| 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 | 91.5 | Very high | 94.2 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | 0 | -56.5 | 0 | -164.3 | 174.3 | -74.4 | 0 | 0 | 112.4 | V59 F72 H74 I169 | M1-V59 HydrophobicContact CG-CG2 4.24Å; M1-V59 HydrophobicContact SD-CG2 4.07Å; M1-F72 HydrophobicContact SD-CD2 4.01Å; M1-F72 HydrophobicContact SD-CE2 3.93Å; M1-H74 HydrophobicContact CE-CB 3.55Å; M1-H74 HydrophobicContact SD-CB 4.27Å; M1-I169 WeakPolarHBondContact CA-O 3.49Å; M1-I169 HydrophobicContact CB-CG2 4.17Å; M1-I169 WeakPolarHBondContact CB-O 3.24Å; M1-I169 HydrophobicContact CE-CG2 3.96Å; M1-I169 PolarHBondContact N-O 3.17Å; M1-I169 HydrophobicContact SD-CG2 4.33Å | |||
| 2 | F | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 86.4 Ų | 86.4 | 0% | 0.004 | 41% | 0.412 | C | S | . | . | trans | -101.2 | 15.4 | -167.8 | -57.9 | -82.2 | 0 | 0 | 0 | 116.5 | K4 F5 V59 L61 F72 H170 D174 G175 L176 | F2-K4 VanDerWaalsContact C-N 3.31Å; F2-K4 PolarHBondContact O-N 3.2Å; F2-F5 HydrophobicContact CB-CB 3.89Å; F2-F5 HydrophobicContact CD1-CB 3.94Å; F2-F5 HydrophobicContact CD1-CD1 4.47Å; F2-F5 AromaticContact CD1-CD2 3.74Å; F2-F5 HydrophobicContact CD1-CD2 3.74Å; F2-F5 HydrophobicContact CD1-CE2 4.35Å; F2-F5 AromaticContact CD1-CG 3.8Å; F2-F5 HydrophobicContact CD1-CG 3.8Å; F2-F5 HydrophobicContact CE1-CD2 4.2Å; F2-F5 HydrophobicContact CE1-CE2 4.44Å; F2-F5 HydrophobicContact CG-CB 4.45Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.24Å; F2-F5 VanDerWaalsContact O-N 3.09Å; F2-V59 HydrophobicContact CE1-CG1 3.69Å; F2-V59 HydrophobicContact CZ-CG1 3.78Å; F2-L61 HydrophobicContact CE1-CD2 4.09Å; F2-L61 HydrophobicContact CZ-CD2 4.18Å; F2-F72 HydrophobicContact CE2-CD1 4.43Å; F2-F72 AromaticContact CE2-CD2 3.63Å; F2-F72 HydrophobicContact CE2-CD2 3.63Å; F2-F72 HydrophobicContact CE2-CE1 4.44Å; F2-F72 AromaticContact CE2-CE2 3.65Å; F2-F72 HydrophobicContact CE2-CE2 3.65Å; F2-F72 HydrophobicContact CE2-CG 4.04Å; F2-F72 HydrophobicContact CE2-CZ 4.08Å; F2-F72 HydrophobicContact CZ-CB 4.2Å; F2-F72 AromaticContact CZ-CD2 3.66Å; F2-F72 HydrophobicContact CZ-CD2 3.66Å; F2-F72 HydrophobicContact CZ-CE2 4.16Å; F2-F72 AromaticContact CZ-CG 3.92Å; F2-F72 HydrophobicContact CZ-CG 3.92Å; F2-H170 HydrophobicContact CD2-CB 4.06Å; F2-H170 HydrophobicContact CE2-CB 4.35Å; F2-D174 HydrophobicContact CB-CB 4.32Å; F2-G175 WeakPolarHBondContact O-CA 3.37Å; F2-G175 PolarHBondContact O-N 2.73Å; F2-L176 HydrophobicContact CB-CB 3.84Å; F2-L176 HydrophobicContact CD1-CB 3.71Å; F2-L176 HydrophobicContact CD1-CD2 4.42Å; F2-L176 HydrophobicContact CD2-CB 3.84Å; F2-L176 HydrophobicContact CD2-CD2 3.86Å; F2-L176 HydrophobicContact CE1-CB 4.16Å; F2-L176 HydrophobicContact CE1-CD2 4.1Å; F2-L176 HydrophobicContact CE2-CB 4.32Å; F2-L176 HydrophobicContact CE2-CD2 3.54Å; F2-L176 HydrophobicContact CG-CB 3.53Å; F2-L176 HydrophobicContact CG-CD2 4.3Å; F2-L176 HydrophobicContact CZ-CB 4.47Å; F2-L176 HydrophobicContact CZ-CD2 3.68Å | ||
| 3 | K | 95.3 | Very high | 94.3 | Very high | 135 Ų | 135 | 83.9 Ų | 83.9 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -38.3 | -174.8 | 177.1 | 160.4 | -176.1 | 165.6 | 0 | 114.3 | S108 Y171 | K3-S108 PolarHBondContact NZ-O 2.72Å; K3-Y171 HydrophobicContact CB-CE1 4.21Å; K3-Y171 WeakPolarHBondContact CB-OH 3.32Å; K3-Y171 VanDerWaalsContact CG-OH 3.29Å; K3-Y171 WeakPolarHBondContact CG-OH 3.5Å |
| 4 | K | 94.2 | Very high | 94.3 | Very high | 194 Ų | 194 | 82.1 Ų | 82.1 | 84% | 0.843 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 6.8 | 177.3 | -64.2 | -175.2 | 177.3 | -178.1 | 0 | 112.7 | F2 N6 | F2-K4 VanDerWaalsContact C-N 3.31Å; F2-K4 PolarHBondContact O-N 3.2Å; K4-N6 PolarHBondContact O-N 2.9Å |
| 5 | F | 96.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 82.3 Ų | 82.3 | 11% | 0.105 | 41% | 0.407 | C | S | . | . | trans | -66.9 | 134.5 | -177.9 | -177.9 | -84.3 | 0 | 0 | 0 | 109.6 | F2 I11 C55 L61 G175 L179 | F2-F5 HydrophobicContact CB-CB 3.89Å; F2-F5 HydrophobicContact CD1-CB 3.94Å; F2-F5 HydrophobicContact CD1-CD1 4.47Å; F2-F5 AromaticContact CD1-CD2 3.74Å; F2-F5 HydrophobicContact CD1-CD2 3.74Å; F2-F5 HydrophobicContact CD1-CE2 4.35Å; F2-F5 AromaticContact CD1-CG 3.8Å; F2-F5 HydrophobicContact CD1-CG 3.8Å; F2-F5 HydrophobicContact CE1-CD2 4.2Å; F2-F5 HydrophobicContact CE1-CE2 4.44Å; F2-F5 HydrophobicContact CG-CB 4.45Å; F2-F5 WeakPolarHBondContact O-CB 3.45Å; F2-F5 PolarHBondContact O-N 3.24Å; F2-F5 VanDerWaalsContact O-N 3.09Å; F5-I11 HydrophobicContact CZ-CD1 4.48Å; F5-I11 HydrophobicContact CZ-CG1 3.99Å; F5-C55 HydrophobicContact CE2-CB 3.96Å; F5-L61 HydrophobicContact CZ-CD1 4.13Å; F5-G175 VanDerWaalsContact O-CA 3.24Å; F5-G175 WeakPolarHBondContact O-CA 3.23Å; F5-L179 HydrophobicContact CE1-CD1 4.24Å; F5-L179 HydrophobicContact CE1-CD2 4.11Å; F5-L179 HydrophobicContact CZ-CD2 4.49Å | ||
| 6 | N | 93.7 | Very high | 94.4 | Very high | 53 Ų | 53 | 84.6 Ų | 84.6 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | trans | -145.3 | 148.7 | 172.2 | 70.7 | 81 | 0 | 0 | 0 | 110.2 | K4 K8 E9 S10 | K4-N6 PolarHBondContact O-N 2.9Å; N6-K8 VanDerWaalsContact C-N 3.29Å; N6-K8 PolarHBondContact O-N 2.93Å; N6-K8 PolarHBondContact OD1-N 2.81Å; N6-E9 PolarHBondContact ND2-OE2 2.85Å; N6-E9 PolarHBondContact O-N 3.48Å; N6-E9 VanDerWaalsContact OD1-CB 3.32Å; N6-E9 WeakPolarHBondContact OD1-CB 3.19Å; N6-E9 WeakPolarHBondContact OD1-CG 3.06Å; N6-E9 PolarHBondContact OD1-N 2.9Å; N6-S10 PolarHBondContact N-OG 3.37Å; N6-S10 WeakPolarHBondContact O-CB 3.08Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.24Å; N6-S10 VanDerWaalsContact O-OG 3.08Å | ||
| 7 | E | 91.4 | Very high | 94.5 | Very high | 78 Ų | 78 | 80.4 Ų | 80.4 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54.5 | -42.4 | -173.2 | -171.2 | -176.5 | 159.3 | 0 | 0 | 112.9 | I11 L179 R180 M182 | E7-I11 HydrophobicContact CB-CD1 4.49Å; E7-I11 HydrophobicContact CG-CD1 3.93Å; E7-I11 WeakPolarHBondContact O-CB 3.26Å; E7-L179 HydrophobicContact CB-CD1 3.71Å; E7-L179 HydrophobicContact CG-CD1 3.79Å; E7-R180 IonicContact OE2-NH2 3.3Å; E7-M182 HydrophobicContact CG-CE 4.34Å; E7-M182 HydrophobicContact CG-SD 4Å |
| 8 | K | 91.7 | Very high | 94.5 | Very high | 198 Ų | 198 | 84.6 Ų | 84.6 | 86% | 0.861 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -75.1 | -40.1 | -172.2 | -67.3 | -175.8 | 178.6 | -178.9 | 0 | 113.6 | N6 | N6-K8 VanDerWaalsContact C-N 3.29Å; N6-K8 PolarHBondContact O-N 2.93Å; N6-K8 PolarHBondContact OD1-N 2.81Å |
| 9 | E | 93.9 | Very high | 94.6 | Very high | 138 Ų | 138 | 82.6 Ų | 82.6 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -101.5 | -18.6 | -172.2 | -59.7 | 172 | 171.1 | 0 | 0 | 112.7 | N6 H56 | N6-E9 PolarHBondContact ND2-OE2 2.85Å; N6-E9 PolarHBondContact O-N 3.48Å; N6-E9 VanDerWaalsContact OD1-CB 3.32Å; N6-E9 WeakPolarHBondContact OD1-CB 3.19Å; N6-E9 WeakPolarHBondContact OD1-CG 3.06Å; N6-E9 PolarHBondContact OD1-N 2.9Å; E9-H56 PolarHBondContact O-CE1 3.43Å; E9-H56 PolarHBondContact O-ND1 2.89Å |
| 10 | S | 95.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 82.8 Ų | 82.8 | 12% | 0.119 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -101.3 | -20.1 | -173.7 | -52.5 | 0 | 0 | 0 | 0 | 113.6 | N6 C55 H56 | N6-S10 PolarHBondContact N-OG 3.37Å; N6-S10 WeakPolarHBondContact O-CB 3.08Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.24Å; N6-S10 VanDerWaalsContact O-OG 3.08Å; S10-C55 CarbonylContact O-C 3.51Å; S10-C55 WeakPolarHBondContact O-CA 3.37Å; S10-C55 WeakPolarHBondContact O-CB 3.24Å; S10-H56 PolarHBondContact O-N 3.25Å |
| 11 | I | 95.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 81.8 Ų | 81.8 | 17% | 0.169 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.8 | -178.2 | -61.3 | 178 | 0 | 0 | 0 | 109.9 | F5 E7 I53 L179 M182 | F5-I11 HydrophobicContact CZ-CD1 4.48Å; F5-I11 HydrophobicContact CZ-CG1 3.99Å; E7-I11 HydrophobicContact CB-CD1 4.49Å; E7-I11 HydrophobicContact CG-CD1 3.93Å; E7-I11 WeakPolarHBondContact O-CB 3.26Å; I11-I53 HydrophobicContact CB-CG2 4.5Å; I11-I53 HydrophobicContact CD1-CG2 4.2Å; I11-I53 HydrophobicContact CG1-CG2 4.22Å; I11-I53 HydrophobicContact CG2-CG2 3.58Å; I11-L179 HydrophobicContact CD1-CD1 4.22Å; I11-M182 HydrophobicContact CD1-CE 3.64Å; I11-M182 HydrophobicContact CD1-SD 4.04Å |
| 12 | S | 95.3 | Very high | 94.9 | Very high | 68 Ų | 68 | 78 Ų | 78 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -46.3 | 179.7 | -47.9 | 0 | 0 | 0 | 0 | 112.5 | K54 H56 | S12-K54 PolarHBondContact N-O 2.98Å; S12-H56 PolarHBondContact OG-CD2 2.82Å; S12-H56 PolarHBondContact OG-NE2 3.13Å |
| 13 | C | 93.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 85.7 Ų | 85.7 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 161.5 | 177.8 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | I53 K54 | C13-I53 CarbonylContact O-C 3.59Å; C13-I53 WeakPolarHBondContact O-CA 3.33Å; C13-K54 PolarHBondContact N-O 2.79Å; C13-K54 PolarHBondContact O-N 3.01Å |
| 14 | S | 94.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 81.3 Ų | 81.3 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.6 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 15 | Q | 95.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.9 | -179.3 | 62 | -179.5 | 31.9 | 0 | 0 | 110.7 | R51 L52 | Q15-R51 CarbonylContact O-C 3.41Å; Q15-R51 VanDerWaalsContact O-CA 3.3Å; Q15-R51 WeakPolarHBondContact O-CA 3.41Å; Q15-L52 HydrophobicContact CG-CB 4.06Å; Q15-L52 PolarHBondContact N-O 3.29Å; Q15-L52 PolarHBondContact O-N 3.01Å |
| 16 | Q | 96 | Very high | 95.1 | Very high | 120 Ų | 120 | 72.7 Ų | 72.7 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.1 | 171.5 | -173.1 | 174 | -10.1 | 0 | 0 | 110.3 | N49 | Q16-N49 PolarHBondContact NE2-OD1 3.12Å |
| 17 | L | 95.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 76.2 Ų | 76.2 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 135.5 | 176.5 | -79.3 | -175 | 0 | 0 | 0 | 111.2 | V21 I25 F50 L52 L62 | L17-V21 HydrophobicContact CD2-CB 4.33Å; L17-V21 HydrophobicContact CD2-CG1 3.78Å; L17-I25 HydrophobicContact CD1-CD1 3.64Å; L17-I25 HydrophobicContact CD2-CD1 4.3Å; L17-F50 HydrophobicContact CB-CB 4.43Å; L17-F50 HydrophobicContact CD1-CB 3.84Å; L17-F50 HydrophobicContact CG-CB 4.34Å; L17-F50 PolarHBondContact N-O 2.9Å; L17-L52 HydrophobicContact CD2-CB 3.81Å; L17-L52 HydrophobicContact CD2-CD2 4.39Å; L17-L52 HydrophobicContact CG-CB 4.31Å; L17-L62 HydrophobicContact CD1-CD1 3.46Å; L17-L62 VanDerWaalsContact CD1-CD1 3.46Å; L17-L62 HydrophobicContact CG-CD1 4.44Å |
| 18 | K | 95.1 | Very high | 95.6 | Very high | 155 Ų | 155 | 77.4 Ų | 77.4 | 67% | 0.674 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 144.1 | 166.8 | -64.1 | -178.3 | -179.5 | 179.9 | 0 | 109.1 | S20 V21 Q22 | K18-S20 PolarHBondContact O-N 3.18Å; K18-S20 VanDerWaalsContact O-N 3.15Å; K18-V21 HydrophobicContact CB-CG2 4.2Å; K18-V21 WeakPolarHBondContact O-CB 3.3Å; K18-V21 PolarHBondContact O-N 3.08Å; K18-Q22 PolarHBondContact O-N 2.81Å |
| 19 | G | 95.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.3 | -32.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K23 | G19-K23 VanDerWaalsContact O-CG 3.32Å; G19-K23 WeakPolarHBondContact O-CG 3.45Å; G19-K23 PolarHBondContact O-N 2.81Å; G19-K23 VanDerWaalsContact O-N 3.09Å |
| 20 | S | 95.4 | Very high | 96.1 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | K18 K23 D24 | K18-S20 PolarHBondContact O-N 3.18Å; K18-S20 VanDerWaalsContact O-N 3.15Å; S20-K23 PolarHBondContact O-N 2.98Å; S20-D24 PolarHBondContact O-N 2.87Å; S20-D24 VanDerWaalsContact O-N 3.1Å |
| 21 | V | 95.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 69 Ų | 69 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | L17 K18 K23 D24 I25 | L17-V21 HydrophobicContact CD2-CB 4.33Å; L17-V21 HydrophobicContact CD2-CG1 3.78Å; K18-V21 HydrophobicContact CB-CG2 4.2Å; K18-V21 WeakPolarHBondContact O-CB 3.3Å; K18-V21 PolarHBondContact O-N 3.08Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 3.04Å; V21-D24 WeakPolarHBondContact O-CB 3.34Å; V21-D24 PolarHBondContact O-N 2.85Å; V21-D24 VanDerWaalsContact O-N 3.13Å; V21-I25 HydrophobicContact CG1-CD1 4.01Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.17Å |
| 22 | Q | 96.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.7 | -175.4 | 176.5 | -12.3 | 0 | 0 | 112 | K18 D24 I25 R26 F44 P45 E48 F50 | K18-Q22 PolarHBondContact O-N 2.81Å; Q22-D24 VanDerWaalsContact C-N 3.32Å; Q22-D24 PolarHBondContact O-N 2.8Å; Q22-I25 PolarHBondContact O-N 3.28Å; Q22-R26 WeakPolarHBondContact O-CB 3.24Å; Q22-R26 PolarHBondContact O-N 3.17Å; Q22-F44 HydrophobicContact CG-CE1 3.54Å; Q22-F44 HydrophobicContact CG-CZ 3.73Å; Q22-P45 PolarHBondContact NE2-O 2.83Å; Q22-P45 VanDerWaalsContact NE2-O 3.13Å; Q22-E48 PolarHBondContact NE2-O 3.48Å; Q22-E48 VanDerWaalsContact NE2-O 3.15Å; Q22-E48 PolarHBondContact OE1-O 3.09Å; Q22-F50 HydrophobicContact CG-CD2 4.26Å; Q22-F50 VanDerWaalsContact NE2-CD2 3.31Å |
| 23 | K | 96.5 | Very high | 96.3 | Very high | 163 Ų | 163 | 67.2 Ų | 67.2 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | 173.7 | -72.5 | 174.9 | -175.4 | -177.6 | 0 | 112.1 | G19 S20 V21 R26 R27 | G19-K23 VanDerWaalsContact O-CG 3.32Å; G19-K23 WeakPolarHBondContact O-CG 3.45Å; G19-K23 PolarHBondContact O-N 2.81Å; G19-K23 VanDerWaalsContact O-N 3.09Å; S20-K23 PolarHBondContact O-N 2.98Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 3.04Å; K23-R26 PolarHBondContact O-N 3.43Å; K23-R27 PolarHBondContact O-N 2.84Å; K23-R27 VanDerWaalsContact O-N 3.08Å |
| 24 | D | 96.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.1 | -163.8 | 61.3 | 0 | 0 | 0 | 112.1 | S20 V21 Q22 R26 R27 R28 | S20-D24 PolarHBondContact O-N 2.87Å; S20-D24 VanDerWaalsContact O-N 3.1Å; V21-D24 WeakPolarHBondContact O-CB 3.34Å; V21-D24 PolarHBondContact O-N 2.85Å; V21-D24 VanDerWaalsContact O-N 3.13Å; Q22-D24 VanDerWaalsContact C-N 3.32Å; Q22-D24 PolarHBondContact O-N 2.8Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 2.86Å; D24-R27 PolarHBondContact O-N 2.83Å; D24-R27 IonicContact OD1-CZ 3.01Å; D24-R27 IonicContact OD1-NH1 3.42Å; D24-R27 PolarHBondContact OD1-NH1 3Å; D24-R27 IonicContact OD1-NH2 3.17Å; D24-R27 PolarHBondContact OD1-NH2 3.43Å; D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 2.87Å; D24-R28 IonicContact OD2-CZ 2.72Å; D24-R28 VanDerWaalsContact OD2-CZ 3.3Å; D24-R28 IonicContact OD2-NE 3.68Å; D24-R28 PolarHBondContact OD2-NE 3.13Å; D24-R28 IonicContact OD2-NH2 3.66Å; D24-R28 PolarHBondContact OD2-NH2 2.95Å |
| 25 | I | 97.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 176.9 | -67.9 | 172.5 | 0 | 0 | 0 | 110.1 | L17 V21 Q22 R27 R28 L29 F44 L62 Y79 | L17-I25 HydrophobicContact CD1-CD1 3.64Å; L17-I25 HydrophobicContact CD2-CD1 4.3Å; V21-I25 HydrophobicContact CG1-CD1 4.01Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.17Å; Q22-I25 PolarHBondContact O-N 3.28Å; I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 3.25Å; I25-R28 PolarHBondContact O-N 2.95Å; I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.25Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.32Å; I25-F44 HydrophobicContact CB-CE1 4.42Å; I25-F44 HydrophobicContact CB-CZ 4.42Å; I25-F44 HydrophobicContact CG2-CE1 4.15Å; I25-F44 HydrophobicContact CG2-CZ 3.99Å; I25-L62 HydrophobicContact CG2-CD2 3.92Å; I25-Y79 HydrophobicContact CB-CE2 4.49Å; I25-Y79 HydrophobicContact CD1-CE2 4.03Å; I25-Y79 HydrophobicContact CG1-CE2 3.8Å; I25-Y79 HydrophobicContact CG2-CD2 4.14Å; I25-Y79 HydrophobicContact CG2-CE2 4.02Å |
| 26 | R | 97.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 178.6 | -175.7 | 178 | 173.5 | 118.8 | -11.4 | 112.2 | Q22 K23 D24 L29 L30 I40 D41 F44 | Q22-R26 WeakPolarHBondContact O-CB 3.24Å; Q22-R26 PolarHBondContact O-N 3.17Å; K23-R26 PolarHBondContact O-N 3.43Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 2.86Å; R26-L29 PolarHBondContact O-N 2.86Å; R26-L30 HydrophobicContact CG-CD1 4.37Å; R26-L30 PolarHBondContact O-N 3.28Å; R26-L30 VanDerWaalsContact O-N 3.16Å; R26-I40 HydrophobicContact CG-CG1 4.13Å; R26-I40 VanDerWaalsContact NH2-CG2 3.3Å; R26-D41 IonicContact CZ-OD1 2.73Å; R26-D41 IonicContact NH1-OD1 2.86Å; R26-D41 PolarHBondContact NH1-OD1 2.88Å; R26-D41 VanDerWaalsContact NH2-CG 3.33Å; R26-D41 IonicContact NH2-OD1 2.62Å; R26-D41 PolarHBondContact NH2-OD1 2.89Å; R26-D41 IonicContact NH2-OD2 3.95Å; R26-D41 PolarHBondContact NH2-OD2 3.38Å; R26-F44 HydrophobicContact CB-CD1 3.99Å; R26-F44 HydrophobicContact CB-CE1 4.14Å; R26-F44 HydrophobicContact CG-CD1 4.39Å; R26-F44 PolarHBondContact NH1-O 3.15Å |
| 27 | R | 97.5 | Very high | 96.6 | Very high | 126 Ų | 126 | 65.8 Ų | 65.8 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 177.7 | -169.5 | -176.9 | 69.5 | -104.8 | -1.5 | 110.9 | K23 D24 I25 L29 L30 E31 | K23-R27 PolarHBondContact O-N 2.84Å; K23-R27 VanDerWaalsContact O-N 3.08Å; D24-R27 PolarHBondContact O-N 2.83Å; D24-R27 IonicContact OD1-CZ 3.01Å; D24-R27 IonicContact OD1-NH1 3.42Å; D24-R27 PolarHBondContact OD1-NH1 3Å; D24-R27 IonicContact OD1-NH2 3.17Å; D24-R27 PolarHBondContact OD1-NH2 3.43Å; I25-R27 VanDerWaalsContact C-N 3.31Å; I25-R27 PolarHBondContact O-N 3.25Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.6Å; R27-L30 PolarHBondContact O-N 3.26Å; R27-E31 WeakPolarHBondContact CG-OE1 3.42Å; R27-E31 IonicContact NE-OE1 3.86Å; R27-E31 PolarHBondContact NE-OE1 2.98Å; R27-E31 WeakPolarHBondContact O-CG 3.42Å; R27-E31 PolarHBondContact O-N 3.22Å |
| 28 | R | 97.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 39% | 0.389 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 177.2 | -66.7 | -175.5 | -162.2 | -157 | 1.3 | 112.9 | D24 I25 L30 E31 V32 | D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 2.87Å; D24-R28 IonicContact OD2-CZ 2.72Å; D24-R28 VanDerWaalsContact OD2-CZ 3.3Å; D24-R28 IonicContact OD2-NE 3.68Å; D24-R28 PolarHBondContact OD2-NE 3.13Å; D24-R28 IonicContact OD2-NH2 3.66Å; D24-R28 PolarHBondContact OD2-NH2 2.95Å; I25-R28 PolarHBondContact O-N 2.95Å; R28-L30 VanDerWaalsContact C-N 3.31Å; R28-L30 PolarHBondContact O-N 3.06Å; R28-E31 PolarHBondContact O-N 3.33Å; R28-V32 WeakPolarHBondContact O-CB 2.71Å; R28-V32 VanDerWaalsContact O-CG2 3.24Å; R28-V32 WeakPolarHBondContact O-CG2 3.43Å; R28-V32 PolarHBondContact O-N 3.29Å |
| 29 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 176.1 | -72.6 | 175.2 | 0 | 0 | 0 | 111.8 | I25 R26 R27 Y33 I40 F44 F71 | I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.25Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.32Å; R26-L29 PolarHBondContact O-N 2.86Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.6Å; L29-Y33 HydrophobicContact CD2-CD2 4.13Å; L29-Y33 HydrophobicContact CD2-CE2 4.08Å; L29-Y33 WeakPolarHBondContact O-CA 3.36Å; L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.11Å; L29-I40 HydrophobicContact CB-CD1 4.47Å; L29-I40 HydrophobicContact CD1-CD1 4.39Å; L29-F44 HydrophobicContact CD1-CG 4.47Å; L29-F71 HydrophobicContact CD1-CD2 4.34Å; L29-F71 HydrophobicContact CD1-CE2 3.87Å; L29-F71 HydrophobicContact CD1-CZ 3.99Å; L29-F71 HydrophobicContact CD2-CD1 3.83Å; L29-F71 HydrophobicContact CD2-CE1 3.57Å; L29-F71 HydrophobicContact CD2-CE2 4.32Å; L29-F71 HydrophobicContact CD2-CG 4.33Å; L29-F71 HydrophobicContact CD2-CZ 3.84Å |
| 30 | L | 97.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.288 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -34.6 | 176 | -70.2 | 164.9 | 0 | 0 | 0 | 112.5 | R26 R27 R28 P34 I36 E37 I40 | R26-L30 HydrophobicContact CG-CD1 4.37Å; R26-L30 PolarHBondContact O-N 3.28Å; R26-L30 VanDerWaalsContact O-N 3.16Å; R27-L30 PolarHBondContact O-N 3.26Å; R28-L30 VanDerWaalsContact C-N 3.31Å; R28-L30 PolarHBondContact O-N 3.06Å; L30-P34 WeakPolarHBondContact O-CA 3.26Å; L30-I36 HydrophobicContact CD2-CG2 3.9Å; L30-E37 HydrophobicContact CD2-CB 3.88Å; L30-E37 HydrophobicContact CD2-CG 4.25Å; L30-I40 HydrophobicContact CD2-CB 4.32Å; L30-I40 HydrophobicContact CD2-CG1 4.33Å; L30-I40 HydrophobicContact CD2-CG2 4.28Å |
| 31 | E | 97.4 | Very high | 97 | Very high | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 174.3 | -70.7 | 165.6 | -171.8 | 0 | 0 | 111.7 | R27 R28 | R27-E31 WeakPolarHBondContact CG-OE1 3.42Å; R27-E31 IonicContact NE-OE1 3.86Å; R27-E31 PolarHBondContact NE-OE1 2.98Å; R27-E31 WeakPolarHBondContact O-CG 3.42Å; R27-E31 PolarHBondContact O-N 3.22Å; R28-E31 PolarHBondContact O-N 3.33Å |
| 32 | V | 96.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -81.4 | -35.9 | -175.8 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | R28 P34 N78 | R28-V32 WeakPolarHBondContact O-CB 2.71Å; R28-V32 VanDerWaalsContact O-CG2 3.24Å; R28-V32 WeakPolarHBondContact O-CG2 3.43Å; R28-V32 PolarHBondContact O-N 3.29Å; V32-P34 WeakPolarHBondContact O-CD 3.29Å; V32-N78 HydrophobicContact CG1-CB 4.38Å; V32-N78 HydrophobicContact CG2-CB 4Å; V32-N78 VanDerWaalsContact CG2-CG 3.49Å |
| 33 | Y | 97.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | trans | -125.1 | 72 | -178.3 | -51 | -69.1 | 0 | 0 | 0 | 110.9 | L29 S35 I36 F71 Y79 P81 L92 L93 | L29-Y33 HydrophobicContact CD2-CD2 4.13Å; L29-Y33 HydrophobicContact CD2-CE2 4.08Å; L29-Y33 WeakPolarHBondContact O-CA 3.36Å; L29-Y33 WeakPolarHBondContact O-CB 3.42Å; L29-Y33 PolarHBondContact O-N 3.11Å; Y33-S35 PolarHBondContact O-N 3.17Å; Y33-I36 VanDerWaalsContact O-CB 3.29Å; Y33-I36 WeakPolarHBondContact O-CB 3.44Å; Y33-I36 WeakPolarHBondContact O-CG2 3.49Å; Y33-I36 PolarHBondContact O-N 2.94Å; Y33-F71 HydrophobicContact CE2-CE1 4.41Å; Y33-Y79 VanDerWaalsContact CE2-O 3.28Å; Y33-Y79 WeakPolarHBondContact CE2-O 3.37Å; Y33-Y79 PolarHBondContact OH-O 3.34Å; Y33-P81 WeakPolarHBondContact OH-CD 3.48Å; Y33-L92 VanDerWaalsContact CD1-O 3.24Å; Y33-L92 WeakPolarHBondContact CD1-O 3.43Å; Y33-L92 HydrophobicContact CG-CD2 4.31Å; Y33-L93 HydrophobicContact CE1-CD2 3.76Å | ||
| 34 | P | 96.5 | Very high | 97.1 | Very high | 89 Ų | 89 | 59 Ų | 59 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -53.9 | -33.9 | -177.3 | -27.9 | 35.5 | 0 | 0 | 0 | 114 | L30 V32 I36 E37 | L30-P34 WeakPolarHBondContact O-CA 3.26Å; V32-P34 WeakPolarHBondContact O-CD 3.29Å; P34-I36 PolarHBondContact O-N 2.87Å; P34-I36 VanDerWaalsContact O-N 3.13Å; P34-E37 WeakPolarHBondContact O-CB 3.21Å; P34-E37 PolarHBondContact O-N 3.29Å |
| 35 | S | 94.9 | Very high | 97.1 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -64.4 | -12.9 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | Y33 E37 P38 F91 | Y33-S35 PolarHBondContact O-N 3.17Å; S35-E37 VanDerWaalsContact C-N 3.29Å; S35-P38 WeakPolarHBondContact O-CD 3.32Å; S35-F91 WeakPolarHBondContact O-CE2 3.45Å; S35-F91 PolarHBondContact OG-O 3.32Å |
| 36 | I | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -75.2 | -17.6 | 176.3 | -154.9 | 170.7 | 0 | 0 | 0 | 112.6 | L30 Y33 P34 P38 F39 I40 I43 F71 L92 | L30-I36 HydrophobicContact CD2-CG2 3.9Å; Y33-I36 VanDerWaalsContact O-CB 3.29Å; Y33-I36 WeakPolarHBondContact O-CB 3.44Å; Y33-I36 WeakPolarHBondContact O-CG2 3.49Å; Y33-I36 PolarHBondContact O-N 2.94Å; P34-I36 PolarHBondContact O-N 2.87Å; P34-I36 VanDerWaalsContact O-N 3.13Å; I36-P38 VanDerWaalsContact C-CD 3.49Å; I36-F39 CarbonylContact O-C 3.57Å; I36-F39 WeakPolarHBondContact O-CA 3.25Å; I36-F39 PolarHBondContact O-N 2.86Å; I36-I40 HydrophobicContact CD1-CD1 3.99Å; I36-I40 HydrophobicContact CG1-CD1 4.31Å; I36-I40 HydrophobicContact CG2-CB 4.45Å; I36-I40 HydrophobicContact CG2-CD1 4.2Å; I36-I40 PolarHBondContact O-N 2.91Å; I36-I43 HydrophobicContact CD1-CD1 3.84Å; I36-I43 HydrophobicContact CG1-CD1 3.7Å; I36-F71 HydrophobicContact CD1-CZ 4.1Å; I36-L92 HydrophobicContact CB-CD2 3.83Å; I36-L92 HydrophobicContact CD1-CD2 3.82Å; I36-L92 HydrophobicContact CG1-CD2 3.81Å |
| 37 | E | 97.3 | Very high | 96.8 | Very high | 139 Ų | 139 | 73.9 Ų | 73.9 | 65% | 0.65 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -50.3 | -44.9 | -170.9 | -179.1 | -179.5 | -157.7 | 0 | 0 | 114 | L30 P34 S35 F39 I40 | L30-E37 HydrophobicContact CD2-CB 3.88Å; L30-E37 HydrophobicContact CD2-CG 4.25Å; P34-E37 WeakPolarHBondContact O-CB 3.21Å; P34-E37 PolarHBondContact O-N 3.29Å; S35-E37 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 2.88Å; E37-I40 VanDerWaalsContact O-CG2 3.29Å; E37-I40 WeakPolarHBondContact O-CG2 3.36Å |
| 38 | P | 97.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 69.6 Ų | 69.6 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -67.1 | -18.8 | 179 | -20.6 | 34.4 | 0 | 0 | 0 | 114.2 | S35 I36 | S35-P38 WeakPolarHBondContact O-CD 3.32Å; I36-P38 VanDerWaalsContact C-CD 3.49Å |
| 39 | F | 97.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -114 | -7.1 | -172.8 | -55.9 | -83.3 | 0 | 0 | 0 | 113.2 | I36 E37 D41 Q42 I43 Y89 F91 | I36-F39 CarbonylContact O-C 3.57Å; I36-F39 WeakPolarHBondContact O-CA 3.25Å; I36-F39 PolarHBondContact O-N 2.86Å; E37-F39 PolarHBondContact O-N 2.88Å; F39-D41 PolarHBondContact O-N 3.25Å; F39-D41 VanDerWaalsContact O-N 3.17Å; F39-Q42 WeakPolarHBondContact O-CA 3.42Å; F39-Q42 WeakPolarHBondContact O-CB 3.38Å; F39-Q42 PolarHBondContact O-N 2.94Å; F39-I43 HydrophobicContact CB-CD1 3.88Å; F39-I43 HydrophobicContact CB-CG1 4.45Å; F39-I43 WeakPolarHBondContact O-CG1 3.16Å; F39-I43 PolarHBondContact O-N 3Å; F39-Y89 HydrophobicContact CB-CD1 4.32Å; F39-Y89 HydrophobicContact CB-CE1 3.85Å; F39-Y89 HydrophobicContact CD1-CD1 4.3Å; F39-Y89 AromaticContact CD1-CE1 3.66Å; F39-Y89 HydrophobicContact CD1-CE1 3.66Å; F39-Y89 HydrophobicContact CE1-CE1 4.38Å; F39-Y89 HydrophobicContact CG-CD1 4.16Å; F39-Y89 AromaticContact CG-CE1 3.81Å; F39-Y89 HydrophobicContact CG-CE1 3.81Å; F39-F91 HydrophobicContact CD2-CE1 4.23Å; F39-F91 HydrophobicContact CD2-CE2 4.17Å; F39-F91 AromaticContact CD2-CZ 3.44Å; F39-F91 HydrophobicContact CD2-CZ 3.44Å; F39-F91 VanDerWaalsContact CD2-CZ 3.44Å; F39-F91 AromaticContact CE2-CE1 3.91Å; F39-F91 HydrophobicContact CE2-CE1 3.91Å; F39-F91 HydrophobicContact CE2-CE2 4.39Å; F39-F91 AromaticContact CE2-CZ 3.53Å; F39-F91 HydrophobicContact CE2-CZ 3.53Å; F39-F91 HydrophobicContact CG-CZ 4.2Å; F39-F91 HydrophobicContact CZ-CE1 4.39Å; F39-F91 HydrophobicContact CZ-CZ 4.37Å |
| 40 | I | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -29.3 | -172 | -169 | 60.1 | 0 | 0 | 0 | 113.2 | R26 L29 L30 I36 E37 Q42 F44 | R26-I40 HydrophobicContact CG-CG1 4.13Å; R26-I40 VanDerWaalsContact NH2-CG2 3.3Å; L29-I40 HydrophobicContact CB-CD1 4.47Å; L29-I40 HydrophobicContact CD1-CD1 4.39Å; L30-I40 HydrophobicContact CD2-CB 4.32Å; L30-I40 HydrophobicContact CD2-CG1 4.33Å; L30-I40 HydrophobicContact CD2-CG2 4.28Å; I36-I40 HydrophobicContact CD1-CD1 3.99Å; I36-I40 HydrophobicContact CG1-CD1 4.31Å; I36-I40 HydrophobicContact CG2-CB 4.45Å; I36-I40 HydrophobicContact CG2-CD1 4.2Å; I36-I40 PolarHBondContact O-N 2.91Å; E37-I40 VanDerWaalsContact O-CG2 3.29Å; E37-I40 WeakPolarHBondContact O-CG2 3.36Å; I40-Q42 VanDerWaalsContact C-N 3.31Å; I40-F44 HydrophobicContact CD1-CB 3.89Å; I40-F44 CarbonylContact O-C 3.59Å; I40-F44 VanDerWaalsContact O-C 3.24Å; I40-F44 WeakPolarHBondContact O-CA 3.36Å; I40-F44 PolarHBondContact O-N 2.97Å |
| 41 | D | 97.2 | Very high | 96.4 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -77.4 | -17.4 | 175.8 | -78 | -37.1 | 0 | 0 | 0 | 113.3 | R26 F39 P45 | R26-D41 IonicContact CZ-OD1 2.73Å; R26-D41 IonicContact NH1-OD1 2.86Å; R26-D41 PolarHBondContact NH1-OD1 2.88Å; R26-D41 VanDerWaalsContact NH2-CG 3.33Å; R26-D41 IonicContact NH2-OD1 2.62Å; R26-D41 PolarHBondContact NH2-OD1 2.89Å; R26-D41 IonicContact NH2-OD2 3.95Å; R26-D41 PolarHBondContact NH2-OD2 3.38Å; F39-D41 PolarHBondContact O-N 3.25Å; F39-D41 VanDerWaalsContact O-N 3.17Å; D41-P45 VanDerWaalsContact O-CG 3.27Å; D41-P45 WeakPolarHBondContact O-CG 3.19Å |
| 42 | Q | 96.8 | Very high | 96.4 | Very high | 130 Ų | 130 | 64 Ų | 64 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -85.5 | -41.6 | 170.8 | -58.7 | 174.7 | 10.5 | 0 | 0 | 110.8 | F39 I40 | F39-Q42 WeakPolarHBondContact O-CA 3.42Å; F39-Q42 WeakPolarHBondContact O-CB 3.38Å; F39-Q42 PolarHBondContact O-N 2.94Å; I40-Q42 VanDerWaalsContact C-N 3.31Å |
| 43 | I | 97 | Very high | 96.4 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -79 | -43.5 | -176.8 | -62.4 | 167.2 | 0 | 0 | 0 | 111.7 | I36 F39 L70 F71 L85 Y89 | I36-I43 HydrophobicContact CD1-CD1 3.84Å; I36-I43 HydrophobicContact CG1-CD1 3.7Å; F39-I43 HydrophobicContact CB-CD1 3.88Å; F39-I43 HydrophobicContact CB-CG1 4.45Å; F39-I43 WeakPolarHBondContact O-CG1 3.16Å; F39-I43 PolarHBondContact O-N 3Å; I43-L70 WeakPolarHBondContact O-CD1 3.43Å; I43-F71 HydrophobicContact CG2-CE2 3.93Å; I43-F71 HydrophobicContact CG2-CZ 4.19Å; I43-L85 HydrophobicContact CD1-CD1 4.47Å; I43-L85 HydrophobicContact CG1-CD1 4.3Å; I43-L85 HydrophobicContact CG2-CD1 3.87Å; I43-L85 HydrophobicContact CG2-CD2 4.1Å; I43-Y89 HydrophobicContact CD1-CD1 4.13Å; I43-Y89 HydrophobicContact CD1-CD2 3.63Å; I43-Y89 HydrophobicContact CD1-CE1 4.02Å; I43-Y89 HydrophobicContact CD1-CE2 3.53Å; I43-Y89 HydrophobicContact CD1-CG 3.92Å; I43-Y89 HydrophobicContact CG1-CD2 4.04Å; I43-Y89 HydrophobicContact CG1-CE1 4.34Å; I43-Y89 HydrophobicContact CG1-CE2 3.43Å; I43-Y89 VanDerWaalsContact CG1-CE2 3.43Å |
| 44 | F | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -135.2 | 65.4 | -174.5 | -157.1 | -110.2 | 0 | 0 | 0 | 112.2 | Q22 I25 R26 L29 I40 F50 L62 | Q22-F44 HydrophobicContact CG-CE1 3.54Å; Q22-F44 HydrophobicContact CG-CZ 3.73Å; I25-F44 HydrophobicContact CB-CE1 4.42Å; I25-F44 HydrophobicContact CB-CZ 4.42Å; I25-F44 HydrophobicContact CG2-CE1 4.15Å; I25-F44 HydrophobicContact CG2-CZ 3.99Å; R26-F44 HydrophobicContact CB-CD1 3.99Å; R26-F44 HydrophobicContact CB-CE1 4.14Å; R26-F44 HydrophobicContact CG-CD1 4.39Å; R26-F44 PolarHBondContact NH1-O 3.15Å; L29-F44 HydrophobicContact CD1-CG 4.47Å; I40-F44 HydrophobicContact CD1-CB 3.89Å; I40-F44 CarbonylContact O-C 3.59Å; I40-F44 VanDerWaalsContact O-C 3.24Å; I40-F44 WeakPolarHBondContact O-CA 3.36Å; I40-F44 PolarHBondContact O-N 2.97Å; F44-F50 HydrophobicContact CB-CZ 4.46Å; F44-F50 AromaticContact CD2-CD1 3.86Å; F44-F50 HydrophobicContact CD2-CD1 3.86Å; F44-F50 HydrophobicContact CD2-CD2 4.17Å; F44-F50 AromaticContact CD2-CE1 3.38Å; F44-F50 HydrophobicContact CD2-CE1 3.38Å; F44-F50 AromaticContact CD2-CE2 3.7Å; F44-F50 HydrophobicContact CD2-CE2 3.7Å; F44-F50 HydrophobicContact CD2-CG 4.24Å; F44-F50 AromaticContact CD2-CZ 3.3Å; F44-F50 HydrophobicContact CD2-CZ 3.3Å; F44-F50 HydrophobicContact CE2-CB 4.39Å; F44-F50 AromaticContact CE2-CD1 3.41Å; F44-F50 HydrophobicContact CE2-CD1 3.41Å; F44-F50 VanDerWaalsContact CE2-CD1 3.41Å; F44-F50 AromaticContact CE2-CD2 3.6Å; F44-F50 HydrophobicContact CE2-CD2 3.6Å; F44-F50 AromaticContact CE2-CE1 3.47Å; F44-F50 HydrophobicContact CE2-CE1 3.47Å; F44-F50 VanDerWaalsContact CE2-CE1 3.47Å; F44-F50 AromaticContact CE2-CE2 3.63Å; F44-F50 HydrophobicContact CE2-CE2 3.63Å; F44-F50 AromaticContact CE2-CG 3.5Å; F44-F50 HydrophobicContact CE2-CG 3.5Å; F44-F50 VanDerWaalsContact CE2-CG 3.5Å; F44-F50 AromaticContact CE2-CZ 3.58Å; F44-F50 HydrophobicContact CE2-CZ 3.58Å; F44-F50 HydrophobicContact CG-CE1 4.44Å; F44-F50 HydrophobicContact CG-CE2 4.17Å; F44-F50 AromaticContact CG-CZ 3.96Å; F44-F50 HydrophobicContact CG-CZ 3.96Å; F44-F50 HydrophobicContact CZ-CD1 4.39Å; F44-F50 AromaticContact CZ-CD2 3.88Å; F44-F50 HydrophobicContact CZ-CD2 3.88Å; F44-F50 HydrophobicContact CZ-CE2 4.09Å; F44-F50 HydrophobicContact CZ-CG 4.04Å; F44-F50 HydrophobicContact CZ-CZ 4.47Å; F44-L62 HydrophobicContact CD2-CD2 4.3Å; F44-L62 HydrophobicContact CE2-CD1 4.12Å; F44-L62 HydrophobicContact CE2-CD2 3.55Å; F44-L62 HydrophobicContact CE2-CG 4.03Å; F44-L62 HydrophobicContact CZ-CD1 4.48Å; F44-L62 HydrophobicContact CZ-CD2 4.05Å |
| 45 | P | 96.5 | Very high | 96.4 | Very high | 34 Ų | 34 | 61 Ų | 61 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | trans | -56 | 140.3 | -178.7 | -19.5 | 24 | 0 | 0 | 0 | 113.7 | Q22 D41 K47 E48 F50 | Q22-P45 PolarHBondContact NE2-O 2.83Å; Q22-P45 VanDerWaalsContact NE2-O 3.13Å; D41-P45 VanDerWaalsContact O-CG 3.27Å; D41-P45 WeakPolarHBondContact O-CG 3.19Å; P45-K47 VanDerWaalsContact C-N 3.27Å; P45-K47 PolarHBondContact O-N 3.09Å; P45-E48 HydrophobicContact CB-CB 4.09Å; P45-E48 WeakPolarHBondContact CD-OE2 3.44Å; P45-E48 HydrophobicContact CG-CB 4.34Å; P45-E48 WeakPolarHBondContact CG-OE2 3.44Å; P45-E48 PolarHBondContact O-N 2.9Å; P45-F50 WeakPolarHBondContact O-CE2 3.27Å | ||
| 46 | K | 94.8 | Very high | 96.4 | Very high | 147 Ų | 147 | 63.1 Ų | 63.1 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.6 | -178.3 | -63.6 | 177.4 | -174.3 | 169.6 | 0 | 114.6 | ||
| 47 | K | 92.5 | Very high | 96.3 | Very high | 212 Ų | 212 | 70.2 Ų | 70.2 | 92% | 0.922 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.3 | -175.1 | -65.6 | -173.8 | 179.7 | -179.9 | 0 | 113.4 | P45 | P45-K47 VanDerWaalsContact C-N 3.27Å; P45-K47 PolarHBondContact O-N 3.09Å |
| 48 | E | 95.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -90.5 | 144 | 178.7 | -179 | 169.3 | -168.8 | 0 | 0 | 111.7 | Q22 P45 F50 N64 S65 | Q22-E48 PolarHBondContact NE2-O 3.48Å; Q22-E48 VanDerWaalsContact NE2-O 3.15Å; Q22-E48 PolarHBondContact OE1-O 3.09Å; P45-E48 HydrophobicContact CB-CB 4.09Å; P45-E48 WeakPolarHBondContact CD-OE2 3.44Å; P45-E48 HydrophobicContact CG-CB 4.34Å; P45-E48 WeakPolarHBondContact CG-OE2 3.44Å; P45-E48 PolarHBondContact O-N 2.9Å; E48-F50 HydrophobicContact CB-CD2 4.38Å; E48-F50 HydrophobicContact CB-CE2 3.71Å; E48-F50 HydrophobicContact CB-CZ 4.05Å; E48-F50 HydrophobicContact CG-CD2 4.47Å; E48-F50 HydrophobicContact CG-CE2 4.01Å; E48-F50 HydrophobicContact CG-CZ 4.04Å; E48-F50 WeakPolarHBondContact O-CD2 3.48Å; E48-F50 PolarHBondContact O-N 3.01Å; E48-N64 WeakPolarHBondContact OE1-CB 3.33Å; E48-S65 VanDerWaalsContact OE1-CB 3.26Å; E48-S65 WeakPolarHBondContact OE1-CB 2.91Å; E48-S65 PolarHBondContact OE1-N 3.1Å; E48-S65 PolarHBondContact OE1-OG 2.72Å |
| 49 | N | 94.4 | Very high | 96.2 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | trans | -86 | 97.9 | 176.8 | -71.3 | -32.6 | 0 | 0 | 0 | 110.6 | Q16 | Q16-N49 PolarHBondContact NE2-OD1 3.12Š| ||
| 50 | F | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | trans | -84.3 | 153.4 | 174.2 | -68.3 | -84.9 | 0 | 0 | 0 | 112.2 | L17 Q22 F44 P45 E48 L62 A63 N64 L70 | L17-F50 HydrophobicContact CB-CB 4.43Å; L17-F50 HydrophobicContact CD1-CB 3.84Å; L17-F50 HydrophobicContact CG-CB 4.34Å; L17-F50 PolarHBondContact N-O 2.9Å; Q22-F50 HydrophobicContact CG-CD2 4.26Å; Q22-F50 VanDerWaalsContact NE2-CD2 3.31Å; F44-F50 HydrophobicContact CB-CZ 4.46Å; F44-F50 AromaticContact CD2-CD1 3.86Å; F44-F50 HydrophobicContact CD2-CD1 3.86Å; F44-F50 HydrophobicContact CD2-CD2 4.17Å; F44-F50 AromaticContact CD2-CE1 3.38Å; F44-F50 HydrophobicContact CD2-CE1 3.38Å; F44-F50 AromaticContact CD2-CE2 3.7Å; F44-F50 HydrophobicContact CD2-CE2 3.7Å; F44-F50 HydrophobicContact CD2-CG 4.24Å; F44-F50 AromaticContact CD2-CZ 3.3Å; F44-F50 HydrophobicContact CD2-CZ 3.3Å; F44-F50 HydrophobicContact CE2-CB 4.39Å; F44-F50 AromaticContact CE2-CD1 3.41Å; F44-F50 HydrophobicContact CE2-CD1 3.41Å; F44-F50 VanDerWaalsContact CE2-CD1 3.41Å; F44-F50 AromaticContact CE2-CD2 3.6Å; F44-F50 HydrophobicContact CE2-CD2 3.6Å; F44-F50 AromaticContact CE2-CE1 3.47Å; F44-F50 HydrophobicContact CE2-CE1 3.47Å; F44-F50 VanDerWaalsContact CE2-CE1 3.47Å; F44-F50 AromaticContact CE2-CE2 3.63Å; F44-F50 HydrophobicContact CE2-CE2 3.63Å; F44-F50 AromaticContact CE2-CG 3.5Å; F44-F50 HydrophobicContact CE2-CG 3.5Å; F44-F50 VanDerWaalsContact CE2-CG 3.5Å; F44-F50 AromaticContact CE2-CZ 3.58Å; F44-F50 HydrophobicContact CE2-CZ 3.58Å; F44-F50 HydrophobicContact CG-CE1 4.44Å; F44-F50 HydrophobicContact CG-CE2 4.17Å; F44-F50 AromaticContact CG-CZ 3.96Å; F44-F50 HydrophobicContact CG-CZ 3.96Å; F44-F50 HydrophobicContact CZ-CD1 4.39Å; F44-F50 AromaticContact CZ-CD2 3.88Å; F44-F50 HydrophobicContact CZ-CD2 3.88Å; F44-F50 HydrophobicContact CZ-CE2 4.09Å; F44-F50 HydrophobicContact CZ-CG 4.04Å; F44-F50 HydrophobicContact CZ-CZ 4.47Å; P45-F50 WeakPolarHBondContact O-CE2 3.27Å; E48-F50 HydrophobicContact CB-CD2 4.38Å; E48-F50 HydrophobicContact CB-CE2 3.71Å; E48-F50 HydrophobicContact CB-CZ 4.05Å; E48-F50 HydrophobicContact CG-CD2 4.47Å; E48-F50 HydrophobicContact CG-CE2 4.01Å; E48-F50 HydrophobicContact CG-CZ 4.04Å; E48-F50 WeakPolarHBondContact O-CD2 3.48Å; E48-F50 PolarHBondContact O-N 3.01Å; F50-L62 HydrophobicContact CB-CD1 4.05Å; F50-L62 HydrophobicContact CD1-CD1 4.4Å; F50-L62 HydrophobicContact CG-CD1 4.47Å; F50-A63 CarbonylContact C-O 3.54Å; F50-A63 WeakPolarHBondContact CA-O 3.21Å; F50-A63 WeakPolarHBondContact CD1-O 3.41Å; F50-N64 HydrophobicContact CD1-CB 4.25Å; F50-N64 HydrophobicContact CE1-CB 3.85Å; F50-L70 HydrophobicContact CE1-CD1 3.77Å | ||
| 51 | R | 96.7 | Very high | 96.2 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.7 | 170.8 | -71.8 | -176.5 | -73.3 | -166.3 | -21.1 | 111.4 | Q15 A63 M182 K183 | Q15-R51 CarbonylContact O-C 3.41Å; Q15-R51 VanDerWaalsContact O-CA 3.3Å; Q15-R51 WeakPolarHBondContact O-CA 3.41Å; R51-A63 HydrophobicContact CB-CB 4.45Å; R51-A63 PolarHBondContact N-O 3.13Å; R51-A63 PolarHBondContact O-N 2.96Å; R51-M182 PolarHBondContact NH2-O 2.62Å; R51-K183 PolarHBondContact NH1-O 2.88Å; R51-K183 PolarHBondContact NH1-OXT 3.07Å; R51-K183 VanDerWaalsContact NH2-CA 3.34Å; R51-K183 PolarHBondContact NH2-OXT 2.93Å |
| 52 | L | 96.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.3 | 167.8 | -168.3 | 72.5 | 0 | 0 | 0 | 108.2 | Q15 L17 E60 L61 Y79 | Q15-L52 HydrophobicContact CG-CB 4.06Å; Q15-L52 PolarHBondContact N-O 3.29Å; Q15-L52 PolarHBondContact O-N 3.01Å; L17-L52 HydrophobicContact CD2-CB 3.81Å; L17-L52 HydrophobicContact CD2-CD2 4.39Å; L17-L52 HydrophobicContact CG-CB 4.31Å; L52-E60 HydrophobicContact CD1-CB 3.94Å; L52-E60 HydrophobicContact CG-CB 4.44Å; L52-L61 WeakPolarHBondContact CA-O 3.29Å; L52-Y79 WeakPolarHBondContact CD1-OH 3.4Å |
| 53 | I | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.7 | 177.7 | -55.6 | 169.4 | 0 | 0 | 0 | 107.2 | I11 C13 E60 L61 A63 I69 M182 | I11-I53 HydrophobicContact CB-CG2 4.5Å; I11-I53 HydrophobicContact CD1-CG2 4.2Å; I11-I53 HydrophobicContact CG1-CG2 4.22Å; I11-I53 HydrophobicContact CG2-CG2 3.58Å; C13-I53 CarbonylContact O-C 3.59Å; C13-I53 WeakPolarHBondContact O-CA 3.33Å; I53-E60 WeakPolarHBondContact O-CA 3.11Å; I53-L61 HydrophobicContact CB-CB 4.15Å; I53-L61 PolarHBondContact N-O 3.17Å; I53-L61 PolarHBondContact O-N 3.15Å; I53-A63 HydrophobicContact CD1-CB 4.01Å; I53-I69 HydrophobicContact CD1-CD1 3.8Å; I53-M182 HydrophobicContact CD1-CB 3.68Å; I53-M182 HydrophobicContact CD1-CG 3.76Å |
| 54 | K | 96.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 34% | 0.335 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.4 | 176.7 | -63.2 | -173.7 | 178.7 | 172.7 | 0 | 109.3 | S12 C13 | S12-K54 PolarHBondContact N-O 2.98Å; C13-K54 PolarHBondContact N-O 2.79Å; C13-K54 PolarHBondContact O-N 3.01Å |
| 55 | C | 97.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 167.9 | -179.3 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | F5 S10 V59 | F5-C55 HydrophobicContact CE2-CB 3.96Å; S10-C55 CarbonylContact O-C 3.51Å; S10-C55 WeakPolarHBondContact O-CA 3.37Å; S10-C55 WeakPolarHBondContact O-CB 3.24Å; C55-V59 HydrophobicContact CB-CB 4.02Å; C55-V59 HydrophobicContact CB-CG1 4.44Å; C55-V59 WeakPolarHBondContact CB-O 3.44Å; C55-V59 PolarHBondContact N-O 3.4Å |
| 56 | H | 95.7 | Very high | 96 | Very high | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.477 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -58.9 | 166.1 | 167.2 | -63.8 | 166.7 | 0 | 0 | 0 | 111.5 | E9 S10 S12 H58 V59 | E9-H56 PolarHBondContact O-CE1 3.43Å; E9-H56 PolarHBondContact O-ND1 2.89Å; S10-H56 PolarHBondContact O-N 3.25Å; S12-H56 PolarHBondContact OG-CD2 2.82Å; S12-H56 PolarHBondContact OG-NE2 3.13Å; H56-H58 PolarHBondContact O-N 3.31Å; H56-H58 VanDerWaalsContact O-N 3.17Å; H56-V59 PolarHBondContact O-N 3.43Å |
| 57 | E | 94.4 | Very high | 96 | Very high | 150 Ų | 150 | 53.5 Ų | 53.5 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | 56.8 | 28.4 | -176.9 | -56.5 | -57.1 | 131.1 | 0 | 0 | 113.7 | V59 H74 | E57-V59 PolarHBondContact O-N 3.15Å; E57-H74 PolarHBondContact O-CD2 3.36Å; E57-H74 PolarHBondContact O-NE2 2.92Å |
| 58 | H | 95.4 | Very high | 96.2 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | 56.6 | 32.2 | 179.6 | -51.3 | -84.8 | 0 | 0 | 0 | 114.4 | H56 R75 | H56-H58 PolarHBondContact O-N 3.31Å; H56-H58 VanDerWaalsContact O-N 3.17Å; H58-R75 HydrophobicContact CB-CG 3.64Å; H58-R75 PolarHBondContact CD2-NH1 3.38Å; H58-R75 VanDerWaalsContact CD2-NH1 3.29Å; H58-R75 PolarHBondContact CD2-NH2 3.23Å; H58-R75 PolarHBondContact NE2-NH1 3.07Å; H58-R75 PolarHBondContact NE2-NH2 3.17Å; H58-R75 PolarHBondContact O-N 3.47Å |
| 59 | V | 97.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.4 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 110 | M1 F2 C55 H56 E57 L61 K73 | M1-V59 HydrophobicContact CG-CG2 4.24Å; M1-V59 HydrophobicContact SD-CG2 4.07Å; F2-V59 HydrophobicContact CE1-CG1 3.69Å; F2-V59 HydrophobicContact CZ-CG1 3.78Å; C55-V59 HydrophobicContact CB-CB 4.02Å; C55-V59 HydrophobicContact CB-CG1 4.44Å; C55-V59 WeakPolarHBondContact CB-O 3.44Å; C55-V59 PolarHBondContact N-O 3.4Å; H56-V59 PolarHBondContact O-N 3.43Å; E57-V59 PolarHBondContact O-N 3.15Å; V59-L61 HydrophobicContact CG1-CD2 3.94Å; V59-K73 WeakPolarHBondContact CA-O 3.35Å |
| 60 | E | 97.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.1 | 173 | -63 | -173 | 166.1 | 0 | 0 | 109.9 | L52 I53 F72 K73 | L52-E60 HydrophobicContact CD1-CB 3.94Å; L52-E60 HydrophobicContact CG-CB 4.44Å; I53-E60 WeakPolarHBondContact O-CA 3.11Å; E60-F72 CarbonylContact O-C 3.59Å; E60-F72 WeakPolarHBondContact O-CA 3.41Å; E60-K73 HydrophobicContact CB-CG 4.12Å; E60-K73 PolarHBondContact N-O 2.75Å; E60-K73 PolarHBondContact O-N 2.76Å; E60-K73 WeakPolarHBondContact OE2-CE 3.43Å; E60-K73 IonicContact OE2-NZ 2.91Å; E60-K73 PolarHBondContact OE2-NZ 2.91Å |
| 61 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.9 | 174.8 | -45.1 | 177.7 | 0 | 0 | 0 | 109.9 | F2 F5 L52 I53 V59 I69 F72 L176 L179 | F2-L61 HydrophobicContact CE1-CD2 4.09Å; F2-L61 HydrophobicContact CZ-CD2 4.18Å; F5-L61 HydrophobicContact CZ-CD1 4.13Å; L52-L61 WeakPolarHBondContact CA-O 3.29Å; I53-L61 HydrophobicContact CB-CB 4.15Å; I53-L61 PolarHBondContact N-O 3.17Å; I53-L61 PolarHBondContact O-N 3.15Å; V59-L61 HydrophobicContact CG1-CD2 3.94Å; L61-I69 HydrophobicContact CB-CD1 4.38Å; L61-I69 HydrophobicContact CB-CG2 3.85Å; L61-I69 HydrophobicContact CD2-CG2 4.5Å; L61-F72 HydrophobicContact CD2-CB 3.56Å; L61-L176 HydrophobicContact CD1-CD1 3.92Å; L61-L176 HydrophobicContact CD2-CD1 3.9Å; L61-L179 HydrophobicContact CD1-CD2 3.72Å |
| 62 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.6 | 178.4 | -177.3 | 59.1 | 0 | 0 | 0 | 109.5 | L17 I25 F44 F50 L70 F71 Y79 | L17-L62 HydrophobicContact CD1-CD1 3.46Å; L17-L62 VanDerWaalsContact CD1-CD1 3.46Å; L17-L62 HydrophobicContact CG-CD1 4.44Å; I25-L62 HydrophobicContact CG2-CD2 3.92Å; F44-L62 HydrophobicContact CD2-CD2 4.3Å; F44-L62 HydrophobicContact CE2-CD1 4.12Å; F44-L62 HydrophobicContact CE2-CD2 3.55Å; F44-L62 HydrophobicContact CE2-CG 4.03Å; F44-L62 HydrophobicContact CZ-CD1 4.48Å; F44-L62 HydrophobicContact CZ-CD2 4.05Å; F50-L62 HydrophobicContact CB-CD1 4.05Å; F50-L62 HydrophobicContact CD1-CD1 4.4Å; F50-L62 HydrophobicContact CG-CD1 4.47Å; L62-L70 PolarHBondContact O-N 3.44Å; L62-F71 HydrophobicContact CB-CB 4.22Å; L62-F71 HydrophobicContact CD2-CB 4.3Å; L62-F71 HydrophobicContact CD2-CD2 4.09Å; L62-F71 PolarHBondContact N-O 2.97Å; L62-Y79 HydrophobicContact CB-CE1 4.08Å; L62-Y79 HydrophobicContact CD2-CE1 4.34Å |
| 63 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F50 R51 I53 D68 I69 | F50-A63 CarbonylContact C-O 3.54Å; F50-A63 WeakPolarHBondContact CA-O 3.21Å; F50-A63 WeakPolarHBondContact CD1-O 3.41Å; R51-A63 HydrophobicContact CB-CB 4.45Å; R51-A63 PolarHBondContact N-O 3.13Å; R51-A63 PolarHBondContact O-N 2.96Å; I53-A63 HydrophobicContact CD1-CB 4.01Å; A63-D68 CarbonylContact C-O 3.48Å; A63-D68 VanDerWaalsContact CA-O 3.24Å; A63-D68 WeakPolarHBondContact CA-O 3.44Å; A63-I69 HydrophobicContact CB-CD1 3.67Å |
| 64 | N | 96.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | trans | -76.5 | -178.2 | 172 | 75.7 | 2.9 | 0 | 0 | 0 | 111.7 | E48 F50 Q66 G67 D68 L70 | E48-N64 WeakPolarHBondContact OE1-CB 3.33Å; F50-N64 HydrophobicContact CD1-CB 4.25Å; F50-N64 HydrophobicContact CE1-CB 3.85Å; N64-Q66 PolarHBondContact O-N 3.42Å; N64-Q66 WeakPolarHBondContact OD1-CA 3.17Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.27Å; N64-Q66 PolarHBondContact OD1-N 3.47Å; N64-G67 PolarHBondContact O-N 3.42Å; N64-G67 VanDerWaalsContact O-N 3.13Å; N64-G67 PolarHBondContact OD1-N 2.88Å; N64-D68 PolarHBondContact N-O 3.01Å; N64-D68 PolarHBondContact ND2-OD2 2.97Å; N64-D68 PolarHBondContact OD1-N 3.44Å; N64-L70 HydrophobicContact CB-CD1 4.07Å; N64-L70 HydrophobicContact CB-CG 4.35Å | ||
| 65 | S | 93.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 49% | 0.49 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.4 | 179.1 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | E48 G67 | E48-S65 VanDerWaalsContact OE1-CB 3.26Å; E48-S65 WeakPolarHBondContact OE1-CB 2.91Å; E48-S65 PolarHBondContact OE1-N 3.1Å; E48-S65 PolarHBondContact OE1-OG 2.72Å; S65-G67 VanDerWaalsContact C-N 3.3Å |
| 66 | Q | 94.3 | Very high | 96.3 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.5 | 176 | -58.4 | -175.5 | -3.7 | 0 | 0 | 112.8 | N64 | N64-Q66 PolarHBondContact O-N 3.42Å; N64-Q66 WeakPolarHBondContact OD1-CA 3.17Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.27Å; N64-Q66 PolarHBondContact OD1-N 3.47Å |
| 67 | G | 95.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 93 | 0.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | N64 S65 P181 M182 | N64-G67 PolarHBondContact O-N 3.42Å; N64-G67 VanDerWaalsContact O-N 3.13Å; N64-G67 PolarHBondContact OD1-N 2.88Å; S65-G67 VanDerWaalsContact C-N 3.3Å; G67-P181 CarbonylContact O-C 3.21Å; G67-P181 VanDerWaalsContact O-CA 3.26Å; G67-P181 WeakPolarHBondContact O-CA 3.42Å; G67-M182 VanDerWaalsContact CA-O 3.23Å; G67-M182 WeakPolarHBondContact CA-O 3.29Å; G67-M182 PolarHBondContact O-N 3.39Å | ||
| 68 | D | 96.5 | Very high | 96.4 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | trans | -70.9 | 132.7 | 178.2 | -57.4 | -51.2 | 0 | 0 | 0 | 110.6 | A63 N64 L70 | A63-D68 CarbonylContact C-O 3.48Å; A63-D68 VanDerWaalsContact CA-O 3.24Å; A63-D68 WeakPolarHBondContact CA-O 3.44Å; N64-D68 PolarHBondContact N-O 3.01Å; N64-D68 PolarHBondContact ND2-OD2 2.97Å; N64-D68 PolarHBondContact OD1-N 3.44Å; D68-L70 PolarHBondContact O-N 3.35Å | ||
| 69 | I | 97.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115 | 176.1 | -46.9 | -53.4 | 0 | 0 | 0 | 109.4 | I53 L61 A63 T82 L176 L179 M182 | I53-I69 HydrophobicContact CD1-CD1 3.8Å; L61-I69 HydrophobicContact CB-CD1 4.38Å; L61-I69 HydrophobicContact CB-CG2 3.85Å; L61-I69 HydrophobicContact CD2-CG2 4.5Å; A63-I69 HydrophobicContact CB-CD1 3.67Å; I69-T82 HydrophobicContact CB-CG2 4.09Å; I69-T82 HydrophobicContact CG2-CG2 3.71Å; I69-T82 WeakPolarHBondContact O-CG2 3.47Å; I69-T82 PolarHBondContact O-OG1 2.97Å; I69-L176 HydrophobicContact CG2-CD1 4.24Å; I69-L179 HydrophobicContact CD1-CD2 4.46Å; I69-L179 HydrophobicContact CG1-CD2 4.12Å; I69-M182 HydrophobicContact CD1-CG 4.36Å |
| 70 | L | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -46.3 | -177.6 | -58.4 | -176 | 0 | 0 | 0 | 111.7 | I43 F50 L62 N64 D68 T82 L85 | I43-L70 WeakPolarHBondContact O-CD1 3.43Å; F50-L70 HydrophobicContact CE1-CD1 3.77Å; L62-L70 PolarHBondContact O-N 3.44Å; N64-L70 HydrophobicContact CB-CD1 4.07Å; N64-L70 HydrophobicContact CB-CG 4.35Å; D68-L70 PolarHBondContact O-N 3.35Å; L70-T82 PolarHBondContact O-N 2.97Å; L70-T82 PolarHBondContact O-OG1 3.22Å; L70-L85 HydrophobicContact CB-CD2 4.39Å; L70-L85 VanDerWaalsContact O-CD2 3.29Å; L70-L85 WeakPolarHBondContact O-CD2 3.39Å |
| 71 | F | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.9 | -177.4 | -61.1 | -92.1 | 0 | 0 | 0 | 111.2 | L29 Y33 I36 I43 L62 Y79 L80 P81 L85 | L29-F71 HydrophobicContact CD1-CD2 4.34Å; L29-F71 HydrophobicContact CD1-CE2 3.87Å; L29-F71 HydrophobicContact CD1-CZ 3.99Å; L29-F71 HydrophobicContact CD2-CD1 3.83Å; L29-F71 HydrophobicContact CD2-CE1 3.57Å; L29-F71 HydrophobicContact CD2-CE2 4.32Å; L29-F71 HydrophobicContact CD2-CG 4.33Å; L29-F71 HydrophobicContact CD2-CZ 3.84Å; Y33-F71 HydrophobicContact CE2-CE1 4.41Å; I36-F71 HydrophobicContact CD1-CZ 4.1Å; I43-F71 HydrophobicContact CG2-CE2 3.93Å; I43-F71 HydrophobicContact CG2-CZ 4.19Å; L62-F71 HydrophobicContact CB-CB 4.22Å; L62-F71 HydrophobicContact CD2-CB 4.3Å; L62-F71 HydrophobicContact CD2-CD2 4.09Å; L62-F71 PolarHBondContact N-O 2.97Å; F71-Y79 HydrophobicContact CB-CD1 3.68Å; F71-Y79 HydrophobicContact CB-CG 4.2Å; F71-L80 CarbonylContact C-O 3.54Å; F71-L80 WeakPolarHBondContact CA-O 3.49Å; F71-L80 WeakPolarHBondContact CB-O 3.4Å; F71-P81 HydrophobicContact CD1-CB 4.27Å; F71-P81 HydrophobicContact CE1-CB 4.17Å; F71-L85 HydrophobicContact CD1-CD2 4.27Å; F71-L85 HydrophobicContact CD2-CD2 4.16Å; F71-L85 HydrophobicContact CE1-CD2 3.71Å; F71-L85 HydrophobicContact CE2-CD2 3.6Å; F71-L85 HydrophobicContact CG-CD2 4.47Å; F71-L85 HydrophobicContact CZ-CD2 3.34Å |
| 72 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.1 | 169.9 | 66 | -86.2 | 0 | 0 | 0 | 110.2 | M1 F2 E60 L61 Y79 L80 P81 T82 I147 I169 H170 L176 | M1-F72 HydrophobicContact SD-CD2 4.01Å; M1-F72 HydrophobicContact SD-CE2 3.93Å; F2-F72 HydrophobicContact CE2-CD1 4.43Å; F2-F72 AromaticContact CE2-CD2 3.63Å; F2-F72 HydrophobicContact CE2-CD2 3.63Å; F2-F72 HydrophobicContact CE2-CE1 4.44Å; F2-F72 AromaticContact CE2-CE2 3.65Å; F2-F72 HydrophobicContact CE2-CE2 3.65Å; F2-F72 HydrophobicContact CE2-CG 4.04Å; F2-F72 HydrophobicContact CE2-CZ 4.08Å; F2-F72 HydrophobicContact CZ-CB 4.2Å; F2-F72 AromaticContact CZ-CD2 3.66Å; F2-F72 HydrophobicContact CZ-CD2 3.66Å; F2-F72 HydrophobicContact CZ-CE2 4.16Å; F2-F72 AromaticContact CZ-CG 3.92Å; F2-F72 HydrophobicContact CZ-CG 3.92Å; E60-F72 CarbonylContact O-C 3.59Å; E60-F72 WeakPolarHBondContact O-CA 3.41Å; L61-F72 HydrophobicContact CD2-CB 3.56Å; F72-Y79 CarbonylContact O-C 3.6Å; F72-Y79 WeakPolarHBondContact O-CA 3.16Å; F72-L80 HydrophobicContact CD1-CB 4.33Å; F72-L80 HydrophobicContact CD2-CB 4.37Å; F72-L80 HydrophobicContact CE1-CB 3.87Å; F72-L80 HydrophobicContact CE2-CB 3.91Å; F72-L80 HydrophobicContact CE2-CD1 3.75Å; F72-L80 HydrophobicContact CE2-CG 4.22Å; F72-L80 HydrophobicContact CZ-CB 3.63Å; F72-L80 HydrophobicContact CZ-CD1 3.88Å; F72-L80 HydrophobicContact CZ-CG 4.31Å; F72-L80 PolarHBondContact N-O 2.88Å; F72-L80 PolarHBondContact O-N 3.08Å; F72-P81 VanDerWaalsContact CE1-O 3.27Å; F72-P81 WeakPolarHBondContact CE1-O 3.29Å; F72-T82 HydrophobicContact CD1-CG2 4.23Å; F72-I147 HydrophobicContact CE1-CD1 4.5Å; F72-I169 HydrophobicContact CE2-CG2 3.8Å; F72-I169 HydrophobicContact CZ-CG2 3.97Å; F72-H170 HydrophobicContact CE1-CB 4.23Å; F72-H170 AromaticContact CE1-CD2 3.98Å; F72-H170 HydrophobicContact CZ-CB 3.86Å; F72-L176 HydrophobicContact CB-CD2 4.47Å; F72-L176 HydrophobicContact CD1-CD2 3.74Å; F72-L176 HydrophobicContact CE1-CD2 4.16Å; F72-L176 HydrophobicContact CG-CD2 4.14Å |
| 73 | K | 97.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 13% | 0.13 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.6 | 168.4 | 63.4 | 171.1 | -177.3 | 170.6 | 0 | 110.2 | V59 E60 Y79 | V59-K73 WeakPolarHBondContact CA-O 3.35Å; E60-K73 HydrophobicContact CB-CG 4.12Å; E60-K73 PolarHBondContact N-O 2.75Å; E60-K73 PolarHBondContact O-N 2.76Å; E60-K73 WeakPolarHBondContact OE2-CE 3.43Å; E60-K73 IonicContact OE2-NZ 2.91Å; E60-K73 PolarHBondContact OE2-NZ 2.91Å; K73-Y79 HydrophobicContact CB-CD1 4.16Å; K73-Y79 HydrophobicContact CB-CE1 4.4Å; K73-Y79 HydrophobicContact CB-CG 4.47Å; K73-Y79 HydrophobicContact CD-CD1 4.41Å; K73-Y79 HydrophobicContact CD-CD2 4.31Å; K73-Y79 HydrophobicContact CD-CE1 4.04Å; K73-Y79 HydrophobicContact CD-CE2 3.89Å; K73-Y79 HydrophobicContact CG-CD1 4.13Å; K73-Y79 HydrophobicContact CG-CE1 3.86Å |
| 74 | H | 96.7 | Very high | 96.6 | Very high | 50 Ų | 50 | 48 Ų | 48 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.1 | 172.3 | 172 | -106.4 | 0 | 0 | 0 | 108.7 | M1 E57 N76 D77 | M1-H74 HydrophobicContact CE-CB 3.55Å; M1-H74 HydrophobicContact SD-CB 4.27Å; E57-H74 PolarHBondContact O-CD2 3.36Å; E57-H74 PolarHBondContact O-NE2 2.92Å; H74-N76 PolarHBondContact O-N 3.42Å; H74-D77 IonicContact ND1-OD2 3.8Å; H74-D77 VanDerWaalsContact O-CB 3.29Å; H74-D77 WeakPolarHBondContact O-CB 3.45Å; H74-D77 VanDerWaalsContact O-CG 3.27Å; H74-D77 PolarHBondContact O-N 2.74Å |
| 75 | R | 94 | Very high | 96.7 | Very high | 129 Ų | 129 | 47.6 Ų | 47.6 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -119.5 | -176.1 | -60.2 | 179.8 | 177.6 | -79.3 | -2.2 | 112.2 | H58 | H58-R75 HydrophobicContact CB-CG 3.64Å; H58-R75 PolarHBondContact CD2-NH1 3.38Å; H58-R75 VanDerWaalsContact CD2-NH1 3.29Å; H58-R75 PolarHBondContact CD2-NH2 3.23Å; H58-R75 PolarHBondContact NE2-NH1 3.07Å; H58-R75 PolarHBondContact NE2-NH2 3.17Å; H58-R75 PolarHBondContact O-N 3.47Å |
| 76 | N | 92.1 | Very high | 96.9 | Very high | 148 Ų | 148 | 44.4 Ų | 44.4 | 79% | 0.791 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 10 | -175.5 | -65 | -34.9 | 0 | 0 | 0 | 112.8 | H74 | H74-N76 PolarHBondContact O-N 3.42Š|
| 77 | D | 94.7 | Very high | 97.1 | Very high | 98 Ų | 98 | 40 Ų | 40 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -67.2 | 164.8 | 177.8 | -60.7 | -25.3 | 0 | 0 | 0 | 111.2 | H74 | H74-D77 IonicContact ND1-OD2 3.8Å; H74-D77 VanDerWaalsContact O-CB 3.29Å; H74-D77 WeakPolarHBondContact O-CB 3.45Å; H74-D77 VanDerWaalsContact O-CG 3.27Å; H74-D77 PolarHBondContact O-N 2.74Å |
| 78 | N | 96.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 151.8 | 172.6 | -70.6 | -37.3 | 0 | 0 | 0 | 111.3 | V32 L80 | V32-N78 HydrophobicContact CG1-CB 4.38Å; V32-N78 HydrophobicContact CG2-CB 4Å; V32-N78 VanDerWaalsContact CG2-CG 3.49Å; N78-L80 PolarHBondContact O-N 3.26Å |
| 79 | Y | 97.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 45 Ų | 45 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 129.2 | 172.4 | -81.7 | -79.8 | 0 | 0 | 0 | 110.7 | I25 Y33 L52 L62 F71 F72 K73 | I25-Y79 HydrophobicContact CB-CE2 4.49Å; I25-Y79 HydrophobicContact CD1-CE2 4.03Å; I25-Y79 HydrophobicContact CG1-CE2 3.8Å; I25-Y79 HydrophobicContact CG2-CD2 4.14Å; I25-Y79 HydrophobicContact CG2-CE2 4.02Å; Y33-Y79 VanDerWaalsContact CE2-O 3.28Å; Y33-Y79 WeakPolarHBondContact CE2-O 3.37Å; Y33-Y79 PolarHBondContact OH-O 3.34Å; L52-Y79 WeakPolarHBondContact CD1-OH 3.4Å; L62-Y79 HydrophobicContact CB-CE1 4.08Å; L62-Y79 HydrophobicContact CD2-CE1 4.34Å; F71-Y79 HydrophobicContact CB-CD1 3.68Å; F71-Y79 HydrophobicContact CB-CG 4.2Å; F72-Y79 CarbonylContact O-C 3.6Å; F72-Y79 WeakPolarHBondContact O-CA 3.16Å; K73-Y79 HydrophobicContact CB-CD1 4.16Å; K73-Y79 HydrophobicContact CB-CE1 4.4Å; K73-Y79 HydrophobicContact CB-CG 4.47Å; K73-Y79 HydrophobicContact CD-CD1 4.41Å; K73-Y79 HydrophobicContact CD-CD2 4.31Å; K73-Y79 HydrophobicContact CD-CE1 4.04Å; K73-Y79 HydrophobicContact CD-CE2 3.89Å; K73-Y79 HydrophobicContact CG-CD1 4.13Å; K73-Y79 HydrophobicContact CG-CE1 3.86Å |
| 80 | L | 98.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.9 | 172.5 | -53.4 | -170.8 | 0 | 0 | 0 | 109.2 | F71 F72 N78 I133 I169 | F71-L80 CarbonylContact C-O 3.54Å; F71-L80 WeakPolarHBondContact CA-O 3.49Å; F71-L80 WeakPolarHBondContact CB-O 3.4Å; F72-L80 HydrophobicContact CD1-CB 4.33Å; F72-L80 HydrophobicContact CD2-CB 4.37Å; F72-L80 HydrophobicContact CE1-CB 3.87Å; F72-L80 HydrophobicContact CE2-CB 3.91Å; F72-L80 HydrophobicContact CE2-CD1 3.75Å; F72-L80 HydrophobicContact CE2-CG 4.22Å; F72-L80 HydrophobicContact CZ-CB 3.63Å; F72-L80 HydrophobicContact CZ-CD1 3.88Å; F72-L80 HydrophobicContact CZ-CG 4.31Å; F72-L80 PolarHBondContact N-O 2.88Å; F72-L80 PolarHBondContact O-N 3.08Å; N78-L80 PolarHBondContact O-N 3.26Å; L80-I133 HydrophobicContact CD1-CD1 4.4Å; L80-I133 HydrophobicContact CD2-CB 4.41Å; L80-I133 HydrophobicContact CD2-CD1 4.25Å; L80-I133 HydrophobicContact CD2-CG1 3.8Å; L80-I133 HydrophobicContact CD2-CG2 4.06Å; L80-I169 HydrophobicContact CD1-CD1 4.03Å; L80-I169 HydrophobicContact CD1-CG2 4.17Å |
| 81 | P | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 150.4 | 174.4 | 29.3 | -35.3 | 0 | 0 | 0 | 110 | Y33 F71 F72 L85 L86 L92 L93 I147 | Y33-P81 WeakPolarHBondContact OH-CD 3.48Å; F71-P81 HydrophobicContact CD1-CB 4.27Å; F71-P81 HydrophobicContact CE1-CB 4.17Å; F72-P81 VanDerWaalsContact CE1-O 3.27Å; F72-P81 WeakPolarHBondContact CE1-O 3.29Å; P81-L85 HydrophobicContact CB-CB 4.36Å; P81-L85 HydrophobicContact CB-CD2 3.99Å; P81-L85 HydrophobicContact CB-CG 4.39Å; P81-L86 HydrophobicContact CG-CD1 4.49Å; P81-L92 HydrophobicContact CB-CD1 4.13Å; P81-L92 HydrophobicContact CG-CD1 4.5Å; P81-L93 HydrophobicContact CG-CD1 3.94Å; P81-L93 HydrophobicContact CG-CG 4.22Å; P81-I147 HydrophobicContact CG-CD1 4.34Å; P81-I147 WeakPolarHBondContact O-CD1 3.33Å |
| 82 | T | 98.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 161.2 | 164 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | I69 L70 F72 R84 L85 L86 L176 | I69-T82 HydrophobicContact CB-CG2 4.09Å; I69-T82 HydrophobicContact CG2-CG2 3.71Å; I69-T82 WeakPolarHBondContact O-CG2 3.47Å; I69-T82 PolarHBondContact O-OG1 2.97Å; L70-T82 PolarHBondContact O-N 2.97Å; L70-T82 PolarHBondContact O-OG1 3.22Å; F72-T82 HydrophobicContact CD1-CG2 4.23Å; T82-R84 PolarHBondContact O-N 2.89Å; T82-L85 PolarHBondContact O-N 3.49Å; T82-L85 PolarHBondContact OG1-N 3.02Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.22Å; T82-L176 HydrophobicContact CG2-CD2 4.22Å |
| 83 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -34.6 | 173.6 | -79.6 | 165.9 | 0 | 0 | 0 | 112.2 | L86 H87 A144 I147 H170 L172 W177 | L83-L86 HydrophobicContact CD2-CD2 4.3Å; L83-L86 PolarHBondContact O-N 2.88Å; L83-H87 WeakPolarHBondContact O-CB 3.13Å; L83-H87 PolarHBondContact O-CD2 2.79Å; L83-H87 PolarHBondContact O-N 3.28Å; L83-A144 HydrophobicContact CD2-CB 3.97Å; L83-I147 HydrophobicContact CD2-CD1 4.46Å; L83-I147 HydrophobicContact CD2-CG1 3.97Å; L83-I147 HydrophobicContact CG-CD1 4.42Å; L83-I147 HydrophobicContact CG-CG1 4.3Å; L83-H170 PolarHBondContact N-NE2 3.32Å; L83-L172 HydrophobicContact CB-CD2 4.21Å; L83-L172 HydrophobicContact CD1-CD2 3.84Å; L83-L172 HydrophobicContact CD1-CG 4.05Å; L83-L172 VanDerWaalsContact CD1-N 3.31Å; L83-W177 HydrophobicContact CB-CE3 3.96Å; L83-W177 HydrophobicContact CB-CZ3 3.89Å |
| 84 | R | 97.8 | Very high | 97.2 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.4 | -65 | -178.8 | -173.3 | -79.7 | -3.3 | 111.7 | T82 Q88 W177 | T82-R84 PolarHBondContact O-N 2.89Å; R84-Q88 PolarHBondContact O-N 2.98Å; R84-W177 HydrophobicContact CG-CE3 3.98Å; R84-W177 HydrophobicContact CG-CH2 4.14Å; R84-W177 HydrophobicContact CG-CZ3 3.53Å; R84-W177 PolarHBondContact NH2-O 2.8Å |
| 85 | L | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 176.1 | -176.2 | 65.6 | 0 | 0 | 0 | 111.2 | I43 L70 F71 P81 T82 H87 Q88 Y89 L92 | I43-L85 HydrophobicContact CD1-CD1 4.47Å; I43-L85 HydrophobicContact CG1-CD1 4.3Å; I43-L85 HydrophobicContact CG2-CD1 3.87Å; I43-L85 HydrophobicContact CG2-CD2 4.1Å; L70-L85 HydrophobicContact CB-CD2 4.39Å; L70-L85 VanDerWaalsContact O-CD2 3.29Å; L70-L85 WeakPolarHBondContact O-CD2 3.39Å; F71-L85 HydrophobicContact CD1-CD2 4.27Å; F71-L85 HydrophobicContact CD2-CD2 4.16Å; F71-L85 HydrophobicContact CE1-CD2 3.71Å; F71-L85 HydrophobicContact CE2-CD2 3.6Å; F71-L85 HydrophobicContact CG-CD2 4.47Å; F71-L85 HydrophobicContact CZ-CD2 3.34Å; P81-L85 HydrophobicContact CB-CB 4.36Å; P81-L85 HydrophobicContact CB-CD2 3.99Å; P81-L85 HydrophobicContact CB-CG 4.39Å; T82-L85 PolarHBondContact O-N 3.49Å; T82-L85 PolarHBondContact OG1-N 3.02Å; L85-H87 VanDerWaalsContact C-N 3.28Å; L85-H87 PolarHBondContact O-N 2.92Å; L85-Q88 PolarHBondContact O-N 2.73Å; L85-Q88 VanDerWaalsContact O-N 3.07Å; L85-Y89 HydrophobicContact CD1-CD2 3.6Å; L85-Y89 HydrophobicContact CD1-CE2 3.8Å; L85-Y89 HydrophobicContact CG-CD2 4.3Å; L85-Y89 PolarHBondContact O-N 3.18Å; L85-L92 HydrophobicContact CD2-CD1 4.35Å; L85-L92 HydrophobicContact CG-CD1 4.28Å |
| 86 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -31.6 | 178.5 | -174.6 | 64.5 | 0 | 0 | 0 | 112.7 | P81 T82 L83 Q88 Y89 P90 L92 L93 A135 A144 I147 | P81-L86 HydrophobicContact CG-CD1 4.49Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.22Å; L83-L86 HydrophobicContact CD2-CD2 4.3Å; L83-L86 PolarHBondContact O-N 2.88Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.81Å; L86-Y89 CarbonylContact O-C 3.56Å; L86-Y89 PolarHBondContact O-N 3.01Å; L86-P90 WeakPolarHBondContact O-CA 3.29Å; L86-L92 HydrophobicContact CD1-CB 4.05Å; L86-L93 HydrophobicContact CD1-CB 4.07Å; L86-L93 HydrophobicContact CD1-CD1 4.09Å; L86-L93 HydrophobicContact CD1-CG 4.04Å; L86-L93 HydrophobicContact CD2-CD1 3.93Å; L86-A135 HydrophobicContact CD2-CB 3.82Å; L86-A144 HydrophobicContact CD2-CB 3.92Å; L86-I147 HydrophobicContact CD2-CD1 4.11Å; L86-I147 HydrophobicContact CD2-CG1 3.86Å |
| 87 | H | 98.2 | Very high | 97.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 173.7 | -68.4 | -178.2 | 0 | 0 | 0 | 112.1 | L83 L85 H143 A144 W177 | L83-H87 WeakPolarHBondContact O-CB 3.13Å; L83-H87 PolarHBondContact O-CD2 2.79Å; L83-H87 PolarHBondContact O-N 3.28Å; L85-H87 VanDerWaalsContact C-N 3.28Å; L85-H87 PolarHBondContact O-N 2.92Å; H87-H143 AromaticContact CG-CG 3.89Å; H87-H143 AromaticContact ND1-CG 3.84Å; H87-H143 AromaticContact ND1-ND1 3.81Å; H87-A144 PolarHBondContact NE2-O 2.85Å; H87-W177 AromaticContact CE1-CH2 3.91Å |
| 88 | Q | 97.5 | Very high | 97.9 | Very high | 133 Ų | 133 | 37.5 Ų | 37.5 | 62% | 0.621 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -78.1 | -35.7 | 175.5 | -63.3 | 179.3 | 26.1 | 0 | 0 | 112.1 | R84 L85 L86 P90 | R84-Q88 PolarHBondContact O-N 2.98Å; L85-Q88 PolarHBondContact O-N 2.73Å; L85-Q88 VanDerWaalsContact O-N 3.07Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.81Å; Q88-P90 WeakPolarHBondContact O-CD 3.02Å |
| 89 | Y | 97.9 | Very high | 97.8 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | trans | -127.3 | 70.8 | -176.6 | -55.5 | -78.8 | 0 | 0 | 0 | 110.7 | F39 I43 L85 L86 F91 L92 | F39-Y89 HydrophobicContact CB-CD1 4.32Å; F39-Y89 HydrophobicContact CB-CE1 3.85Å; F39-Y89 HydrophobicContact CD1-CD1 4.3Å; F39-Y89 AromaticContact CD1-CE1 3.66Å; F39-Y89 HydrophobicContact CD1-CE1 3.66Å; F39-Y89 HydrophobicContact CE1-CE1 4.38Å; F39-Y89 HydrophobicContact CG-CD1 4.16Å; F39-Y89 AromaticContact CG-CE1 3.81Å; F39-Y89 HydrophobicContact CG-CE1 3.81Å; I43-Y89 HydrophobicContact CD1-CD1 4.13Å; I43-Y89 HydrophobicContact CD1-CD2 3.63Å; I43-Y89 HydrophobicContact CD1-CE1 4.02Å; I43-Y89 HydrophobicContact CD1-CE2 3.53Å; I43-Y89 HydrophobicContact CD1-CG 3.92Å; I43-Y89 HydrophobicContact CG1-CD2 4.04Å; I43-Y89 HydrophobicContact CG1-CE1 4.34Å; I43-Y89 HydrophobicContact CG1-CE2 3.43Å; I43-Y89 VanDerWaalsContact CG1-CE2 3.43Å; L85-Y89 HydrophobicContact CD1-CD2 3.6Å; L85-Y89 HydrophobicContact CD1-CE2 3.8Å; L85-Y89 HydrophobicContact CG-CD2 4.3Å; L85-Y89 PolarHBondContact O-N 3.18Å; L86-Y89 CarbonylContact O-C 3.56Å; L86-Y89 PolarHBondContact O-N 3.01Å; Y89-F91 AromaticContact CD1-CE1 3.83Å; Y89-F91 HydrophobicContact CD1-CE1 3.83Å; Y89-F91 AromaticContact CD1-CZ 3.59Å; Y89-F91 HydrophobicContact CD1-CZ 3.59Å; Y89-F91 HydrophobicContact CG-CE1 4.41Å; Y89-F91 HydrophobicContact CG-CZ 4.13Å; Y89-F91 PolarHBondContact O-N 2.85Å; Y89-F91 VanDerWaalsContact O-N 3.13Å; Y89-L92 WeakPolarHBondContact O-CB 3.49Å; Y89-L92 VanDerWaalsContact O-CG 3.28Å; Y89-L92 WeakPolarHBondContact O-CG 3.42Å; Y89-L92 PolarHBondContact O-N 3.33Å; Y89-L92 VanDerWaalsContact O-N 3.14Å | ||
| 90 | P | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 40.1 Ų | 40.1 | 56% | 0.558 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -65 | -20.4 | -172.6 | 24.5 | -34.7 | 0 | 0 | 0 | 113.7 | L86 Q88 L92 | L86-P90 WeakPolarHBondContact O-CA 3.29Å; Q88-P90 WeakPolarHBondContact O-CD 3.02Å; P90-L92 PolarHBondContact O-N 3.07Å |
| 91 | F | 96.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -71.3 | -6.2 | 177 | 58.5 | -103.4 | 0 | 0 | 0 | 114.1 | S35 F39 Y89 L93 | S35-F91 WeakPolarHBondContact O-CE2 3.45Å; S35-F91 PolarHBondContact OG-O 3.32Å; F39-F91 HydrophobicContact CD2-CE1 4.23Å; F39-F91 HydrophobicContact CD2-CE2 4.17Å; F39-F91 AromaticContact CD2-CZ 3.44Å; F39-F91 HydrophobicContact CD2-CZ 3.44Å; F39-F91 VanDerWaalsContact CD2-CZ 3.44Å; F39-F91 AromaticContact CE2-CE1 3.91Å; F39-F91 HydrophobicContact CE2-CE1 3.91Å; F39-F91 HydrophobicContact CE2-CE2 4.39Å; F39-F91 AromaticContact CE2-CZ 3.53Å; F39-F91 HydrophobicContact CE2-CZ 3.53Å; F39-F91 HydrophobicContact CG-CZ 4.2Å; F39-F91 HydrophobicContact CZ-CE1 4.39Å; F39-F91 HydrophobicContact CZ-CZ 4.37Å; Y89-F91 AromaticContact CD1-CE1 3.83Å; Y89-F91 HydrophobicContact CD1-CE1 3.83Å; Y89-F91 AromaticContact CD1-CZ 3.59Å; Y89-F91 HydrophobicContact CD1-CZ 3.59Å; Y89-F91 HydrophobicContact CG-CE1 4.41Å; Y89-F91 HydrophobicContact CG-CZ 4.13Å; Y89-F91 PolarHBondContact O-N 2.85Å; Y89-F91 VanDerWaalsContact O-N 3.13Å; F91-L93 VanDerWaalsContact C-N 3.26Å; F91-L93 PolarHBondContact O-N 3.5Å |
| 92 | L | 97.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -66.8 | -27.5 | 178.8 | -71.1 | 176.6 | 0 | 0 | 0 | 112.7 | Y33 I36 P81 L85 L86 Y89 P90 | Y33-L92 VanDerWaalsContact CD1-O 3.24Å; Y33-L92 WeakPolarHBondContact CD1-O 3.43Å; Y33-L92 HydrophobicContact CG-CD2 4.31Å; I36-L92 HydrophobicContact CB-CD2 3.83Å; I36-L92 HydrophobicContact CD1-CD2 3.82Å; I36-L92 HydrophobicContact CG1-CD2 3.81Å; P81-L92 HydrophobicContact CB-CD1 4.13Å; P81-L92 HydrophobicContact CG-CD1 4.5Å; L85-L92 HydrophobicContact CD2-CD1 4.35Å; L85-L92 HydrophobicContact CG-CD1 4.28Å; L86-L92 HydrophobicContact CD1-CB 4.05Å; Y89-L92 WeakPolarHBondContact O-CB 3.49Å; Y89-L92 VanDerWaalsContact O-CG 3.28Å; Y89-L92 WeakPolarHBondContact O-CG 3.42Å; Y89-L92 PolarHBondContact O-N 3.33Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; P90-L92 PolarHBondContact O-N 3.07Å |
| 93 | L | 98 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -134.1 | 140.6 | -179 | -63.8 | 177.1 | 0 | 0 | 0 | 111.2 | Y33 P81 L86 F91 A95 I133 A135 I147 | Y33-L93 HydrophobicContact CE1-CD2 3.76Å; P81-L93 HydrophobicContact CG-CD1 3.94Å; P81-L93 HydrophobicContact CG-CG 4.22Å; L86-L93 HydrophobicContact CD1-CB 4.07Å; L86-L93 HydrophobicContact CD1-CD1 4.09Å; L86-L93 HydrophobicContact CD1-CG 4.04Å; L86-L93 HydrophobicContact CD2-CD1 3.93Å; F91-L93 VanDerWaalsContact C-N 3.26Å; F91-L93 PolarHBondContact O-N 3.5Å; L93-A95 PolarHBondContact O-N 3.49Å; L93-I133 HydrophobicContact CD1-CG2 3.97Å; L93-I133 HydrophobicContact CD2-CB 4.09Å; L93-I133 HydrophobicContact CD2-CG2 3.78Å; L93-A135 HydrophobicContact CB-CB 4.13Å; L93-I147 HydrophobicContact CD1-CD1 4.31Å; L93-I147 HydrophobicContact CD1-CG1 4.21Å; L93-I147 HydrophobicContact CD1-CG2 4.06Å |
| 94 | P | 97.7 | Very high | 97.1 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -60.1 | 134.5 | 169 | 20.3 | -26.6 | 0 | 0 | 0 | 110.4 | L125 I128 T132 V134 A135 | P94-L125 HydrophobicContact CB-CD2 3.59Å; P94-I128 HydrophobicContact CB-CD1 4.15Å; P94-I128 HydrophobicContact CG-CD1 4.46Å; P94-T132 HydrophobicContact CG-CG2 3.97Å; P94-V134 HydrophobicContact CG-CG1 4.08Å; P94-V134 CarbonylContact O-C 3.6Å; P94-V134 VanDerWaalsContact O-CA 3.27Å; P94-V134 WeakPolarHBondContact O-CA 3.24Å; P94-V134 WeakPolarHBondContact O-CB 3.49Å; P94-A135 PolarHBondContact O-N 3.14Å | ||
| 95 | A | 97.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L93 A135 T137 | L93-A95 PolarHBondContact O-N 3.49Å; A95-A135 CarbonylContact C-O 3.44Å; A95-A135 WeakPolarHBondContact CA-O 3.45Å; A95-A135 HydrophobicContact CB-CB 4.43Å; A95-T137 HydrophobicContact CB-CG2 4.05Å |
| 96 | Q | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.5 | 168.6 | -55.5 | -61.4 | -7.5 | 0 | 0 | 108 | L117 L124 V134 A135 I136 T137 M150 | Q96-L117 HydrophobicContact CB-CD2 4.02Å; Q96-L124 HydrophobicContact CG-CD1 4.47Å; Q96-L124 VanDerWaalsContact OE1-CA 3.29Å; Q96-V134 HydrophobicContact CG-CB 3.99Å; Q96-V134 HydrophobicContact CG-CG1 3.94Å; Q96-V134 HydrophobicContact CG-CG2 4.17Å; Q96-A135 PolarHBondContact N-O 3.13Å; Q96-I136 HydrophobicContact CB-CD1 4.17Å; Q96-I136 WeakPolarHBondContact O-CA 3.45Å; Q96-T137 PolarHBondContact O-N 3.43Å; Q96-M150 HydrophobicContact CG-SD 4.09Å |
| 97 | Q | 98.3 | Very high | 97 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123 | -178.4 | -177.9 | 178.8 | -65.7 | 0 | 0 | 110 | G121 A122 S123 T137 | Q97-G121 PolarHBondContact NE2-O 2.8Å; Q97-A122 VanDerWaalsContact O-CA 3.28Å; Q97-A122 WeakPolarHBondContact O-CA 3.44Å; Q97-A122 WeakPolarHBondContact O-CB 3.38Å; Q97-S123 PolarHBondContact N-O 2.74Å; Q97-S123 PolarHBondContact O-N 3.35Å; Q97-T137 WeakPolarHBondContact CA-O 3.48Å; Q97-T137 WeakPolarHBondContact CA-OG1 3.47Å; Q97-T137 WeakPolarHBondContact CB-OG1 3.4Å |
| 98 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 158.7 | 169.5 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | A102 V106 I112 G116 L117 I136 T137 A138 E139 | V98-A102 HydrophobicContact CB-CB 3.76Å; V98-A102 HydrophobicContact CG1-CB 4.42Å; V98-A102 HydrophobicContact CG2-CB 3.78Å; V98-V106 HydrophobicContact CG2-CG2 4.39Å; V98-I112 HydrophobicContact CG1-CG1 4.08Å; V98-I112 HydrophobicContact CG1-CG2 3.63Å; V98-G116 WeakPolarHBondContact CA-O 3.43Å; V98-L117 HydrophobicContact CG1-CD2 3.86Å; V98-I136 HydrophobicContact CG1-CG2 3.97Å; V98-I136 HydrophobicContact CG2-CG2 4.27Å; V98-T137 WeakPolarHBondContact CG2-O 3.28Å; V98-T137 PolarHBondContact N-O 2.95Å; V98-A138 HydrophobicContact CG2-CB 4.03Å; V98-A138 WeakPolarHBondContact O-CA 3.36Å; V98-E139 PolarHBondContact O-N 3.18Å |
| 99 | D | 94.8 | Very high | 96.9 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 166.7 | 170.3 | 67.3 | 59.7 | 0 | 0 | 0 | 113.7 | G101 A102 G116 S119 | D99-G101 PolarHBondContact O-N 2.62Å; D99-G101 WeakPolarHBondContact OD1-CA 3.21Å; D99-G101 PolarHBondContact OD1-N 2.91Å; D99-A102 PolarHBondContact O-N 2.91Å; D99-A102 PolarHBondContact OD1-N 2.97Å; D99-G116 PolarHBondContact N-O 2.97Å; D99-S119 VanDerWaalsContact CB-OG 3.24Å; D99-S119 WeakPolarHBondContact CB-OG 3.43Å; D99-S119 PolarHBondContact OD2-OG 3.17Å |
| 100 | K | 94.5 | Very high | 96.9 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.4 | 178.7 | -71.2 | 169.3 | 175.6 | 147.1 | 0 | 113.7 | A102 I103 E139 | K100-A102 VanDerWaalsContact C-N 3.32Å; K100-A102 PolarHBondContact O-N 3.35Å; K100-I103 HydrophobicContact CB-CD1 4.45Å; K100-I103 HydrophobicContact CG-CD1 4.5Å; K100-I103 WeakPolarHBondContact O-CG1 3.44Å; K100-I103 PolarHBondContact O-N 2.86Å; K100-E139 VanDerWaalsContact CE-CD 3.42Å; K100-E139 VanDerWaalsContact CE-OE1 3.28Å; K100-E139 WeakPolarHBondContact CE-OE1 3.45Å; K100-E139 HydrophobicContact CG-CB 4.1Å; K100-E139 WeakPolarHBondContact CG-OE2 3.35Å; K100-E139 VanDerWaalsContact NZ-CD 3.33Å; K100-E139 IonicContact NZ-OE1 2.67Å; K100-E139 PolarHBondContact NZ-OE1 3Å; K100-E139 IonicContact NZ-OE2 3.65Å |
| 101 | G | 94.7 | Very high | 96.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -29.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D99 F105 | D99-G101 PolarHBondContact O-N 2.62Å; D99-G101 WeakPolarHBondContact OD1-CA 3.21Å; D99-G101 PolarHBondContact OD1-N 2.91Å; G101-F105 WeakPolarHBondContact O-CD2 3.29Å |
| 102 | A | 95.5 | Very high | 97 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -25.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | V98 D99 K100 R104 F105 V106 | V98-A102 HydrophobicContact CB-CB 3.76Å; V98-A102 HydrophobicContact CG1-CB 4.42Å; V98-A102 HydrophobicContact CG2-CB 3.78Å; D99-A102 PolarHBondContact O-N 2.91Å; D99-A102 PolarHBondContact OD1-N 2.97Å; K100-A102 VanDerWaalsContact C-N 3.32Å; K100-A102 PolarHBondContact O-N 3.35Å; A102-R104 PolarHBondContact O-N 3.39Å; A102-F105 WeakPolarHBondContact O-CB 3.28Å; A102-F105 PolarHBondContact O-N 3.03Å; A102-V106 HydrophobicContact CB-CG2 4.48Å; A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 3.43Å |
| 103 | I | 96 | Very high | 97 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -49.3 | -52.7 | -170.6 | -64.4 | 177.5 | 0 | 0 | 0 | 112.4 | K100 F105 V106 L107 A138 K141 L145 | K100-I103 HydrophobicContact CB-CD1 4.45Å; K100-I103 HydrophobicContact CG-CD1 4.5Å; K100-I103 WeakPolarHBondContact O-CG1 3.44Å; K100-I103 PolarHBondContact O-N 2.86Å; I103-F105 PolarHBondContact O-N 3.23Å; I103-V106 PolarHBondContact O-N 3Å; I103-L107 HydrophobicContact CG2-CD1 3.96Å; I103-L107 HydrophobicContact CG2-CG 4.43Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 2.88Å; I103-A138 HydrophobicContact CD1-CB 3.73Å; I103-A138 HydrophobicContact CG1-CB 3.57Å; I103-K141 HydrophobicContact CD1-CG 4.39Å; I103-L145 HydrophobicContact CB-CD1 4.32Å; I103-L145 HydrophobicContact CG1-CD1 4.08Å; I103-L145 HydrophobicContact CG2-CD1 3.97Å |
| 104 | R | 96.7 | Very high | 97 | Very high | 173 Ų | 173 | 49.2 Ų | 49.2 | 65% | 0.653 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.5 | -34.2 | -177.1 | 69.3 | 178.6 | 179.7 | -176.7 | -4.4 | 112.9 | A102 S108 | A102-R104 PolarHBondContact O-N 3.39Å; R104-S108 PolarHBondContact O-N 3.29Å; R104-S108 PolarHBondContact O-OG 2.67Å |
| 105 | F | 97 | Very high | 96.9 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 45% | 0.452 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -79.4 | -41.2 | -177.3 | -60.9 | -70.6 | 0 | 0 | 0 | 110.8 | G101 A102 I103 L107 S108 G109 A110 | G101-F105 WeakPolarHBondContact O-CD2 3.29Å; A102-F105 WeakPolarHBondContact O-CB 3.28Å; A102-F105 PolarHBondContact O-N 3.03Å; I103-F105 PolarHBondContact O-N 3.23Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.63Å; F105-S108 CarbonylContact O-C 3.5Å; F105-S108 WeakPolarHBondContact O-CA 3.44Å; F105-S108 WeakPolarHBondContact O-CB 3.16Å; F105-S108 PolarHBondContact O-N 3.46Å; F105-G109 PolarHBondContact O-N 2.87Å; F105-A110 HydrophobicContact CB-CB 3.9Å; F105-A110 WeakPolarHBondContact O-CB 2.97Å; F105-A110 PolarHBondContact O-N 3.21Å |
| 106 | V | 97.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 173.7 | 176 | 0 | 0 | 0 | 0 | 110.4 | V98 A102 I103 S108 G109 I112 I136 L145 A146 | V98-V106 HydrophobicContact CG2-CG2 4.39Å; A102-V106 HydrophobicContact CB-CG2 4.48Å; A102-V106 WeakPolarHBondContact O-CG2 3.48Å; A102-V106 PolarHBondContact O-N 3.43Å; I103-V106 PolarHBondContact O-N 3Å; V106-S108 PolarHBondContact O-N 2.99Å; V106-S108 VanDerWaalsContact O-N 3.08Å; V106-G109 PolarHBondContact O-N 3.45Å; V106-I112 HydrophobicContact CG2-CD1 4.34Å; V106-I112 HydrophobicContact CG2-CG1 4.11Å; V106-I136 HydrophobicContact CG1-CG2 4.08Å; V106-I136 HydrophobicContact CG2-CG2 4.36Å; V106-L145 HydrophobicContact CG1-CB 3.88Å; V106-A146 HydrophobicContact CG1-CB 3.65Å |
| 107 | L | 96.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.6 | 176.1 | -66.9 | -178.7 | 0 | 0 | 0 | 114.4 | I103 F105 L145 Y171 L172 | I103-L107 HydrophobicContact CG2-CD1 3.96Å; I103-L107 HydrophobicContact CG2-CG 4.43Å; I103-L107 WeakPolarHBondContact O-CG 3.38Å; I103-L107 PolarHBondContact O-N 2.88Å; F105-L107 VanDerWaalsContact C-N 3.31Å; F105-L107 PolarHBondContact O-N 2.63Å; L107-L145 HydrophobicContact CD2-CB 4.3Å; L107-L145 HydrophobicContact CD2-CD2 4.33Å; L107-Y171 WeakPolarHBondContact O-CD2 3.29Å; L107-Y171 VanDerWaalsContact O-CE2 3.25Å; L107-Y171 WeakPolarHBondContact O-CE2 3.34Å; L107-L172 HydrophobicContact CD2-CB 3.71Å; L107-L172 HydrophobicContact CD2-CD1 4.28Å; L107-L172 HydrophobicContact CD2-CG 4.44Å |
| 108 | S | 96.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 5.9 | 174.2 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | K3 R104 F105 V106 | K3-S108 PolarHBondContact NZ-O 2.72Å; R104-S108 PolarHBondContact O-N 3.29Å; R104-S108 PolarHBondContact O-OG 2.67Å; F105-S108 CarbonylContact O-C 3.5Å; F105-S108 WeakPolarHBondContact O-CA 3.44Å; F105-S108 WeakPolarHBondContact O-CB 3.16Å; F105-S108 PolarHBondContact O-N 3.46Å; V106-S108 PolarHBondContact O-N 2.99Å; V106-S108 VanDerWaalsContact O-N 3.08Å |
| 109 | G | 96.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 17.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | F105 V106 Y171 | F105-G109 PolarHBondContact O-N 2.87Å; V106-G109 PolarHBondContact O-N 3.45Å; G109-Y171 VanDerWaalsContact CA-CD1 3.49Å |
| 110 | A | 97.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 151.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F105 S168 | F105-A110 HydrophobicContact CB-CB 3.9Å; F105-A110 WeakPolarHBondContact O-CB 2.97Å; F105-A110 PolarHBondContact O-N 3.21Å; A110-S168 VanDerWaalsContact O-CB 3.29Å; A110-S168 WeakPolarHBondContact O-CB 3.37Å |
| 111 | H | 98.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 157.6 | 167.2 | -52.9 | -39 | 0 | 0 | 0 | 110.8 | V164 S168 | H111-V164 HydrophobicContact CB-CG1 3.72Å; H111-V164 HydrophobicContact CB-CG2 4.2Å; H111-S168 PolarHBondContact ND1-N 3.18Å |
| 112 | I | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.7 | -179.6 | -62.2 | 70.5 | 0 | 0 | 0 | 107.5 | V98 V106 L117 I136 G165 V166 | V98-I112 HydrophobicContact CG1-CG1 4.08Å; V98-I112 HydrophobicContact CG1-CG2 3.63Å; V106-I112 HydrophobicContact CG2-CD1 4.34Å; V106-I112 HydrophobicContact CG2-CG1 4.11Å; I112-L117 HydrophobicContact CG2-CD1 3.64Å; I112-L117 HydrophobicContact CG2-CD2 3.95Å; I112-L117 HydrophobicContact CG2-CG 3.54Å; I112-I136 HydrophobicContact CD1-CD1 4.18Å; I112-I136 HydrophobicContact CD1-CG1 3.96Å; I112-I136 HydrophobicContact CD1-CG2 4.48Å; I112-I136 HydrophobicContact CG1-CD1 4.2Å; I112-I136 HydrophobicContact CG1-CG1 4.36Å; I112-I136 HydrophobicContact CG1-CG2 4.29Å; I112-G165 PolarHBondContact O-N 3.16Å; I112-V166 HydrophobicContact CB-CB 4.07Å; I112-V166 HydrophobicContact CD1-CB 4.36Å; I112-V166 PolarHBondContact N-O 3.42Å; I112-V166 PolarHBondContact O-N 3.47Å; I112-V166 VanDerWaalsContact O-N 3.1Å |
| 113 | M | 97.7 | Very high | 96.5 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.9 | 179.1 | -52.5 | -55.3 | -71.3 | 0 | 0 | 110 | P115 G116 G163 V164 | M113-P115 VanDerWaalsContact C-CD 3.48Å; M113-P115 VanDerWaalsContact C-N 3.32Å; M113-G116 PolarHBondContact O-N 3.37Å; M113-G163 CarbonylContact C-O 3.5Å; M113-G163 VanDerWaalsContact CA-O 3.3Å; M113-G163 WeakPolarHBondContact CA-O 3.42Å; M113-G163 VanDerWaalsContact CE-C 3.46Å; M113-G163 WeakPolarHBondContact CE-O 3.48Å; M113-V164 HydrophobicContact CE-CG2 4.26Å; M113-V164 HydrophobicContact SD-CG2 3.85Å |
| 114 | C | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -42.5 | -179 | -58.1 | 0 | 0 | 0 | 0 | 114 | G116 L117 T118 I157 G163 | C114-G116 PolarHBondContact O-N 3.08Å; C114-G116 VanDerWaalsContact O-N 3.17Å; C114-L117 PolarHBondContact O-N 2.88Å; C114-T118 PolarHBondContact O-N 3.4Å; C114-T118 PolarHBondContact O-OG1 3.36Å; C114-I157 HydrophobicContact CB-CG2 4.03Å; C114-G163 PolarHBondContact N-O 2.98Å; C114-G163 PolarHBondContact SG-O 3.25Å |
| 115 | P | 95.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -27.8 | 177.1 | -27.3 | 37.2 | 0 | 0 | 0 | 114.8 | M113 L117 T118 S119 N161 | M113-P115 VanDerWaalsContact C-CD 3.48Å; M113-P115 VanDerWaalsContact C-N 3.32Å; P115-L117 PolarHBondContact O-N 3.44Å; P115-T118 WeakPolarHBondContact CA-OG1 3.46Å; P115-T118 PolarHBondContact O-OG1 3.03Å; P115-S119 WeakPolarHBondContact O-CB 3.36Å; P115-S119 PolarHBondContact O-N 3.2Å; P115-N161 WeakPolarHBondContact CA-OD1 3.39Å |
| 116 | G | 95.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.2 | -7.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V98 D99 M113 C114 A122 | V98-G116 WeakPolarHBondContact CA-O 3.43Å; D99-G116 PolarHBondContact N-O 2.97Å; M113-G116 PolarHBondContact O-N 3.37Å; C114-G116 PolarHBondContact O-N 3.08Å; C114-G116 VanDerWaalsContact O-N 3.17Å; G116-A122 WeakPolarHBondContact O-CB 3.41Å |
| 117 | L | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -110.5 | -7.2 | 177.6 | -69.4 | 167.8 | 0 | 0 | 0 | 113.1 | Q96 V98 I112 C114 P115 A122 L124 I157 V166 | Q96-L117 HydrophobicContact CB-CD2 4.02Å; V98-L117 HydrophobicContact CG1-CD2 3.86Å; I112-L117 HydrophobicContact CG2-CD1 3.64Å; I112-L117 HydrophobicContact CG2-CD2 3.95Å; I112-L117 HydrophobicContact CG2-CG 3.54Å; C114-L117 PolarHBondContact O-N 2.88Å; P115-L117 PolarHBondContact O-N 3.44Å; L117-A122 WeakPolarHBondContact O-CB 3.24Å; L117-L124 HydrophobicContact CB-CD1 4.09Å; L117-L124 HydrophobicContact CD1-CD1 4.17Å; L117-L124 HydrophobicContact CD2-CD1 4.25Å; L117-L124 HydrophobicContact CG-CD1 4.4Å; L117-I157 HydrophobicContact CB-CG2 3.97Å; L117-I157 HydrophobicContact CD1-CD1 3.96Å; L117-I157 HydrophobicContact CD1-CG2 4.19Å; L117-V166 HydrophobicContact CD1-CG2 3.97Å |
| 118 | T | 96.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 51 Ų | 51 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -120.9 | -2.5 | -175.7 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | C114 P115 I157 V158 N161 | C114-T118 PolarHBondContact O-N 3.4Å; C114-T118 PolarHBondContact O-OG1 3.36Å; P115-T118 WeakPolarHBondContact CA-OG1 3.46Å; P115-T118 PolarHBondContact O-OG1 3.03Å; T118-I157 HydrophobicContact CG2-CG2 4.02Å; T118-V158 HydrophobicContact CG2-CG2 4.36Å; T118-N161 PolarHBondContact OG1-OD1 3.23Å |
| 119 | S | 94.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -73.7 | 163 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | D99 P115 G121 A122 | D99-S119 VanDerWaalsContact CB-OG 3.24Å; D99-S119 WeakPolarHBondContact CB-OG 3.43Å; D99-S119 PolarHBondContact OD2-OG 3.17Å; P115-S119 WeakPolarHBondContact O-CB 3.36Å; P115-S119 PolarHBondContact O-N 3.2Å; S119-G121 PolarHBondContact O-N 3.49Å; S119-G121 VanDerWaalsContact O-N 3.09Å; S119-A122 WeakPolarHBondContact O-CB 3.47Å; S119-A122 PolarHBondContact O-N 3.45Å |
| 120 | P | 93.7 | Very high | 96.7 | Very high | 144 Ų | 144 | 53.3 Ų | 53.3 | 94% | 0.935 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24 | -175.3 | -27.7 | 36.1 | 0 | 0 | 0 | 116.2 | ||
| 121 | G | 93.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q97 S119 E139 | Q97-G121 PolarHBondContact NE2-O 2.8Å; S119-G121 PolarHBondContact O-N 3.49Å; S119-G121 VanDerWaalsContact O-N 3.09Å; G121-E139 WeakPolarHBondContact CA-OE2 3.46Å |
| 122 | A | 96.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | trans | -86.4 | 157.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q97 G116 L117 S119 | Q97-A122 VanDerWaalsContact O-CA 3.28Å; Q97-A122 WeakPolarHBondContact O-CA 3.44Å; Q97-A122 WeakPolarHBondContact O-CB 3.38Å; G116-A122 WeakPolarHBondContact O-CB 3.41Å; L117-A122 WeakPolarHBondContact O-CB 3.24Å; S119-A122 WeakPolarHBondContact O-CB 3.47Å; S119-A122 PolarHBondContact O-N 3.45Å | ||
| 123 | S | 96.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 49% | 0.49 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -140.9 | 111.1 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | Q97 | Q97-S123 PolarHBondContact N-O 2.74Å; Q97-S123 PolarHBondContact O-N 3.35Å |
| 124 | L | 96.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -98.9 | 118.7 | 179.5 | -172.6 | 78 | 0 | 0 | 0 | 109 | Q96 L117 S154 I157 V158 | Q96-L124 HydrophobicContact CG-CD1 4.47Å; Q96-L124 VanDerWaalsContact OE1-CA 3.29Å; L117-L124 HydrophobicContact CB-CD1 4.09Å; L117-L124 HydrophobicContact CD1-CD1 4.17Å; L117-L124 HydrophobicContact CD2-CD1 4.25Å; L117-L124 HydrophobicContact CG-CD1 4.4Å; L124-S154 VanDerWaalsContact CD2-O 3.3Å; L124-S154 WeakPolarHBondContact CD2-O 3.43Å; L124-I157 HydrophobicContact CD1-CD1 4.13Å; L124-I157 HydrophobicContact CD1-CG2 4.39Å; L124-I157 HydrophobicContact CD2-CB 4.04Å; L124-I157 HydrophobicContact CD2-CG2 3.88Å; L124-V158 HydrophobicContact CD2-CG2 3.67Å |
| 125 | L | 97.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 123.7 | 174.1 | -171.1 | 66.8 | 0 | 0 | 0 | 108.8 | P94 I128 S154 | P94-L125 HydrophobicContact CB-CD2 3.59Å; L125-I128 HydrophobicContact CB-CG1 4.13Å; L125-I128 HydrophobicContact CD2-CD1 3.77Å; L125-I128 HydrophobicContact CD2-CG1 4.03Å; L125-I128 HydrophobicContact CG-CD1 4.19Å; L125-I128 HydrophobicContact CG-CG1 4.12Å; L125-S154 VanDerWaalsContact O-CB 3.28Å; L125-S154 WeakPolarHBondContact O-CB 3.3Å; L125-S154 PolarHBondContact O-OG 3Å |
| 126 | P | 97 | Very high | 97 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 165.2 | 178.8 | 27.2 | -36.6 | 0 | 0 | 0 | 112.3 | I128 | P126-I128 PolarHBondContact O-N 3.48Š|
| 127 | D | 96.5 | Very high | 97.1 | Very high | 150 Ų | 150 | 46 Ų | 46 | 80% | 0.802 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 22.9 | 171.2 | -52.5 | -42.8 | 0 | 0 | 0 | 116.3 | P129 | D127-P129 WeakPolarHBondContact O-CD 3.5Š|
| 128 | I | 98.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 118.1 | 172 | -53.5 | -53.8 | 0 | 0 | 0 | 109.6 | P94 L125 P126 T132 V134 M150 S153 S154 | P94-I128 HydrophobicContact CB-CD1 4.15Å; P94-I128 HydrophobicContact CG-CD1 4.46Å; L125-I128 HydrophobicContact CB-CG1 4.13Å; L125-I128 HydrophobicContact CD2-CD1 3.77Å; L125-I128 HydrophobicContact CD2-CG1 4.03Å; L125-I128 HydrophobicContact CG-CD1 4.19Å; L125-I128 HydrophobicContact CG-CG1 4.12Å; P126-I128 PolarHBondContact O-N 3.48Å; I128-T132 HydrophobicContact CG2-CG2 3.71Å; I128-V134 HydrophobicContact CG2-CG1 4.23Å; I128-M150 HydrophobicContact CB-CE 4.23Å; I128-M150 HydrophobicContact CG2-CE 4.1Å; I128-M150 HydrophobicContact CG2-CG 3.79Å; I128-M150 HydrophobicContact CG2-SD 4.32Å; I128-S153 CarbonylContact O-C 3.53Å; I128-S153 VanDerWaalsContact O-CA 3.3Å; I128-S153 WeakPolarHBondContact O-CA 3.28Å; I128-S154 WeakPolarHBondContact CB-OG 3.44Å; I128-S154 PolarHBondContact O-N 2.92Å |
| 129 | P | 98.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 161.8 | -179.6 | 29 | -31.9 | 0 | 0 | 0 | 112.1 | D127 T132 M150 | D127-P129 WeakPolarHBondContact O-CD 3.5Å; P129-T132 WeakPolarHBondContact CD-OG1 3.27Å; P129-T132 WeakPolarHBondContact CG-OG1 3.35Å; P129-T132 PolarHBondContact O-N 3.42Å; P129-T132 PolarHBondContact O-OG1 2.72Å; P129-M150 WeakPolarHBondContact O-CB 3.48Å |
| 130 | A | 98.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 146 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T132 | A130-T132 VanDerWaalsContact C-N 3.33Š|
| 131 | G | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 47 Ų | 47 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -16.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q149 M150 | G131-Q149 WeakPolarHBondContact O-CG 3.36Å; G131-Q149 PolarHBondContact O-NE2 2.92Å; G131-M150 PolarHBondContact N-O 3.03Å |
| 132 | T | 98 | Very high | 97 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | trans | -65.6 | 137.4 | 177.4 | -62 | 0 | 0 | 0 | 0 | 111.7 | P94 I128 P129 A130 V134 Q149 M150 | P94-T132 HydrophobicContact CG-CG2 3.97Å; I128-T132 HydrophobicContact CG2-CG2 3.71Å; P129-T132 WeakPolarHBondContact CD-OG1 3.27Å; P129-T132 WeakPolarHBondContact CG-OG1 3.35Å; P129-T132 PolarHBondContact O-N 3.42Å; P129-T132 PolarHBondContact O-OG1 2.72Å; A130-T132 VanDerWaalsContact C-N 3.33Å; T132-V134 HydrophobicContact CG2-CG1 4.32Å; T132-Q149 WeakPolarHBondContact O-CA 3.44Å; T132-M150 WeakPolarHBondContact O-CG 3.38Å; T132-M150 PolarHBondContact O-N 3.28Å | ||
| 133 | I | 98.2 | Very high | 97 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.2 | 171.6 | -53.5 | -61.1 | 0 | 0 | 0 | 109.2 | L80 L93 I147 G148 Q149 I169 | L80-I133 HydrophobicContact CD1-CD1 4.4Å; L80-I133 HydrophobicContact CD2-CB 4.41Å; L80-I133 HydrophobicContact CD2-CD1 4.25Å; L80-I133 HydrophobicContact CD2-CG1 3.8Å; L80-I133 HydrophobicContact CD2-CG2 4.06Å; L93-I133 HydrophobicContact CD1-CG2 3.97Å; L93-I133 HydrophobicContact CD2-CB 4.09Å; L93-I133 HydrophobicContact CD2-CG2 3.78Å; I133-I147 HydrophobicContact CG2-CG2 3.66Å; I133-G148 CarbonylContact C-O 3.24Å; I133-G148 WeakPolarHBondContact CA-O 3.46Å; I133-Q149 HydrophobicContact CD1-CB 3.92Å; I133-Q149 HydrophobicContact CD1-CG 4.09Å; I133-I169 HydrophobicContact CD1-CD1 3.94Å |
| 134 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152 | -174.3 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | P94 Q96 I128 T132 I136 I147 G148 M150 V166 | P94-V134 HydrophobicContact CG-CG1 4.08Å; P94-V134 CarbonylContact O-C 3.6Å; P94-V134 VanDerWaalsContact O-CA 3.27Å; P94-V134 WeakPolarHBondContact O-CA 3.24Å; P94-V134 WeakPolarHBondContact O-CB 3.49Å; Q96-V134 HydrophobicContact CG-CB 3.99Å; Q96-V134 HydrophobicContact CG-CG1 3.94Å; Q96-V134 HydrophobicContact CG-CG2 4.17Å; I128-V134 HydrophobicContact CG2-CG1 4.23Å; T132-V134 HydrophobicContact CG2-CG1 4.32Å; V134-I136 HydrophobicContact CG2-CD1 4.04Å; V134-I147 WeakPolarHBondContact O-CA 3.38Å; V134-G148 WeakPolarHBondContact CG2-O 3.47Å; V134-G148 PolarHBondContact N-O 2.85Å; V134-G148 PolarHBondContact O-N 2.89Å; V134-M150 HydrophobicContact CG1-CG 3.69Å; V134-M150 HydrophobicContact CG1-SD 3.76Å; V134-M150 HydrophobicContact CG2-CG 4.36Å; V134-M150 HydrophobicContact CG2-SD 4.05Å; V134-V166 HydrophobicContact CG2-CG1 3.72Å; V134-V166 HydrophobicContact CG2-CG2 4.37Å |
| 135 | A | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L86 L93 P94 A95 Q96 A144 | L86-A135 HydrophobicContact CD2-CB 3.82Å; L93-A135 HydrophobicContact CB-CB 4.13Å; P94-A135 PolarHBondContact O-N 3.14Å; A95-A135 CarbonylContact C-O 3.44Å; A95-A135 WeakPolarHBondContact CA-O 3.45Å; A95-A135 HydrophobicContact CB-CB 4.43Å; Q96-A135 PolarHBondContact N-O 3.13Å; A135-A144 HydrophobicContact CB-CB 4.19Å |
| 136 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.2 | 171.2 | -58.1 | -56.6 | 0 | 0 | 0 | 108.4 | Q96 V98 V106 I112 V134 A144 L145 A146 V166 | Q96-I136 HydrophobicContact CB-CD1 4.17Å; Q96-I136 WeakPolarHBondContact O-CA 3.45Å; V98-I136 HydrophobicContact CG1-CG2 3.97Å; V98-I136 HydrophobicContact CG2-CG2 4.27Å; V106-I136 HydrophobicContact CG1-CG2 4.08Å; V106-I136 HydrophobicContact CG2-CG2 4.36Å; I112-I136 HydrophobicContact CD1-CD1 4.18Å; I112-I136 HydrophobicContact CD1-CG1 3.96Å; I112-I136 HydrophobicContact CD1-CG2 4.48Å; I112-I136 HydrophobicContact CG1-CD1 4.2Å; I112-I136 HydrophobicContact CG1-CG1 4.36Å; I112-I136 HydrophobicContact CG1-CG2 4.29Å; V134-I136 HydrophobicContact CG2-CD1 4.04Å; I136-A144 CarbonylContact O-C 3.49Å; I136-A144 WeakPolarHBondContact O-CA 3.45Å; I136-L145 PolarHBondContact O-N 3.1Å; I136-A146 HydrophobicContact CB-CB 4.06Å; I136-A146 HydrophobicContact CG1-CB 4.27Å; I136-A146 PolarHBondContact N-O 3.2Å; I136-A146 PolarHBondContact O-N 2.87Å; I136-V166 HydrophobicContact CD1-CB 4.38Å; I136-V166 HydrophobicContact CD1-CG1 4.08Å; I136-V166 HydrophobicContact CD1-CG2 4.4Å |
| 137 | T | 98.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 173.1 | 173.4 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | A95 Q96 Q97 V98 A144 | A95-T137 HydrophobicContact CB-CG2 4.05Å; Q96-T137 PolarHBondContact O-N 3.43Å; Q97-T137 WeakPolarHBondContact CA-O 3.48Å; Q97-T137 WeakPolarHBondContact CA-OG1 3.47Å; Q97-T137 WeakPolarHBondContact CB-OG1 3.4Å; V98-T137 WeakPolarHBondContact CG2-O 3.28Å; V98-T137 PolarHBondContact N-O 2.95Å; T137-A144 HydrophobicContact CG2-CB 4.49Å |
| 138 | A | 96.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V98 I103 G140 K141 L145 | V98-A138 HydrophobicContact CG2-CB 4.03Å; V98-A138 WeakPolarHBondContact O-CA 3.36Å; I103-A138 HydrophobicContact CD1-CB 3.73Å; I103-A138 HydrophobicContact CG1-CB 3.57Å; A138-G140 PolarHBondContact O-N 2.89Å; A138-K141 HydrophobicContact CB-CB 4.41Å; A138-K141 HydrophobicContact CB-CG 4.15Å; A138-K141 PolarHBondContact O-N 2.87Å; A138-L145 HydrophobicContact CB-CD1 3.55Å; A138-L145 HydrophobicContact CB-CG 4.31Å |
| 139 | E | 93.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 123.8 | 176 | -166.7 | -158.5 | 152.9 | 0 | 0 | 111.2 | V98 K100 G121 | V98-E139 PolarHBondContact O-N 3.18Å; K100-E139 VanDerWaalsContact CE-CD 3.42Å; K100-E139 VanDerWaalsContact CE-OE1 3.28Å; K100-E139 WeakPolarHBondContact CE-OE1 3.45Å; K100-E139 HydrophobicContact CG-CB 4.1Å; K100-E139 WeakPolarHBondContact CG-OE2 3.35Å; K100-E139 VanDerWaalsContact NZ-CD 3.33Å; K100-E139 IonicContact NZ-OE1 2.67Å; K100-E139 PolarHBondContact NZ-OE1 3Å; K100-E139 IonicContact NZ-OE2 3.65Å; G121-E139 WeakPolarHBondContact CA-OE2 3.46Å |
| 140 | G | 93.2 | Very high | 97.4 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 70% | 0.701 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 16.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A138 | A138-G140 PolarHBondContact O-N 2.89Š|
| 141 | K | 95.1 | Very high | 97.4 | Very high | 118 Ų | 118 | 41.3 Ų | 41.3 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | trans | -122.6 | 136.9 | 172.7 | -56.3 | -62.2 | 172.4 | -168 | 0 | 110.5 | I103 A138 | I103-K141 HydrophobicContact CD1-CG 4.39Å; A138-K141 HydrophobicContact CB-CB 4.41Å; A138-K141 HydrophobicContact CB-CG 4.15Å; A138-K141 PolarHBondContact O-N 2.87Å | ||
| 142 | H | 94.5 | Very high | 97.5 | Very high | 184 Ų | 184 | 41.5 Ų | 41.5 | 85% | 0.852 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -81 | -36.9 | -179.3 | -61.9 | -66.6 | 0 | 0 | 0 | 113.2 | ||
| 143 | H | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -101.6 | 149.6 | -173.4 | -64.7 | 156.1 | 0 | 0 | 0 | 112.3 | H87 L145 | H87-H143 AromaticContact CG-CG 3.89Å; H87-H143 AromaticContact ND1-CG 3.84Å; H87-H143 AromaticContact ND1-ND1 3.81Å; H143-L145 PolarHBondContact O-N 2.84Å |
| 144 | A | 98.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | trans | -60.1 | 134.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L83 L86 H87 A135 I136 T137 | L83-A144 HydrophobicContact CD2-CB 3.97Å; L86-A144 HydrophobicContact CD2-CB 3.92Å; H87-A144 PolarHBondContact NE2-O 2.85Å; A135-A144 HydrophobicContact CB-CB 4.19Å; I136-A144 CarbonylContact O-C 3.49Å; I136-A144 WeakPolarHBondContact O-CA 3.45Å; T137-A144 HydrophobicContact CG2-CB 4.49Å | ||
| 145 | L | 98.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -85.4 | -30.8 | 176.9 | -56.4 | -175.5 | 0 | 0 | 0 | 112.2 | I103 V106 L107 I136 A138 H143 Y171 L172 | I103-L145 HydrophobicContact CB-CD1 4.32Å; I103-L145 HydrophobicContact CG1-CD1 4.08Å; I103-L145 HydrophobicContact CG2-CD1 3.97Å; V106-L145 HydrophobicContact CG1-CB 3.88Å; L107-L145 HydrophobicContact CD2-CB 4.3Å; L107-L145 HydrophobicContact CD2-CD2 4.33Å; I136-L145 PolarHBondContact O-N 3.1Å; A138-L145 HydrophobicContact CB-CD1 3.55Å; A138-L145 HydrophobicContact CB-CG 4.31Å; H143-L145 PolarHBondContact O-N 2.84Å; L145-Y171 WeakPolarHBondContact O-CA 3.42Å; L145-L172 HydrophobicContact CD2-CD1 4.02Å; L145-L172 WeakPolarHBondContact O-CG 3.3Å; L145-L172 PolarHBondContact O-N 3.27Å |
| 146 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 167.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V106 I136 H170 | V106-A146 HydrophobicContact CG1-CB 3.65Å; I136-A146 HydrophobicContact CB-CB 4.06Å; I136-A146 HydrophobicContact CG1-CB 4.27Å; I136-A146 PolarHBondContact N-O 3.2Å; I136-A146 PolarHBondContact O-N 2.87Å; A146-H170 CarbonylContact C-O 3.57Å; A146-H170 WeakPolarHBondContact CA-O 3.21Å; A146-H170 WeakPolarHBondContact CB-O 3.33Å |
| 147 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.4 | 164.6 | -62.7 | 175.8 | 0 | 0 | 0 | 106.4 | F72 P81 L83 L86 L93 I133 V134 I169 H170 | F72-I147 HydrophobicContact CE1-CD1 4.5Å; P81-I147 HydrophobicContact CG-CD1 4.34Å; P81-I147 WeakPolarHBondContact O-CD1 3.33Å; L83-I147 HydrophobicContact CD2-CD1 4.46Å; L83-I147 HydrophobicContact CD2-CG1 3.97Å; L83-I147 HydrophobicContact CG-CD1 4.42Å; L83-I147 HydrophobicContact CG-CG1 4.3Å; L86-I147 HydrophobicContact CD2-CD1 4.11Å; L86-I147 HydrophobicContact CD2-CG1 3.86Å; L93-I147 HydrophobicContact CD1-CD1 4.31Å; L93-I147 HydrophobicContact CD1-CG1 4.21Å; L93-I147 HydrophobicContact CD1-CG2 4.06Å; I133-I147 HydrophobicContact CG2-CG2 3.66Å; V134-I147 WeakPolarHBondContact O-CA 3.38Å; I147-I169 WeakPolarHBondContact O-CB 3.28Å; I147-I169 PolarHBondContact O-N 3.27Å; I147-H170 PolarHBondContact N-O 3.2Å; I147-H170 PolarHBondContact O-N 2.94Å |
| 148 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I133 V134 E167 | I133-G148 CarbonylContact C-O 3.24Å; I133-G148 WeakPolarHBondContact CA-O 3.46Å; V134-G148 WeakPolarHBondContact CG2-O 3.47Å; V134-G148 PolarHBondContact N-O 2.85Å; V134-G148 PolarHBondContact O-N 2.89Å; G148-E167 CarbonylContact C-O 3.43Å; G148-E167 WeakPolarHBondContact CA-O 3.47Å |
| 149 | Q | 98.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.9 | 173.8 | -177.3 | 173.6 | 51.6 | 0 | 0 | 110.1 | G131 T132 I133 K151 V166 E167 I169 | G131-Q149 WeakPolarHBondContact O-CG 3.36Å; G131-Q149 PolarHBondContact O-NE2 2.92Å; T132-Q149 WeakPolarHBondContact O-CA 3.44Å; I133-Q149 HydrophobicContact CD1-CB 3.92Å; I133-Q149 HydrophobicContact CD1-CG 4.09Å; Q149-K151 PolarHBondContact O-N 2.86Å; Q149-V166 WeakPolarHBondContact O-CA 3.45Å; Q149-V166 WeakPolarHBondContact O-CG1 3.43Å; Q149-E167 PolarHBondContact N-O 2.77Å; Q149-E167 PolarHBondContact O-N 2.8Å; Q149-I169 HydrophobicContact CB-CD1 3.99Å |
| 150 | M | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 120.5 | 175.2 | -62 | -68.3 | -73.2 | 0 | 0 | 109.5 | Q96 I128 P129 G131 T132 V134 L152 I157 V166 | Q96-M150 HydrophobicContact CG-SD 4.09Å; I128-M150 HydrophobicContact CB-CE 4.23Å; I128-M150 HydrophobicContact CG2-CE 4.1Å; I128-M150 HydrophobicContact CG2-CG 3.79Å; I128-M150 HydrophobicContact CG2-SD 4.32Å; P129-M150 WeakPolarHBondContact O-CB 3.48Å; G131-M150 PolarHBondContact N-O 3.03Å; T132-M150 WeakPolarHBondContact O-CG 3.38Å; T132-M150 PolarHBondContact O-N 3.28Å; V134-M150 HydrophobicContact CG1-CG 3.69Å; V134-M150 HydrophobicContact CG1-SD 3.76Å; V134-M150 HydrophobicContact CG2-CG 4.36Å; V134-M150 HydrophobicContact CG2-SD 4.05Å; M150-L152 WeakPolarHBondContact CE-O 3.46Å; M150-I157 HydrophobicContact CE-CD1 3.59Å; M150-V166 HydrophobicContact SD-CG2 3.56Å; M150-V166 VanDerWaalsContact SD-CG2 3.56Å |
| 151 | K | 98.5 | Very high | 97.8 | Very high | 100 Ų | 100 | 58 Ų | 58 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -87.8 | -28.6 | 171.7 | -74.3 | -55.4 | -142.3 | -160.3 | 0 | 112 | Q149 V164 G165 E167 | Q149-K151 PolarHBondContact O-N 2.86Å; K151-V164 HydrophobicContact CB-CG1 4.47Å; K151-V164 WeakPolarHBondContact CB-O 3.38Å; K151-V164 HydrophobicContact CG-CG1 4Å; K151-G165 PolarHBondContact N-O 2.96Å; K151-E167 HydrophobicContact CD-CB 4.16Å; K151-E167 WeakPolarHBondContact CE-OE2 3.35Å; K151-E167 HydrophobicContact CG-CB 3.94Å; K151-E167 IonicContact NZ-OE1 2.72Å; K151-E167 IonicContact NZ-OE2 3.16Å; K151-E167 PolarHBondContact NZ-OE2 3.44Å |
| 152 | L | 98.4 | Very high | 98 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -124.2 | 155.5 | 174.9 | -66.8 | 177.4 | 0 | 0 | 0 | 108.7 | M150 D156 I157 I160 G165 | M150-L152 WeakPolarHBondContact CE-O 3.46Å; L152-D156 HydrophobicContact CB-CB 4.09Å; L152-D156 HydrophobicContact CD2-CB 4.46Å; L152-I157 HydrophobicContact CB-CD1 4.45Å; L152-I157 HydrophobicContact CB-CG1 3.72Å; L152-I157 HydrophobicContact CD1-CG1 4.48Å; L152-I160 HydrophobicContact CD1-CD1 4.35Å; L152-I160 HydrophobicContact CD2-CD1 4.47Å; L152-G165 PolarHBondContact N-O 3.5Å |
| 153 | S | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | trans | -66.4 | 158.8 | 170.2 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | I128 A155 D156 I157 | I128-S153 CarbonylContact O-C 3.53Å; I128-S153 VanDerWaalsContact O-CA 3.3Å; I128-S153 WeakPolarHBondContact O-CA 3.28Å; S153-A155 PolarHBondContact O-N 2.63Å; S153-D156 PolarHBondContact O-N 2.77Å; S153-D156 VanDerWaalsContact O-N 3.09Å; S153-D156 WeakPolarHBondContact OG-CB 3.44Å; S153-D156 PolarHBondContact OG-N 3.34Å; S153-D156 PolarHBondContact OG-OD2 3.42Å; S153-I157 WeakPolarHBondContact O-CG1 3.49Å; S153-I157 PolarHBondContact O-N 3.45Å | ||
| 154 | S | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.3 | -39.3 | 174.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | L124 L125 I128 I157 V158 | L124-S154 VanDerWaalsContact CD2-O 3.3Å; L124-S154 WeakPolarHBondContact CD2-O 3.43Å; L125-S154 VanDerWaalsContact O-CB 3.28Å; L125-S154 WeakPolarHBondContact O-CB 3.3Å; L125-S154 PolarHBondContact O-OG 3Å; I128-S154 WeakPolarHBondContact CB-OG 3.44Å; I128-S154 PolarHBondContact O-N 2.92Å; S154-I157 PolarHBondContact O-N 3.13Å; S154-V158 WeakPolarHBondContact O-CG2 3.38Å; S154-V158 PolarHBondContact O-N 2.89Å |
| 155 | A | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S153 V158 K159 | S153-A155 PolarHBondContact O-N 2.63Å; A155-V158 PolarHBondContact O-N 3.05Å; A155-K159 VanDerWaalsContact O-CB 3.29Å; A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 PolarHBondContact O-N 3.2Å |
| 156 | D | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 178.2 | -68.3 | -42 | 0 | 0 | 0 | 112.3 | L152 S153 V158 K159 I160 | L152-D156 HydrophobicContact CB-CB 4.09Å; L152-D156 HydrophobicContact CD2-CB 4.46Å; S153-D156 PolarHBondContact O-N 2.77Å; S153-D156 VanDerWaalsContact O-N 3.09Å; S153-D156 WeakPolarHBondContact OG-CB 3.44Å; S153-D156 PolarHBondContact OG-N 3.34Å; S153-D156 PolarHBondContact OG-OD2 3.42Å; D156-V158 VanDerWaalsContact C-N 3.31Å; D156-V158 PolarHBondContact O-N 2.83Å; D156-K159 PolarHBondContact O-N 2.88Å; D156-I160 HydrophobicContact CB-CD1 4.02Å; D156-I160 WeakPolarHBondContact O-CB 3.39Å; D156-I160 WeakPolarHBondContact O-CG1 3.41Å; D156-I160 PolarHBondContact O-N 3.43Å |
| 157 | I | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.6 | -70.9 | 171.3 | 0 | 0 | 0 | 110.2 | C114 L117 T118 L124 M150 L152 S153 S154 N161 | C114-I157 HydrophobicContact CB-CG2 4.03Å; L117-I157 HydrophobicContact CB-CG2 3.97Å; L117-I157 HydrophobicContact CD1-CD1 3.96Å; L117-I157 HydrophobicContact CD1-CG2 4.19Å; T118-I157 HydrophobicContact CG2-CG2 4.02Å; L124-I157 HydrophobicContact CD1-CD1 4.13Å; L124-I157 HydrophobicContact CD1-CG2 4.39Å; L124-I157 HydrophobicContact CD2-CB 4.04Å; L124-I157 HydrophobicContact CD2-CG2 3.88Å; M150-I157 HydrophobicContact CE-CD1 3.59Å; L152-I157 HydrophobicContact CB-CD1 4.45Å; L152-I157 HydrophobicContact CB-CG1 3.72Å; L152-I157 HydrophobicContact CD1-CG1 4.48Å; S153-I157 WeakPolarHBondContact O-CG1 3.49Å; S153-I157 PolarHBondContact O-N 3.45Å; S154-I157 PolarHBondContact O-N 3.13Å; I157-N161 VanDerWaalsContact O-CA 3.24Å; I157-N161 WeakPolarHBondContact O-CA 3.24Å; I157-N161 PolarHBondContact O-N 3.23Å |
| 158 | V | 97.7 | Very high | 98.1 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.7 | -46.1 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | T118 L124 S154 A155 D156 | T118-V158 HydrophobicContact CG2-CG2 4.36Å; L124-V158 HydrophobicContact CD2-CG2 3.67Å; S154-V158 WeakPolarHBondContact O-CG2 3.38Å; S154-V158 PolarHBondContact O-N 2.89Å; A155-V158 PolarHBondContact O-N 3.05Å; D156-V158 VanDerWaalsContact C-N 3.31Å; D156-V158 PolarHBondContact O-N 2.83Å |
| 159 | K | 97.7 | Very high | 98.1 | Very high | 173 Ų | 173 | 53.6 Ų | 53.6 | 75% | 0.752 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.2 | -46.9 | -175.3 | -178.7 | -178.7 | 177 | -177.2 | 0 | 113.3 | A155 D156 | A155-K159 VanDerWaalsContact O-CB 3.29Å; A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 PolarHBondContact O-N 3.2Å; D156-K159 PolarHBondContact O-N 2.88Å |
| 160 | I | 97.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 50.6 Ų | 50.6 | 46% | 0.462 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -83 | -40.5 | -175.4 | -59.8 | 174.1 | 0 | 0 | 0 | 110.2 | L152 D156 K162 | L152-I160 HydrophobicContact CD1-CD1 4.35Å; L152-I160 HydrophobicContact CD2-CD1 4.47Å; D156-I160 HydrophobicContact CB-CD1 4.02Å; D156-I160 WeakPolarHBondContact O-CB 3.39Å; D156-I160 WeakPolarHBondContact O-CG1 3.41Å; D156-I160 PolarHBondContact O-N 3.43Å; I160-K162 HydrophobicContact CG2-CB 4.16Å; I160-K162 PolarHBondContact O-N 3.23Å |
| 161 | N | 96.8 | Very high | 98.1 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | trans | 47.8 | 33.1 | -179 | -159.1 | 23.9 | 0 | 0 | 0 | 115.1 | P115 T118 I157 | P115-N161 WeakPolarHBondContact CA-OD1 3.39Å; T118-N161 PolarHBondContact OG1-OD1 3.23Å; I157-N161 VanDerWaalsContact O-CA 3.24Å; I157-N161 WeakPolarHBondContact O-CA 3.24Å; I157-N161 PolarHBondContact O-N 3.23Å | ||
| 162 | K | 97.8 | Very high | 98.1 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 71% | 0.713 | 26% | 0.258 | S | S | * | . | trans | -149.8 | 144.2 | -177.9 | -175.4 | 178.1 | 178.1 | -179.7 | 0 | 110.5 | I160 | I160-K162 HydrophobicContact CG2-CB 4.16Å; I160-K162 PolarHBondContact O-N 3.23Å | ||
| 163 | G | 97.6 | Very high | 97.9 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 88 | -167.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M113 C114 G165 | M113-G163 CarbonylContact C-O 3.5Å; M113-G163 VanDerWaalsContact CA-O 3.3Å; M113-G163 WeakPolarHBondContact CA-O 3.42Å; M113-G163 VanDerWaalsContact CE-C 3.46Å; M113-G163 WeakPolarHBondContact CE-O 3.48Å; C114-G163 PolarHBondContact N-O 2.98Å; C114-G163 PolarHBondContact SG-O 3.25Å; G163-G165 PolarHBondContact O-N 2.67Å |
| 164 | V | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116.2 | -179.3 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | H111 M113 K151 | H111-V164 HydrophobicContact CB-CG1 3.72Å; H111-V164 HydrophobicContact CB-CG2 4.2Å; M113-V164 HydrophobicContact CE-CG2 4.26Å; M113-V164 HydrophobicContact SD-CG2 3.85Å; K151-V164 HydrophobicContact CB-CG1 4.47Å; K151-V164 WeakPolarHBondContact CB-O 3.38Å; K151-V164 HydrophobicContact CG-CG1 4Å |
| 165 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -40.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I112 K151 L152 G163 | I112-G165 PolarHBondContact O-N 3.16Å; K151-G165 PolarHBondContact N-O 2.96Å; L152-G165 PolarHBondContact N-O 3.5Å; G163-G165 PolarHBondContact O-N 2.67Å |
| 166 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.4 | 178.3 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | I112 L117 V134 I136 Q149 M150 | I112-V166 HydrophobicContact CB-CB 4.07Å; I112-V166 HydrophobicContact CD1-CB 4.36Å; I112-V166 PolarHBondContact N-O 3.42Å; I112-V166 PolarHBondContact O-N 3.47Å; I112-V166 VanDerWaalsContact O-N 3.1Å; L117-V166 HydrophobicContact CD1-CG2 3.97Å; V134-V166 HydrophobicContact CG2-CG1 3.72Å; V134-V166 HydrophobicContact CG2-CG2 4.37Å; I136-V166 HydrophobicContact CD1-CB 4.38Å; I136-V166 HydrophobicContact CD1-CG1 4.08Å; I136-V166 HydrophobicContact CD1-CG2 4.4Å; Q149-V166 WeakPolarHBondContact O-CA 3.45Å; Q149-V166 WeakPolarHBondContact O-CG1 3.43Å; M150-V166 HydrophobicContact SD-CG2 3.56Å; M150-V166 VanDerWaalsContact SD-CG2 3.56Å |
| 167 | E | 98.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.8 | 172.2 | -178.8 | 171.2 | -145 | 0 | 0 | 110.5 | G148 Q149 K151 | G148-E167 CarbonylContact C-O 3.43Å; G148-E167 WeakPolarHBondContact CA-O 3.47Å; Q149-E167 PolarHBondContact N-O 2.77Å; Q149-E167 PolarHBondContact O-N 2.8Å; K151-E167 HydrophobicContact CD-CB 4.16Å; K151-E167 WeakPolarHBondContact CE-OE2 3.35Å; K151-E167 HydrophobicContact CG-CB 3.94Å; K151-E167 IonicContact NZ-OE1 2.72Å; K151-E167 IonicContact NZ-OE2 3.16Å; K151-E167 PolarHBondContact NZ-OE2 3.44Å |
| 168 | S | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.4 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | A110 H111 | A110-S168 VanDerWaalsContact O-CB 3.29Å; A110-S168 WeakPolarHBondContact O-CB 3.37Å; H111-S168 PolarHBondContact ND1-N 3.18Å |
| 169 | I | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -56.8 | -179.4 | -65.7 | 171.4 | 0 | 0 | 0 | 110.6 | M1 F72 L80 I133 I147 Q149 | M1-I169 WeakPolarHBondContact CA-O 3.49Å; M1-I169 HydrophobicContact CB-CG2 4.17Å; M1-I169 WeakPolarHBondContact CB-O 3.24Å; M1-I169 HydrophobicContact CE-CG2 3.96Å; M1-I169 PolarHBondContact N-O 3.17Å; M1-I169 HydrophobicContact SD-CG2 4.33Å; F72-I169 HydrophobicContact CE2-CG2 3.8Å; F72-I169 HydrophobicContact CZ-CG2 3.97Å; L80-I169 HydrophobicContact CD1-CD1 4.03Å; L80-I169 HydrophobicContact CD1-CG2 4.17Å; I133-I169 HydrophobicContact CD1-CD1 3.94Å; I147-I169 WeakPolarHBondContact O-CB 3.28Å; I147-I169 PolarHBondContact O-N 3.27Å; Q149-I169 HydrophobicContact CB-CD1 3.99Å |
| 170 | H | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.3 | -175.6 | 170.3 | 41.3 | 0 | 0 | 0 | 108.4 | F2 F72 L83 A146 I147 D174 | F2-H170 HydrophobicContact CD2-CB 4.06Å; F2-H170 HydrophobicContact CE2-CB 4.35Å; F72-H170 HydrophobicContact CE1-CB 4.23Å; F72-H170 AromaticContact CE1-CD2 3.98Å; F72-H170 HydrophobicContact CZ-CB 3.86Å; L83-H170 PolarHBondContact N-NE2 3.32Å; A146-H170 CarbonylContact C-O 3.57Å; A146-H170 WeakPolarHBondContact CA-O 3.21Å; A146-H170 WeakPolarHBondContact CB-O 3.33Å; I147-H170 PolarHBondContact N-O 3.2Å; I147-H170 PolarHBondContact O-N 2.94Å; H170-D174 WeakPolarHBondContact CA-OD2 3.4Å; H170-D174 IonicContact CE1-OD1 2.87Å; H170-D174 PolarHBondContact CE1-OD1 3.05Å; H170-D174 IonicContact CE1-OD2 2.63Å; H170-D174 IonicContact CG-OD2 3.15Å; H170-D174 IonicContact ND1-OD1 3.46Å; H170-D174 PolarHBondContact ND1-OD1 2.88Å; H170-D174 IonicContact ND1-OD2 2.97Å; H170-D174 PolarHBondContact ND1-OD2 2.89Å |
| 171 | Y | 98.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 48 Ų | 48 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.3 | -176.2 | 62.6 | -84.5 | 0 | 0 | 0 | 111.8 | K3 L107 G109 L145 N173 D174 | K3-Y171 HydrophobicContact CB-CE1 4.21Å; K3-Y171 WeakPolarHBondContact CB-OH 3.32Å; K3-Y171 VanDerWaalsContact CG-OH 3.29Å; K3-Y171 WeakPolarHBondContact CG-OH 3.5Å; L107-Y171 WeakPolarHBondContact O-CD2 3.29Å; L107-Y171 VanDerWaalsContact O-CE2 3.25Å; L107-Y171 WeakPolarHBondContact O-CE2 3.34Å; G109-Y171 VanDerWaalsContact CA-CD1 3.49Å; L145-Y171 WeakPolarHBondContact O-CA 3.42Å; Y171-N173 PolarHBondContact O-N 2.95Å; Y171-D174 HydrophobicContact CD1-CB 3.86Å; Y171-D174 HydrophobicContact CD2-CB 4.03Å; Y171-D174 HydrophobicContact CE1-CB 3.54Å; Y171-D174 HydrophobicContact CE2-CB 3.7Å; Y171-D174 HydrophobicContact CG-CB 4.09Å; Y171-D174 VanDerWaalsContact CZ-CB 3.44Å; Y171-D174 PolarHBondContact N-OD2 3.36Å; Y171-D174 WeakPolarHBondContact O-CB 3.45Å; Y171-D174 PolarHBondContact O-N 3.38Å; Y171-D174 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 97.6 | Very high | 96 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 137.7 | 177.2 | -66.6 | 177.5 | 0 | 0 | 0 | 110.4 | L83 L107 L145 D174 W177 | L83-L172 HydrophobicContact CB-CD2 4.21Å; L83-L172 HydrophobicContact CD1-CD2 3.84Å; L83-L172 HydrophobicContact CD1-CG 4.05Å; L83-L172 VanDerWaalsContact CD1-N 3.31Å; L107-L172 HydrophobicContact CD2-CB 3.71Å; L107-L172 HydrophobicContact CD2-CD1 4.28Å; L107-L172 HydrophobicContact CD2-CG 4.44Å; L145-L172 HydrophobicContact CD2-CD1 4.02Å; L145-L172 WeakPolarHBondContact O-CG 3.3Å; L145-L172 PolarHBondContact O-N 3.27Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 PolarHBondContact O-N 2.95Å; L172-W177 HydrophobicContact CD2-CD2 3.76Å; L172-W177 HydrophobicContact CD2-CE3 3.45Å; L172-W177 VanDerWaalsContact CD2-CE3 3.45Å; L172-W177 HydrophobicContact CD2-CH2 3.47Å; L172-W177 VanDerWaalsContact CD2-CH2 3.47Å; L172-W177 HydrophobicContact CD2-CZ2 3.79Å; L172-W177 HydrophobicContact CD2-CZ3 3.29Å |
| 173 | N | 94.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 11.2 | -175.8 | -55.9 | -31.6 | 0 | 0 | 0 | 116.1 | Y171 W177 Q178 | Y171-N173 PolarHBondContact O-N 2.95Å; N173-W177 VanDerWaalsContact N-CG 3.32Å; N173-W177 PolarHBondContact OD1-NE1 2.72Å; N173-Q178 PolarHBondContact O-NE2 3.06Å |
| 174 | D | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -73.2 | 177.9 | 164.2 | 77.6 | 13 | 0 | 0 | 0 | 112.4 | F2 H170 Y171 L172 L176 W177 Q178 | F2-D174 HydrophobicContact CB-CB 4.32Å; H170-D174 WeakPolarHBondContact CA-OD2 3.4Å; H170-D174 IonicContact CE1-OD1 2.87Å; H170-D174 PolarHBondContact CE1-OD1 3.05Å; H170-D174 IonicContact CE1-OD2 2.63Å; H170-D174 IonicContact CG-OD2 3.15Å; H170-D174 IonicContact ND1-OD1 3.46Å; H170-D174 PolarHBondContact ND1-OD1 2.88Å; H170-D174 IonicContact ND1-OD2 2.97Å; H170-D174 PolarHBondContact ND1-OD2 2.89Å; Y171-D174 HydrophobicContact CD1-CB 3.86Å; Y171-D174 HydrophobicContact CD2-CB 4.03Å; Y171-D174 HydrophobicContact CE1-CB 3.54Å; Y171-D174 HydrophobicContact CE2-CB 3.7Å; Y171-D174 HydrophobicContact CG-CB 4.09Å; Y171-D174 VanDerWaalsContact CZ-CB 3.44Å; Y171-D174 PolarHBondContact N-OD2 3.36Å; Y171-D174 WeakPolarHBondContact O-CB 3.45Å; Y171-D174 PolarHBondContact O-N 3.38Å; Y171-D174 VanDerWaalsContact O-N 3.15Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 PolarHBondContact O-N 2.95Å; D174-L176 VanDerWaalsContact C-N 3.27Å; D174-L176 PolarHBondContact O-N 2.86Å; D174-L176 PolarHBondContact OD1-N 3Å; D174-W177 PolarHBondContact O-N 2.93Å; D174-W177 VanDerWaalsContact O-N 3.17Å; D174-W177 PolarHBondContact OD1-N 3.41Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.09Å |
| 175 | G | 97.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -29.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F2 F5 L179 | F2-G175 WeakPolarHBondContact O-CA 3.37Å; F2-G175 PolarHBondContact O-N 2.73Å; F5-G175 VanDerWaalsContact O-CA 3.24Å; F5-G175 WeakPolarHBondContact O-CA 3.23Å; G175-L179 PolarHBondContact O-N 3.09Å; G175-L179 VanDerWaalsContact O-N 3.17Å |
| 176 | L | 97.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.6 | -39.3 | 175.7 | 177.3 | 61.9 | 0 | 0 | 0 | 110.8 | F2 L61 I69 F72 T82 D174 Q178 L179 | F2-L176 HydrophobicContact CB-CB 3.84Å; F2-L176 HydrophobicContact CD1-CB 3.71Å; F2-L176 HydrophobicContact CD1-CD2 4.42Å; F2-L176 HydrophobicContact CD2-CB 3.84Å; F2-L176 HydrophobicContact CD2-CD2 3.86Å; F2-L176 HydrophobicContact CE1-CB 4.16Å; F2-L176 HydrophobicContact CE1-CD2 4.1Å; F2-L176 HydrophobicContact CE2-CB 4.32Å; F2-L176 HydrophobicContact CE2-CD2 3.54Å; F2-L176 HydrophobicContact CG-CB 3.53Å; F2-L176 HydrophobicContact CG-CD2 4.3Å; F2-L176 HydrophobicContact CZ-CB 4.47Å; F2-L176 HydrophobicContact CZ-CD2 3.68Å; L61-L176 HydrophobicContact CD1-CD1 3.92Å; L61-L176 HydrophobicContact CD2-CD1 3.9Å; I69-L176 HydrophobicContact CG2-CD1 4.24Å; F72-L176 HydrophobicContact CB-CD2 4.47Å; F72-L176 HydrophobicContact CD1-CD2 3.74Å; F72-L176 HydrophobicContact CE1-CD2 4.16Å; F72-L176 HydrophobicContact CG-CD2 4.14Å; T82-L176 HydrophobicContact CG2-CD2 4.22Å; D174-L176 VanDerWaalsContact C-N 3.27Å; D174-L176 PolarHBondContact O-N 2.86Å; D174-L176 PolarHBondContact OD1-N 3Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 3.44Å; L176-L179 HydrophobicContact CD1-CD2 4.27Å; L176-L179 WeakPolarHBondContact O-CB 3.28Å; L176-L179 PolarHBondContact O-N 3.24Å |
| 177 | W | 97.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.8 | 177.6 | -93.2 | 0 | 0 | 0 | 112.3 | L83 R84 H87 L172 N173 D174 L179 | L83-W177 HydrophobicContact CB-CE3 3.96Å; L83-W177 HydrophobicContact CB-CZ3 3.89Å; R84-W177 HydrophobicContact CG-CE3 3.98Å; R84-W177 HydrophobicContact CG-CH2 4.14Å; R84-W177 HydrophobicContact CG-CZ3 3.53Å; R84-W177 PolarHBondContact NH2-O 2.8Å; H87-W177 AromaticContact CE1-CH2 3.91Å; L172-W177 HydrophobicContact CD2-CD2 3.76Å; L172-W177 HydrophobicContact CD2-CE3 3.45Å; L172-W177 VanDerWaalsContact CD2-CE3 3.45Å; L172-W177 HydrophobicContact CD2-CH2 3.47Å; L172-W177 VanDerWaalsContact CD2-CH2 3.47Å; L172-W177 HydrophobicContact CD2-CZ2 3.79Å; L172-W177 HydrophobicContact CD2-CZ3 3.29Å; N173-W177 VanDerWaalsContact N-CG 3.32Å; N173-W177 PolarHBondContact OD1-NE1 2.72Å; D174-W177 PolarHBondContact O-N 2.93Å; D174-W177 VanDerWaalsContact O-N 3.17Å; D174-W177 PolarHBondContact OD1-N 3.41Å; W177-L179 VanDerWaalsContact C-N 3.31Å |
| 178 | Q | 96 | Very high | 93.6 | Very high | 135 Ų | 135 | 54.8 Ų | 54.8 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -77.6 | -13.7 | 179.3 | -66.7 | -178.9 | 18 | 0 | 0 | 113.7 | N173 D174 L176 R180 | N173-Q178 PolarHBondContact O-NE2 3.06Å; D174-Q178 WeakPolarHBondContact O-CG 3.3Å; D174-Q178 PolarHBondContact O-N 3.09Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 3.44Å; Q178-R180 PolarHBondContact O-N 2.67Å |
| 179 | L | 95.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 126.4 | 178.6 | -170.8 | 63.6 | 0 | 0 | 0 | 109.7 | F5 E7 I11 L61 I69 G175 L176 W177 M182 | F5-L179 HydrophobicContact CE1-CD1 4.24Å; F5-L179 HydrophobicContact CE1-CD2 4.11Å; F5-L179 HydrophobicContact CZ-CD2 4.49Å; E7-L179 HydrophobicContact CB-CD1 3.71Å; E7-L179 HydrophobicContact CG-CD1 3.79Å; I11-L179 HydrophobicContact CD1-CD1 4.22Å; L61-L179 HydrophobicContact CD1-CD2 3.72Å; I69-L179 HydrophobicContact CD1-CD2 4.46Å; I69-L179 HydrophobicContact CG1-CD2 4.12Å; G175-L179 PolarHBondContact O-N 3.09Å; G175-L179 VanDerWaalsContact O-N 3.17Å; L176-L179 HydrophobicContact CD1-CD2 4.27Å; L176-L179 WeakPolarHBondContact O-CB 3.28Å; L176-L179 PolarHBondContact O-N 3.24Å; W177-L179 VanDerWaalsContact C-N 3.31Å; L179-M182 HydrophobicContact CD1-SD 3.91Å; L179-M182 HydrophobicContact CD2-CG 4.17Å; L179-M182 HydrophobicContact CG-CG 4.3Å; L179-M182 HydrophobicContact CG-SD 4.3Å |
| 180 | R | 91.8 | Very high | 92.9 | Very high | 175 Ų | 175 | 60.5 Ų | 60.5 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -75 | 156.4 | 176.3 | -68.4 | -178.6 | -66.3 | -179.8 | 1.4 | 110.1 | E7 Q178 M182 | E7-R180 IonicContact OE2-NH2 3.3Å; Q178-R180 PolarHBondContact O-N 2.67Å; R180-M182 PolarHBondContact O-N 3.21Å; R180-M182 VanDerWaalsContact O-N 3.12Å |
| 181 | P | 90 | Very high | 92.5 | Very high | 71 Ų | 71 | 65 Ų | 65 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 122.5 | 173.9 | -28 | 35.6 | 0 | 0 | 0 | 111.1 | G67 K183 | G67-P181 CarbonylContact O-C 3.21Å; G67-P181 VanDerWaalsContact O-CA 3.26Å; G67-P181 WeakPolarHBondContact O-CA 3.42Å; P181-K183 PolarHBondContact O-N 3.46Å |
| 182 | M | 80.1 | Confident | 92 | Very high | 33 Ų | 33 | 69 Ų | 69 | 16% | 0.163 | 32% | 0.323 | C | S | . | . | trans | -86.5 | 90.2 | -174.2 | -66.5 | -66.3 | -59.6 | 0 | 0 | 108.1 | E7 I11 R51 I53 G67 I69 L179 R180 | E7-M182 HydrophobicContact CG-CE 4.34Å; E7-M182 HydrophobicContact CG-SD 4Å; I11-M182 HydrophobicContact CD1-CE 3.64Å; I11-M182 HydrophobicContact CD1-SD 4.04Å; R51-M182 PolarHBondContact NH2-O 2.62Å; I53-M182 HydrophobicContact CD1-CB 3.68Å; I53-M182 HydrophobicContact CD1-CG 3.76Å; G67-M182 VanDerWaalsContact CA-O 3.23Å; G67-M182 WeakPolarHBondContact CA-O 3.29Å; G67-M182 PolarHBondContact O-N 3.39Å; I69-M182 HydrophobicContact CD1-CG 4.36Å; L179-M182 HydrophobicContact CD1-SD 3.91Å; L179-M182 HydrophobicContact CD2-CG 4.17Å; L179-M182 HydrophobicContact CG-CG 4.3Å; L179-M182 HydrophobicContact CG-SD 4.3Å; R180-M182 PolarHBondContact O-N 3.21Å; R180-M182 VanDerWaalsContact O-N 3.12Å | ||
| 183 | K | 69.4 | Low | 91.5 | Very high | 211 Ų | 211 | 73 Ų | 73 | 92% | 0.917 | 34% | 0.34 | S | S | * | . | trans | -77.8 | 0 | 178.1 | -72.8 | -170.9 | -179.3 | -177.8 | 0 | 113.2 | R51 P181 | R51-K183 PolarHBondContact NH1-O 2.88Å; R51-K183 PolarHBondContact NH1-OXT 3.07Å; R51-K183 VanDerWaalsContact NH2-CA 3.34Å; R51-K183 PolarHBondContact NH2-OXT 2.93Å; P181-K183 PolarHBondContact O-N 3.46Å |
Retrieved 183 of 183 residues in 222.5 ms
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