.15Å; D127-T301 WeakPolarHBondContact OD2-CG2 3.3Å; T299-T301 PolarHBondContact O-N 3.08Å; T299-T301 PolarHBondContact O-OG1 3.21Å; T301-Y303 PolarHBondContact O-N 3.35Å | ||
| 302 | P | 45.5 | Very low | 64.7 | Low | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -64.7 | -5.8 | -166.1 | 19.9 | -30.1 | 0 | 0 | 0 | 115.5 | F304 L305 | P302-F304 PolarHBondContact O-N 3.46Å; P302-L305 PolarHBondContact O-N 3.34Å |
| 303 | Y | 54 | Low | 62.7 | Low | 96 Ų | 96 | 103.5 Ų | 103.5 | 38% | 0.376 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -83.1 | -7.4 | -172.2 | -66.6 | -87.9 | 0 | 0 | 0 | 115.7 | V122 Y123 T301 L305 | V122-Y303 WeakPolarHBondContact CA-OH 3.29Å; V122-Y303 HydrophobicContact CB-CE1 4.4Å; V122-Y303 HydrophobicContact CG1-CD1 4.32Å; V122-Y303 HydrophobicContact CG1-CE1 3.3Å; V122-Y303 VanDerWaalsContact CG1-OH 3.23Å; V122-Y303 WeakPolarHBondContact CG1-OH 3.3Å; V122-Y303 WeakPolarHBondContact O-CD2 3.39Å; V122-Y303 WeakPolarHBondContact O-CE1 3.48Å; V122-Y303 WeakPolarHBondContact O-CE2 3.38Å; V122-Y303 PolarHBondContact O-OH 3.39Å; Y123-Y303 AromaticContact CD1-CD1 3.79Å; Y123-Y303 HydrophobicContact CD1-CD1 3.79Å; Y123-Y303 HydrophobicContact CD1-CE1 4.18Å; Y123-Y303 HydrophobicContact CE1-CD1 4.09Å; Y123-Y303 HydrophobicContact CE1-CE1 4.29Å; T301-Y303 PolarHBondContact O-N 3.35Å; Y303-L305 VanDerWaalsContact C-N 3.26Å |
| 304 | F | 43.3 | Very low | 60.3 | Low | 67 Ų | 67 | 109.8 Ų | 109.8 | 29% | 0.294 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -84.2 | 0.1 | 170 | -73.4 | -76.7 | 0 | 0 | 0 | 113.5 | R85 Y87 Y263 P302 | R85-F304 VanDerWaalsContact O-CE1 3.29Å; R85-F304 WeakPolarHBondContact O-CE1 3.37Å; R85-F304 WeakPolarHBondContact O-CZ 3.44Å; Y87-F304 HydrophobicContact CD1-CE2 4.14Å; Y87-F304 HydrophobicContact CD1-CZ 4.01Å; Y87-F304 HydrophobicContact CE1-CD2 4.42Å; Y87-F304 HydrophobicContact CE1-CE1 4.33Å; Y87-F304 AromaticContact CE1-CE2 3.48Å; Y87-F304 HydrophobicContact CE1-CE2 3.48Å; Y87-F304 VanDerWaalsContact CE1-CE2 3.48Å; Y87-F304 AromaticContact CE1-CZ 3.39Å; Y87-F304 HydrophobicContact CE1-CZ 3.39Å; Y87-F304 AromaticContact CZ-CZ 3.91Å; Y263-F304 HydrophobicContact CD2-CE1 4.01Å; Y263-F304 HydrophobicContact CD2-CZ 4.5Å; Y263-F304 HydrophobicContact CE2-CE1 4.09Å; Y263-F304 HydrophobicContact CE2-CZ 4.17Å; P302-F304 PolarHBondContact O-N 3.46Å |
| 305 | L | 35.3 | Very low | 57.7 | Low | 201 Ų | 201 | 111.5 Ų | 111.5 | 100% | 1.052 | 58% | 0.584 | S | S | * | * | trans | -86.1 | 0 | 172.1 | -67.5 | 168.5 | 0 | 0 | 0 | 110.5 | P302 Y303 | P302-L305 PolarHBondContact O-N 3.34Å; Y303-L305 VanDerWaalsContact C-N 3.26Å |
Retrieved 305 of 305 residues in 1814.1 ms
(Link to these results)