| 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 | 90.4 | Very high | 95.6 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | 0 | -3.8 | 0 | -60.6 | -50.4 | 176.1 | 0 | 0 | 114.6 | L127 M128 C131 K149 | M1-L127 HydrophobicContact CE-CB 3.73Å; M1-L127 HydrophobicContact CG-CB 4.41Å; M1-M128 HydrophobicContact CE-CB 4.44Å; M1-M128 HydrophobicContact CE-CG 3.6Å; M1-C131 HydrophobicContact CB-CB 3.77Å; M1-C131 WeakPolarHBondContact CB-O 3.12Å; M1-C131 HydrophobicContact CG-CB 3.85Å; M1-K149 HydrophobicContact SD-CD 3.94Å | |||
| 2 | V | 95.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | trans | -100.4 | 157.9 | 173.2 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | A4 G5 A6 | V2-A4 VanDerWaalsContact C-N 3.35Å; V2-A4 PolarHBondContact O-N 3.32Å; V2-G5 PolarHBondContact O-N 3.14Å; V2-G5 VanDerWaalsContact O-N 3.1Å; V2-A6 PolarHBondContact O-N 2.89Å | ||
| 3 | N | 95.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -52.6 | -47.1 | -176.2 | -62.5 | 20.7 | 0 | 0 | 0 | 113 | G5 A6 I7 N56 Y82 | N3-G5 VanDerWaalsContact C-N 3.32Å; N3-G5 PolarHBondContact O-N 3.17Å; N3-A6 PolarHBondContact O-N 3.14Å; N3-A6 VanDerWaalsContact O-N 3.11Å; N3-I7 WeakPolarHBondContact O-CG1 3.28Å; N3-I7 PolarHBondContact O-N 3.29Å; N3-N56 PolarHBondContact ND2-OD1 3.1Å; N3-Y82 PolarHBondContact ND2-OH 3.07Å |
| 4 | A | 96.7 | Very high | 95 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2 V8 I59 | V2-A4 VanDerWaalsContact C-N 3.35Å; V2-A4 PolarHBondContact O-N 3.32Å; A4-V8 WeakPolarHBondContact O-CG2 3.46Å; A4-V8 PolarHBondContact O-N 3.11Å; A4-I59 HydrophobicContact CB-CG2 3.69Å |
| 5 | G | 96.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V2 N3 V8 V9 | V2-G5 PolarHBondContact O-N 3.14Å; V2-G5 VanDerWaalsContact O-N 3.1Å; N3-G5 VanDerWaalsContact C-N 3.32Å; N3-G5 PolarHBondContact O-N 3.17Å; G5-V8 PolarHBondContact O-N 3.49Å; G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 2.94Å; G5-V9 PolarHBondContact O-N 3.33Å |
| 6 | A | 96.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V2 N3 V8 V9 S10 Y82 | V2-A6 PolarHBondContact O-N 2.89Å; N3-A6 PolarHBondContact O-N 3.14Å; N3-A6 VanDerWaalsContact O-N 3.11Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.33Å; A6-V9 PolarHBondContact O-N 3.09Å; A6-S10 PolarHBondContact O-N 3.31Å; A6-S10 PolarHBondContact O-OG 3.07Å; A6-S10 VanDerWaalsContact O-OG 3.13Å; A6-Y82 HydrophobicContact CB-CD2 4.08Å; A6-Y82 HydrophobicContact CB-CE2 3.75Å |
| 7 | I | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.4 | -67.9 | 163.4 | 0 | 0 | 0 | 111 | N3 S10 S11 N56 I59 L63 F69 L79 Y82 | N3-I7 WeakPolarHBondContact O-CG1 3.28Å; N3-I7 PolarHBondContact O-N 3.29Å; I7-S10 PolarHBondContact O-N 3.37Å; I7-S11 PolarHBondContact O-N 3.29Å; I7-N56 HydrophobicContact CD1-CB 4.26Å; I7-I59 HydrophobicContact CD1-CB 4.5Å; I7-I59 HydrophobicContact CD1-CG2 4.08Å; I7-L63 HydrophobicContact CG2-CD1 4.37Å; I7-F69 HydrophobicContact CG2-CE1 4.06Å; I7-F69 HydrophobicContact CG2-CZ 4.02Å; I7-L79 HydrophobicContact CD1-CD1 3.9Å; I7-L79 HydrophobicContact CG1-CD1 4.25Å; I7-L79 HydrophobicContact CG2-CD1 4.25Å; I7-Y82 HydrophobicContact CG1-CD1 4.14Å; I7-Y82 HydrophobicContact CG1-CD2 3.89Å; I7-Y82 HydrophobicContact CG1-CE1 4.44Å; I7-Y82 HydrophobicContact CG1-CE2 4.2Å; I7-Y82 HydrophobicContact CG1-CG 3.86Å |
| 8 | V | 97.1 | Very high | 92.8 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 21% | 0.212 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | A4 G5 A6 S10 S11 L63 F69 | A4-V8 WeakPolarHBondContact O-CG2 3.46Å; A4-V8 PolarHBondContact O-N 3.11Å; G5-V8 PolarHBondContact O-N 3.49Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.33Å; V8-S10 VanDerWaalsContact C-N 3.34Å; V8-S10 PolarHBondContact O-N 3.22Å; V8-S11 WeakPolarHBondContact O-CB 3.34Å; V8-S11 PolarHBondContact O-N 3.46Å; V8-S11 VanDerWaalsContact O-N 3.08Å; V8-S11 PolarHBondContact O-OG 3.43Å; V8-L63 HydrophobicContact CG2-CD1 3.86Å; V8-L63 HydrophobicContact CG2-CD2 4.28Å; V8-F69 HydrophobicContact CG2-CE1 4.41Å |
| 9 | V | 96.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | G5 A6 S11 L12 | G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 2.94Å; G5-V9 PolarHBondContact O-N 3.33Å; A6-V9 PolarHBondContact O-N 3.09Å; V9-S11 PolarHBondContact O-N 2.86Å; V9-L12 WeakPolarHBondContact O-CB 3.31Å; V9-L12 PolarHBondContact O-N 3.09Å |
| 10 | S | 94.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -32.1 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | A6 I7 V8 L12 I13 | A6-S10 PolarHBondContact O-N 3.31Å; A6-S10 PolarHBondContact O-OG 3.07Å; A6-S10 VanDerWaalsContact O-OG 3.13Å; I7-S10 PolarHBondContact O-N 3.37Å; V8-S10 VanDerWaalsContact C-N 3.34Å; V8-S10 PolarHBondContact O-N 3.22Å; S10-L12 VanDerWaalsContact C-N 3.26Å; S10-L12 PolarHBondContact O-N 3.36Å; S10-I13 PolarHBondContact O-N 3.32Å |
| 11 | S | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.8 | -21.8 | 177.2 | 83 | 0 | 0 | 0 | 0 | 113.9 | I7 V8 V9 P70 | I7-S11 PolarHBondContact O-N 3.29Å; V8-S11 WeakPolarHBondContact O-CB 3.34Å; V8-S11 PolarHBondContact O-N 3.46Å; V8-S11 VanDerWaalsContact O-N 3.08Å; V8-S11 PolarHBondContact O-OG 3.43Å; V9-S11 PolarHBondContact O-N 2.86Å; S11-P70 WeakPolarHBondContact OG-CD 3.45Å |
| 12 | L | 95.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -86.5 | -17.7 | -178.2 | -56 | 176.9 | 0 | 0 | 0 | 112.7 | V9 S10 K14 P70 | V9-L12 WeakPolarHBondContact O-CB 3.31Å; V9-L12 PolarHBondContact O-N 3.09Å; S10-L12 VanDerWaalsContact C-N 3.26Å; S10-L12 PolarHBondContact O-N 3.36Å; L12-K14 PolarHBondContact O-N 3.48Å; L12-P70 HydrophobicContact CD2-CG 3.48Å; L12-P70 VanDerWaalsContact CD2-CG 3.48Å |
| 13 | I | 93.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 121.2 | -176.8 | -58.9 | 174.9 | 0 | 0 | 0 | 109.2 | S10 M15 K22 F25 V26 L85 | S10-I13 PolarHBondContact O-N 3.32Å; I13-M15 PolarHBondContact O-N 3.02Å; I13-K22 PolarHBondContact O-NZ 3.42Å; I13-K22 VanDerWaalsContact O-NZ 3.11Å; I13-F25 HydrophobicContact CG2-CD1 4.04Å; I13-F25 HydrophobicContact CG2-CE1 4.33Å; I13-V26 HydrophobicContact CD1-CG2 3.98Å; I13-V26 HydrophobicContact CG2-CG2 3.83Å; I13-L85 HydrophobicContact CD1-CD1 4.35Å |
| 14 | K | 89.6 | Confident | 92.1 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39.6 | 67.4 | 173.9 | -79.9 | -74.2 | -171.3 | 173 | 0 | 112.1 | L12 D16 C17 K22 F25 | L12-K14 PolarHBondContact O-N 3.48Å; K14-D16 PolarHBondContact O-N 3.11Å; K14-D16 VanDerWaalsContact O-N 3.14Å; K14-C17 HydrophobicContact CB-CB 4.14Å; K14-C17 PolarHBondContact O-N 2.73Å; K14-C17 VanDerWaalsContact O-N 3.17Å; K14-K22 HydrophobicContact CB-CG 4.14Å; K14-K22 WeakPolarHBondContact O-CE 3.46Å; K14-K22 PolarHBondContact O-NZ 3Å; K14-F25 HydrophobicContact CD-CE2 4.46Å; K14-F25 HydrophobicContact CG-CD1 3.75Å; K14-F25 HydrophobicContact CG-CD2 4.13Å; K14-F25 HydrophobicContact CG-CE1 3.92Å; K14-F25 HydrophobicContact CG-CE2 4.28Å; K14-F25 HydrophobicContact CG-CG 3.86Å; K14-F25 HydrophobicContact CG-CZ 4.18Å |
| 15 | M | 84.9 | Confident | 92.1 | Very high | 103 Ų | 103 | 60.6 Ų | 60.6 | 51% | 0.507 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.4 | -170.9 | -66.7 | -174.7 | -63.2 | 0 | 0 | 113.6 | I13 C17 P70 | I13-M15 PolarHBondContact O-N 3.02Å; M15-C17 PolarHBondContact O-N 3.39Å; M15-P70 HydrophobicContact SD-CB 4.05Å; M15-P70 HydrophobicContact SD-CG 4.15Å |
| 16 | D | 84 | Confident | 92 | Very high | 163 Ų | 163 | 60.1 Ų | 60.1 | 87% | 0.872 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.5 | -174.5 | -50 | -52.9 | 0 | 0 | 0 | 114.7 | K14 | K14-D16 PolarHBondContact O-N 3.11Å; K14-D16 VanDerWaalsContact O-N 3.14Å |
| 17 | C | 85.4 | Confident | 91.9 | Very high | 42 Ų | 42 | 60 Ų | 60 | 28% | 0.284 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -100 | 159.6 | -175.8 | -70.2 | 0 | 0 | 0 | 0 | 112.8 | K14 M15 E21 K22 | K14-C17 HydrophobicContact CB-CB 4.14Å; K14-C17 PolarHBondContact O-N 2.73Å; K14-C17 VanDerWaalsContact O-N 3.17Å; M15-C17 PolarHBondContact O-N 3.39Å; C17-E21 WeakPolarHBondContact CA-OE2 3.33Å; C17-E21 HydrophobicContact CB-CB 3.91Å; C17-E21 VanDerWaalsContact CB-OE2 3.28Å; C17-E21 WeakPolarHBondContact CB-OE2 3.5Å; C17-K22 HydrophobicContact CB-CG 4.13Å; C17-K22 WeakPolarHBondContact O-CE 3.18Å |
| 18 | N | 86.4 | Confident | 91.8 | Very high | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | trans | -74.4 | 170 | 173.3 | 72.3 | 44.2 | 0 | 0 | 0 | 112 | A20 E21 K22 | N18-A20 VanDerWaalsContact C-N 3.34Å; N18-A20 PolarHBondContact O-N 2.6Å; N18-A20 PolarHBondContact OD1-N 3.08Å; N18-A20 VanDerWaalsContact OD1-N 3.09Å; N18-E21 VanDerWaalsContact CG-CD 3.46Å; N18-E21 PolarHBondContact N-OE2 3.21Å; N18-E21 VanDerWaalsContact N-OE2 3.14Å; N18-E21 PolarHBondContact ND2-OE1 3.42Å; N18-E21 PolarHBondContact O-N 3.32Å; N18-E21 WeakPolarHBondContact OD1-CB 3.04Å; N18-E21 WeakPolarHBondContact OD1-CG 3.37Å; N18-E21 PolarHBondContact OD1-N 3.19Å; N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.45Å; N18-K22 PolarHBondContact O-N 3.15Å; N18-K22 VanDerWaalsContact O-N 3.07Å | ||
| 19 | K | 84 | Confident | 91.7 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | -176.2 | -63.7 | -174.4 | -174.4 | -173.9 | 0 | 113.1 | K22 F23 A77 D80 | K19-K22 PolarHBondContact O-N 2.96Å; K19-F23 PolarHBondContact O-N 3.48Å; K19-F23 VanDerWaalsContact O-N 3.17Å; K19-A77 HydrophobicContact CD-CB 4.41Å; K19-A77 VanDerWaalsContact CE-CB 3.47Å; K19-A77 HydrophobicContact CG-CB 4.4Å; K19-D80 IonicContact NZ-OD2 2.73Å; K19-D80 PolarHBondContact NZ-OD2 2.97Å |
| 20 | A | 88.6 | Confident | 91.6 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.4 | -46.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | N18 K22 F23 D24 | N18-A20 VanDerWaalsContact C-N 3.34Å; N18-A20 PolarHBondContact O-N 2.6Å; N18-A20 PolarHBondContact OD1-N 3.08Å; N18-A20 VanDerWaalsContact OD1-N 3.09Å; A20-K22 VanDerWaalsContact C-N 3.27Å; A20-K22 PolarHBondContact O-N 3.45Å; A20-F23 WeakPolarHBondContact O-CB 3.47Å; A20-F23 PolarHBondContact O-N 2.97Å; A20-F23 VanDerWaalsContact O-N 3.07Å; A20-D24 PolarHBondContact O-N 3.03Å |
| 21 | E | 91.9 | Very high | 91.7 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.1 | -72.9 | 166.5 | -170.9 | 0 | 0 | 112.4 | C17 N18 F25 | C17-E21 WeakPolarHBondContact CA-OE2 3.33Å; C17-E21 HydrophobicContact CB-CB 3.91Å; C17-E21 VanDerWaalsContact CB-OE2 3.28Å; C17-E21 WeakPolarHBondContact CB-OE2 3.5Å; N18-E21 VanDerWaalsContact CG-CD 3.46Å; N18-E21 PolarHBondContact N-OE2 3.21Å; N18-E21 VanDerWaalsContact N-OE2 3.14Å; N18-E21 PolarHBondContact ND2-OE1 3.42Å; N18-E21 PolarHBondContact O-N 3.32Å; N18-E21 WeakPolarHBondContact OD1-CB 3.04Å; N18-E21 WeakPolarHBondContact OD1-CG 3.37Å; N18-E21 PolarHBondContact OD1-N 3.19Å; E21-F25 WeakPolarHBondContact O-CB 3.41Å; E21-F25 PolarHBondContact O-N 3.47Å |
| 22 | K | 93.4 | Very high | 91.8 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.6 | -70.4 | 177.9 | -166.5 | -129.3 | 0 | 111.7 | I13 K14 C17 N18 K19 A20 F25 V26 L81 | I13-K22 PolarHBondContact O-NZ 3.42Å; I13-K22 VanDerWaalsContact O-NZ 3.11Å; K14-K22 HydrophobicContact CB-CG 4.14Å; K14-K22 WeakPolarHBondContact O-CE 3.46Å; K14-K22 PolarHBondContact O-NZ 3Å; C17-K22 HydrophobicContact CB-CG 4.13Å; C17-K22 WeakPolarHBondContact O-CE 3.18Å; N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.45Å; N18-K22 PolarHBondContact O-N 3.15Å; N18-K22 VanDerWaalsContact O-N 3.07Å; K19-K22 PolarHBondContact O-N 2.96Å; A20-K22 VanDerWaalsContact C-N 3.27Å; A20-K22 PolarHBondContact O-N 3.45Å; K22-F25 PolarHBondContact O-N 3.49Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.12Å; K22-V26 VanDerWaalsContact O-N 3.1Å; K22-L81 HydrophobicContact CB-CD1 4.26Å; K22-L81 HydrophobicContact CB-CD2 3.97Å; K22-L81 HydrophobicContact CD-CD2 4.06Å |
| 23 | F | 93.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 10% | 0.101 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 178.6 | -177.9 | -104.5 | 0 | 0 | 0 | 111.1 | K19 A20 F25 V26 L27 F41 L81 Q84 L85 V88 | K19-F23 PolarHBondContact O-N 3.48Å; K19-F23 VanDerWaalsContact O-N 3.17Å; A20-F23 WeakPolarHBondContact O-CB 3.47Å; A20-F23 PolarHBondContact O-N 2.97Å; A20-F23 VanDerWaalsContact O-N 3.07Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.4Å; F23-V26 PolarHBondContact O-N 2.72Å; F23-L27 HydrophobicContact CE1-CD2 4.19Å; F23-L27 WeakPolarHBondContact O-CB 3.49Å; F23-L27 PolarHBondContact O-N 3.44Å; F23-F41 HydrophobicContact CE2-CD2 4.04Å; F23-F41 HydrophobicContact CE2-CE2 4.22Å; F23-F41 HydrophobicContact CZ-CB 4.28Å; F23-F41 AromaticContact CZ-CD2 3.55Å; F23-F41 HydrophobicContact CZ-CD2 3.55Å; F23-F41 HydrophobicContact CZ-CE2 4.05Å; F23-F41 AromaticContact CZ-CG 3.96Å; F23-F41 HydrophobicContact CZ-CG 3.96Å; F23-L81 HydrophobicContact CB-CD1 4.22Å; F23-L81 HydrophobicContact CD2-CD1 4.5Å; F23-Q84 HydrophobicContact CD2-CB 3.84Å; F23-Q84 HydrophobicContact CE2-CB 3.92Å; F23-L85 HydrophobicContact CD2-CD2 4.21Å; F23-L85 HydrophobicContact CE2-CD2 4.39Å; F23-V88 HydrophobicContact CE2-CG2 4.17Å; F23-V88 HydrophobicContact CZ-CG2 4.46Å |
| 24 | D | 94.1 | Very high | 92.1 | Very high | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.1 | -68.5 | -16.8 | 0 | 0 | 0 | 111.6 | A20 V26 L27 Q28 | A20-D24 PolarHBondContact O-N 3.03Å; D24-V26 PolarHBondContact O-N 3.41Å; D24-L27 PolarHBondContact O-N 3.27Å; D24-Q28 VanDerWaalsContact O-CB 3.3Å; D24-Q28 WeakPolarHBondContact O-CB 3.34Å; D24-Q28 PolarHBondContact O-N 2.97Å |
| 25 | F | 94.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 175.8 | 175.1 | -97.2 | 0 | 0 | 0 | 112 | I13 K14 E21 K22 F23 Y29 | I13-F25 HydrophobicContact CG2-CD1 4.04Å; I13-F25 HydrophobicContact CG2-CE1 4.33Å; K14-F25 HydrophobicContact CD-CE2 4.46Å; K14-F25 HydrophobicContact CG-CD1 3.75Å; K14-F25 HydrophobicContact CG-CD2 4.13Å; K14-F25 HydrophobicContact CG-CE1 3.92Å; K14-F25 HydrophobicContact CG-CE2 4.28Å; K14-F25 HydrophobicContact CG-CG 3.86Å; K14-F25 HydrophobicContact CG-CZ 4.18Å; E21-F25 WeakPolarHBondContact O-CB 3.41Å; E21-F25 PolarHBondContact O-N 3.47Å; K22-F25 PolarHBondContact O-N 3.49Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.4Å; F25-Y29 HydrophobicContact CD2-CD2 4.45Å; F25-Y29 HydrophobicContact CD2-CE2 4.3Å; F25-Y29 HydrophobicContact CE1-CD2 4.13Å; F25-Y29 HydrophobicContact CE1-CE2 4.1Å; F25-Y29 HydrophobicContact CE2-CD2 4.01Å; F25-Y29 AromaticContact CE2-CE2 3.49Å; F25-Y29 HydrophobicContact CE2-CE2 3.49Å; F25-Y29 VanDerWaalsContact CE2-CE2 3.49Å; F25-Y29 AromaticContact CZ-CD2 3.83Å; F25-Y29 HydrophobicContact CZ-CD2 3.83Å; F25-Y29 AromaticContact CZ-CE2 3.36Å; F25-Y29 HydrophobicContact CZ-CE2 3.36Å; F25-Y29 WeakPolarHBondContact O-CD2 3.3Å; F25-Y29 PolarHBondContact O-N 2.91Å |
| 26 | V | 95 | Very high | 92.9 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | I13 K22 F23 D24 Q28 Y29 L30 L85 | I13-V26 HydrophobicContact CD1-CG2 3.98Å; I13-V26 HydrophobicContact CG2-CG2 3.83Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.12Å; K22-V26 VanDerWaalsContact O-N 3.1Å; F23-V26 PolarHBondContact O-N 2.72Å; D24-V26 PolarHBondContact O-N 3.41Å; V26-Q28 VanDerWaalsContact C-N 3.26Å; V26-Q28 PolarHBondContact O-N 3.22Å; V26-Y29 WeakPolarHBondContact O-CB 3.41Å; V26-Y29 PolarHBondContact O-N 3.39Å; V26-L30 HydrophobicContact CG1-CD1 4.03Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 2.92Å; V26-L85 HydrophobicContact CB-CD2 3.85Å; V26-L85 HydrophobicContact CG1-CD1 4.46Å; V26-L85 HydrophobicContact CG1-CD2 3.48Å; V26-L85 VanDerWaalsContact CG1-CD2 3.48Å; V26-L85 HydrophobicContact CG2-CD2 4.29Å |
| 27 | L | 94.2 | Very high | 93.5 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -36.8 | -179.8 | -167.3 | 65.1 | 0 | 0 | 0 | 111.5 | F23 D24 L30 N31 M39 V88 | F23-L27 HydrophobicContact CE1-CD2 4.19Å; F23-L27 WeakPolarHBondContact O-CB 3.49Å; F23-L27 PolarHBondContact O-N 3.44Å; D24-L27 PolarHBondContact O-N 3.27Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-N31 WeakPolarHBondContact O-CB 3.5Å; L27-N31 PolarHBondContact O-N 3.39Å; L27-N31 PolarHBondContact O-ND2 2.9Å; L27-N31 VanDerWaalsContact O-ND2 3.11Å; L27-M39 HydrophobicContact CD1-CB 4.24Å; L27-M39 HydrophobicContact CD1-CE 4.01Å; L27-V88 HydrophobicContact CD1-CG1 4.46Å |
| 28 | Q | 94.8 | Very high | 94 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 172.8 | -171.2 | -178.6 | 18.3 | 0 | 0 | 111.9 | D24 V26 N31 K32 | D24-Q28 VanDerWaalsContact O-CB 3.3Å; D24-Q28 WeakPolarHBondContact O-CB 3.34Å; D24-Q28 PolarHBondContact O-N 2.97Å; V26-Q28 VanDerWaalsContact C-N 3.26Å; V26-Q28 PolarHBondContact O-N 3.22Å; Q28-N31 PolarHBondContact O-N 3.47Å; Q28-K32 WeakPolarHBondContact O-CG 3.39Å; Q28-K32 PolarHBondContact O-N 3.19Å |
| 29 | Y | 94.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.4 | -96.5 | -95.1 | 0 | 0 | 0 | 112.2 | F25 V26 K32 M33 V115 L116 | F25-Y29 HydrophobicContact CD2-CD2 4.45Å; F25-Y29 HydrophobicContact CD2-CE2 4.3Å; F25-Y29 HydrophobicContact CE1-CD2 4.13Å; F25-Y29 HydrophobicContact CE1-CE2 4.1Å; F25-Y29 HydrophobicContact CE2-CD2 4.01Å; F25-Y29 AromaticContact CE2-CE2 3.49Å; F25-Y29 HydrophobicContact CE2-CE2 3.49Å; F25-Y29 VanDerWaalsContact CE2-CE2 3.49Å; F25-Y29 AromaticContact CZ-CD2 3.83Å; F25-Y29 HydrophobicContact CZ-CD2 3.83Å; F25-Y29 AromaticContact CZ-CE2 3.36Å; F25-Y29 HydrophobicContact CZ-CE2 3.36Å; F25-Y29 WeakPolarHBondContact O-CD2 3.3Å; F25-Y29 PolarHBondContact O-N 2.91Å; V26-Y29 WeakPolarHBondContact O-CB 3.41Å; V26-Y29 PolarHBondContact O-N 3.39Å; Y29-K32 PolarHBondContact O-N 3.1Å; Y29-M33 WeakPolarHBondContact O-CG 3.48Å; Y29-M33 PolarHBondContact O-N 3.47Å; Y29-V115 HydrophobicContact CD1-CG1 3.97Å; Y29-V115 HydrophobicContact CE1-CG1 4.44Å; Y29-V115 WeakPolarHBondContact CE1-O 3.43Å; Y29-L116 HydrophobicContact CD1-CD2 4.28Å; Y29-L116 HydrophobicContact CE1-CD2 4.49Å |
| 30 | L | 95.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.3 | -61.4 | 176.2 | 0 | 0 | 0 | 111.4 | V26 L27 K32 M33 A34 M39 V88 M98 | V26-L30 HydrophobicContact CG1-CD1 4.03Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 2.92Å; L27-L30 PolarHBondContact O-N 2.86Å; L30-K32 VanDerWaalsContact C-N 3.35Å; L30-K32 PolarHBondContact O-N 2.89Å; L30-M33 WeakPolarHBondContact O-CB 3.35Å; L30-M33 PolarHBondContact O-N 3.07Å; L30-M33 VanDerWaalsContact O-N 3.17Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.16Å; L30-M39 HydrophobicContact CB-CE 3.7Å; L30-M39 HydrophobicContact CB-SD 4.23Å; L30-M39 HydrophobicContact CD1-CE 3.92Å; L30-M39 HydrophobicContact CG-CE 4.45Å; L30-V88 HydrophobicContact CD1-CG1 4.33Å; L30-M98 HydrophobicContact CB-CE 4.12Å; L30-M98 HydrophobicContact CD2-CE 3.5Å; L30-M98 HydrophobicContact CG-CE 4.31Å |
| 31 | N | 96.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 173.3 | -86.1 | -45.1 | 0 | 0 | 0 | 112.1 | L27 Q28 M33 A34 G35 N36 M39 | L27-N31 WeakPolarHBondContact O-CB 3.5Å; L27-N31 PolarHBondContact O-N 3.39Å; L27-N31 PolarHBondContact O-ND2 2.9Å; L27-N31 VanDerWaalsContact O-ND2 3.11Å; Q28-N31 PolarHBondContact O-N 3.47Å; N31-M33 VanDerWaalsContact C-N 3.35Å; N31-M33 PolarHBondContact O-N 3.17Å; N31-A34 CarbonylContact O-C 3.6Å; N31-A34 PolarHBondContact O-N 3.3Å; N31-G35 PolarHBondContact O-N 3.5Å; N31-N36 PolarHBondContact O-N 2.95Å; N31-M39 WeakPolarHBondContact OD1-CB 3.37Å; N31-M39 WeakPolarHBondContact OD1-CG 3.16Å |
| 32 | K | 97.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.4 | -71.8 | 177.6 | 173.7 | -147.3 | 0 | 112.1 | Q28 Y29 L30 A34 G35 E113 V115 | Q28-K32 WeakPolarHBondContact O-CG 3.39Å; Q28-K32 PolarHBondContact O-N 3.19Å; Y29-K32 PolarHBondContact O-N 3.1Å; L30-K32 VanDerWaalsContact C-N 3.35Å; L30-K32 PolarHBondContact O-N 2.89Å; K32-A34 VanDerWaalsContact C-N 3.3Å; K32-A34 PolarHBondContact O-N 3.05Å; K32-G35 PolarHBondContact O-N 3.1Å; K32-G35 VanDerWaalsContact O-N 3.16Å; K32-E113 WeakPolarHBondContact CD-OE1 3.34Å; K32-E113 WeakPolarHBondContact CE-OE1 3.43Å; K32-E113 IonicContact NZ-OE1 2.72Å; K32-E113 PolarHBondContact NZ-OE1 3.49Å; K32-V115 HydrophobicContact CB-CB 4.49Å; K32-V115 HydrophobicContact CB-CG1 3.75Å; K32-V115 HydrophobicContact CB-CG2 3.88Å |
| 33 | M | 97.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 176.4 | -70.2 | -178.7 | 66.8 | 0 | 0 | 112.7 | Y29 L30 N31 G35 M98 T101 L102 V115 L116 | Y29-M33 WeakPolarHBondContact O-CG 3.48Å; Y29-M33 PolarHBondContact O-N 3.47Å; L30-M33 WeakPolarHBondContact O-CB 3.35Å; L30-M33 PolarHBondContact O-N 3.07Å; L30-M33 VanDerWaalsContact O-N 3.17Å; N31-M33 VanDerWaalsContact C-N 3.35Å; N31-M33 PolarHBondContact O-N 3.17Å; M33-G35 VanDerWaalsContact C-N 3.27Å; M33-M98 HydrophobicContact CB-CG 4.1Å; M33-T101 HydrophobicContact CB-CG2 4.36Å; M33-T101 HydrophobicContact CG-CG2 4.21Å; M33-T101 PolarHBondContact O-OG1 3.37Å; M33-L102 HydrophobicContact CE-CD2 3.93Å; M33-L102 HydrophobicContact CE-CG 4.06Å; M33-V115 HydrophobicContact CG-CB 4.31Å; M33-V115 HydrophobicContact CG-CG1 3.66Å; M33-L116 HydrophobicContact CE-CD1 3.76Å; M33-L116 HydrophobicContact SD-CD1 3.81Å; M33-L116 HydrophobicContact SD-CG 4.34Å |
| 34 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L30 N31 K32 N36 E37 M39 M98 | L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.16Å; N31-A34 CarbonylContact O-C 3.6Å; N31-A34 PolarHBondContact O-N 3.3Å; K32-A34 VanDerWaalsContact C-N 3.3Å; K32-A34 PolarHBondContact O-N 3.05Å; A34-N36 VanDerWaalsContact C-N 3.32Å; A34-N36 PolarHBondContact O-N 3.23Å; A34-E37 WeakPolarHBondContact O-CB 3.48Å; A34-E37 WeakPolarHBondContact O-CG 3.3Å; A34-E37 PolarHBondContact O-N 3.43Å; A34-M39 HydrophobicContact CB-CG 4.41Å; A34-M39 HydrophobicContact CB-SD 4.33Å; A34-M98 HydrophobicContact CB-CG 3.75Å; A34-M98 HydrophobicContact CB-SD 4.31Å |
| 35 | G | 96.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 36.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N31 K32 M33 E37 | N31-G35 PolarHBondContact O-N 3.5Å; K32-G35 PolarHBondContact O-N 3.1Å; K32-G35 VanDerWaalsContact O-N 3.16Å; M33-G35 VanDerWaalsContact C-N 3.27Å; G35-E37 VanDerWaalsContact C-N 3.25Å; G35-E37 PolarHBondContact O-N 2.9Å |
| 36 | N | 95.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 52.8 Ų | 52.8 | 66% | 0.658 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 23 | -176.8 | -49.3 | -56.2 | 0 | 0 | 0 | 114.7 | N31 A34 | N31-N36 PolarHBondContact O-N 2.95Å; A34-N36 VanDerWaalsContact C-N 3.32Å; A34-N36 PolarHBondContact O-N 3.23Å |
| 37 | E | 95.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | trans | -72.1 | -178.4 | 165.1 | -69.2 | -165.2 | -177.7 | 0 | 0 | 112.3 | A34 G35 M39 S94 | A34-E37 WeakPolarHBondContact O-CB 3.48Å; A34-E37 WeakPolarHBondContact O-CG 3.3Å; A34-E37 PolarHBondContact O-N 3.43Å; G35-E37 VanDerWaalsContact C-N 3.25Å; G35-E37 PolarHBondContact O-N 2.9Å; E37-M39 PolarHBondContact O-N 3.19Å; E37-M39 VanDerWaalsContact O-N 3.16Å; E37-S94 WeakPolarHBondContact OE2-CA 3.19Å; E37-S94 PolarHBondContact OE2-N 3.04Å | ||
| 38 | Y | 95.8 | Very high | 96 | Very high | 121 Ų | 121 | 57 Ų | 57 | 48% | 0.475 | 30% | 0.299 | S | S | . | . | trans | -55.3 | 120.4 | -176.8 | 179.9 | -93.6 | 0 | 0 | 0 | 112.5 | E89 T91 S94 | Y38-E89 HydrophobicContact CE1-CB 4.16Å; Y38-E89 PolarHBondContact OH-OE2 3.13Å; Y38-T91 HydrophobicContact CD1-CG2 3.77Å; Y38-T91 HydrophobicContact CE1-CG2 4.45Å; Y38-T91 HydrophobicContact CG-CG2 4.16Å; Y38-S94 VanDerWaalsContact O-CB 3.26Å; Y38-S94 WeakPolarHBondContact O-CB 3.15Å; Y38-S94 PolarHBondContact O-OG 3.48Å | ||
| 39 | M | 94.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.2 | 166.5 | -72.2 | -64.9 | -46.6 | 0 | 0 | 107.6 | L27 L30 N31 A34 E37 V88 V90 M98 | L27-M39 HydrophobicContact CD1-CB 4.24Å; L27-M39 HydrophobicContact CD1-CE 4.01Å; L30-M39 HydrophobicContact CB-CE 3.7Å; L30-M39 HydrophobicContact CB-SD 4.23Å; L30-M39 HydrophobicContact CD1-CE 3.92Å; L30-M39 HydrophobicContact CG-CE 4.45Å; N31-M39 WeakPolarHBondContact OD1-CB 3.37Å; N31-M39 WeakPolarHBondContact OD1-CG 3.16Å; A34-M39 HydrophobicContact CB-CG 4.41Å; A34-M39 HydrophobicContact CB-SD 4.33Å; E37-M39 PolarHBondContact O-N 3.19Å; E37-M39 VanDerWaalsContact O-N 3.16Å; M39-V88 HydrophobicContact CE-CG1 3.25Å; M39-V90 HydrophobicContact CE-CG1 3.77Å; M39-V90 HydrophobicContact SD-CG1 3.52Å; M39-V90 VanDerWaalsContact SD-CG1 3.52Å; M39-M98 HydrophobicContact SD-SD 4.08Å |
| 40 | G | 94.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E89 | G40-E89 PolarHBondContact N-O 3.41Å; G40-E89 PolarHBondContact O-N 2.95Å |
| 41 | F | 96.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 31% | 0.311 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 123.1 | 172.5 | 173.8 | -103.1 | 0 | 0 | 0 | 109.8 | F23 N43 F46 Q84 | F23-F41 HydrophobicContact CE2-CD2 4.04Å; F23-F41 HydrophobicContact CE2-CE2 4.22Å; F23-F41 HydrophobicContact CZ-CB 4.28Å; F23-F41 AromaticContact CZ-CD2 3.55Å; F23-F41 HydrophobicContact CZ-CD2 3.55Å; F23-F41 HydrophobicContact CZ-CE2 4.05Å; F23-F41 AromaticContact CZ-CG 3.96Å; F23-F41 HydrophobicContact CZ-CG 3.96Å; F41-N43 HydrophobicContact CD1-CB 4.48Å; F41-N43 HydrophobicContact CE1-CB 3.93Å; F41-F46 HydrophobicContact CE2-CB 4.31Å; F41-F46 HydrophobicContact CZ-CB 3.82Å; F41-F46 HydrophobicContact CZ-CD1 4.27Å; F41-F46 HydrophobicContact CZ-CG 4Å; F41-Q84 HydrophobicContact CE2-CB 4.21Å; F41-Q84 HydrophobicContact CE2-CG 4.48Å; F41-Q84 WeakPolarHBondContact CE2-O 3.42Å; F41-Q84 HydrophobicContact CZ-CG 4.48Å |
| 42 | S | 96.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | trans | -94.7 | 101.1 | 176.5 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | A44 T45 F46 S87 E89 | S42-A44 PolarHBondContact O-N 2.89Å; S42-T45 PolarHBondContact O-N 3.46Å; S42-T45 WeakPolarHBondContact OG-CB 3.44Å; S42-T45 PolarHBondContact OG-N 2.98Å; S42-T45 VanDerWaalsContact OG-N 3.09Å; S42-T45 PolarHBondContact OG-OG1 2.98Å; S42-F46 WeakPolarHBondContact O-CB 3.43Å; S42-F46 PolarHBondContact O-N 3.23Å; S42-S87 PolarHBondContact N-O 3.42Å; S42-E89 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 43 | N | 96.2 | Very high | 95.4 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -30.2 | 172.9 | -173.4 | 53.4 | 0 | 0 | 0 | 111.9 | F41 F46 Q47 | F41-N43 HydrophobicContact CD1-CB 4.48Å; F41-N43 HydrophobicContact CE1-CB 3.93Å; N43-F46 PolarHBondContact O-N 3.31Å; N43-Q47 WeakPolarHBondContact O-CG 3.35Å; N43-Q47 PolarHBondContact O-N 2.89Å |
| 44 | A | 96.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.9 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S42 F46 Q47 S48 | S42-A44 PolarHBondContact O-N 2.89Å; A44-F46 VanDerWaalsContact C-N 3.33Å; A44-F46 PolarHBondContact O-N 3.2Å; A44-Q47 PolarHBondContact O-N 3.41Å; A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.24Å |
| 45 | T | 95.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 72.7 Ų | 72.7 | 37% | 0.368 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | S42 Q47 S48 E49 | S42-T45 PolarHBondContact O-N 3.46Å; S42-T45 WeakPolarHBondContact OG-CB 3.44Å; S42-T45 PolarHBondContact OG-N 2.98Å; S42-T45 VanDerWaalsContact OG-N 3.09Å; S42-T45 PolarHBondContact OG-OG1 2.98Å; T45-Q47 PolarHBondContact O-N 3.34Å; T45-S48 PolarHBondContact O-N 2.71Å; T45-E49 HydrophobicContact CG2-CG 4.06Å; T45-E49 WeakPolarHBondContact O-CB 3.26Å; T45-E49 WeakPolarHBondContact O-CG 3.46Å; T45-E49 PolarHBondContact O-N 2.9Å |
| 46 | F | 96.5 | Very high | 95.2 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 176.6 | 166.9 | -113.8 | 0 | 0 | 0 | 113 | F41 S42 N43 A44 K50 F83 Q84 S87 | F41-F46 HydrophobicContact CE2-CB 4.31Å; F41-F46 HydrophobicContact CZ-CB 3.82Å; F41-F46 HydrophobicContact CZ-CD1 4.27Å; F41-F46 HydrophobicContact CZ-CG 4Å; S42-F46 WeakPolarHBondContact O-CB 3.43Å; S42-F46 PolarHBondContact O-N 3.23Å; N43-F46 PolarHBondContact O-N 3.31Å; A44-F46 VanDerWaalsContact C-N 3.33Å; A44-F46 PolarHBondContact O-N 3.2Å; F46-K50 HydrophobicContact CE2-CD 4.33Å; F46-K50 HydrophobicContact CZ-CD 4.02Å; F46-K50 WeakPolarHBondContact O-CB 3.23Å; F46-K50 PolarHBondContact O-N 2.89Å; F46-F83 HydrophobicContact CD2-CB 3.76Å; F46-F83 HydrophobicContact CE2-CB 3.69Å; F46-Q84 HydrophobicContact CD2-CG 3.91Å; F46-Q84 HydrophobicContact CE2-CG 3.56Å; F46-Q84 HydrophobicContact CZ-CG 3.99Å; F46-S87 WeakPolarHBondContact CA-OG 3.45Å; F46-S87 PolarHBondContact N-OG 2.87Å |
| 47 | Q | 95.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 69 Ų | 69 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.3 | -63.9 | -59.3 | -22.8 | 0 | 0 | 111.1 | N43 A44 T45 E49 K50 E51 | N43-Q47 WeakPolarHBondContact O-CG 3.35Å; N43-Q47 PolarHBondContact O-N 2.89Å; A44-Q47 PolarHBondContact O-N 3.41Å; T45-Q47 PolarHBondContact O-N 3.34Å; Q47-E49 PolarHBondContact O-N 2.96Å; Q47-K50 PolarHBondContact O-N 3.07Å; Q47-E51 WeakPolarHBondContact O-CB 3.36Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 3.08Å |
| 48 | S | 95.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 69 Ų | 69 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 178.9 | -176.3 | 0 | 0 | 0 | 0 | 112.8 | A44 T45 K50 E51 T52 | A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.24Å; T45-S48 PolarHBondContact O-N 2.71Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 3.37Å; S48-E51 PolarHBondContact O-N 3.43Å; S48-T52 WeakPolarHBondContact O-CB 3.5Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 PolarHBondContact O-OG1 3.45Å |
| 49 | E | 94.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 176.7 | -76.2 | -70.5 | 157.4 | 0 | 0 | 111.9 | T45 Q47 G53 F83 | T45-E49 HydrophobicContact CG2-CG 4.06Å; T45-E49 WeakPolarHBondContact O-CB 3.26Å; T45-E49 WeakPolarHBondContact O-CG 3.46Å; T45-E49 PolarHBondContact O-N 2.9Å; Q47-E49 PolarHBondContact O-N 2.96Å; E49-G53 WeakPolarHBondContact O-CA 3.35Å; E49-G53 PolarHBondContact O-N 3.09Å; E49-F83 HydrophobicContact CB-CD1 4.16Å; E49-F83 WeakPolarHBondContact O-CE1 3.33Å |
| 50 | K | 93.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.1 | -37.2 | 177.2 | -176.7 | 172.9 | 173.9 | 162 | 0 | 112.5 | F46 Q47 S48 Y57 D80 F83 | F46-K50 HydrophobicContact CE2-CD 4.33Å; F46-K50 HydrophobicContact CZ-CD 4.02Å; F46-K50 WeakPolarHBondContact O-CB 3.23Å; F46-K50 PolarHBondContact O-N 2.89Å; Q47-K50 PolarHBondContact O-N 3.07Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 3.37Å; K50-Y57 VanDerWaalsContact CG-OH 3.28Å; K50-Y57 WeakPolarHBondContact CG-OH 3.4Å; K50-Y57 WeakPolarHBondContact O-CE2 3.34Å; K50-Y57 PolarHBondContact O-OH 3.44Å; K50-Y57 VanDerWaalsContact O-OH 3.07Å; K50-D80 WeakPolarHBondContact CE-OD1 3.49Å; K50-D80 IonicContact NZ-OD1 3.04Å; K50-D80 PolarHBondContact NZ-OD1 2.88Å; K50-D80 IonicContact NZ-OD2 3.34Å; K50-F83 HydrophobicContact CB-CD2 4.33Å; K50-F83 HydrophobicContact CG-CD2 4.29Å; K50-F83 HydrophobicContact CG-CE2 4.42Å |
| 51 | E | 94.3 | Very high | 95.7 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73 | -37.7 | 177.5 | -75.4 | 176.1 | -176.6 | 0 | 0 | 112.1 | Q47 S48 | Q47-E51 WeakPolarHBondContact O-CB 3.36Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 3.08Å; S48-E51 PolarHBondContact O-N 3.43Å |
| 52 | T | 93.2 | Very high | 95.7 | Very high | 94 Ų | 94 | 73.2 Ų | 73.2 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -99.9 | 1.3 | -176.2 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | S48 D54 | S48-T52 WeakPolarHBondContact O-CB 3.5Å; S48-T52 PolarHBondContact O-N 3.05Å; S48-T52 PolarHBondContact O-OG1 3.45Å; T52-D54 PolarHBondContact O-N 3.2Å |
| 53 | G | 92 | Very high | 95.8 | Very high | 5 Ų | 5 | 73.4 Ų | 73.4 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | trans | -78 | 30.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E49 R55 N56 Y57 | E49-G53 WeakPolarHBondContact O-CA 3.35Å; E49-G53 PolarHBondContact O-N 3.09Å; G53-R55 VanDerWaalsContact C-N 3.25Å; G53-R55 PolarHBondContact O-N 3.37Å; G53-R55 VanDerWaalsContact O-N 3.12Å; G53-N56 WeakPolarHBondContact O-CB 3.44Å; G53-N56 PolarHBondContact O-N 3.28Å; G53-Y57 VanDerWaalsContact O-CD2 3.3Å; G53-Y57 WeakPolarHBondContact O-CD2 3.37Å; G53-Y57 PolarHBondContact O-N 3.3Å | ||
| 54 | D | 94.8 | Very high | 95.7 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 65% | 0.647 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -49.5 | -43.1 | -172.5 | -70.6 | -34.6 | 0 | 0 | 0 | 113.5 | T52 N56 Y57 A58 | T52-D54 PolarHBondContact O-N 3.2Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 2.87Å; D54-Y57 PolarHBondContact O-N 3.06Å; D54-A58 PolarHBondContact O-N 3.49Å; D54-A58 VanDerWaalsContact O-N 3.08Å |
| 55 | R | 95.4 | Very high | 95.8 | Very high | 195 Ų | 195 | 78.2 Ų | 78.2 | 74% | 0.736 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.3 | -39.6 | 178.4 | -175.6 | -179.9 | 179.1 | -177.9 | 1.2 | 112.1 | G53 A58 I59 | G53-R55 VanDerWaalsContact C-N 3.25Å; G53-R55 PolarHBondContact O-N 3.37Å; G53-R55 VanDerWaalsContact O-N 3.12Å; R55-A58 PolarHBondContact O-N 2.86Å; R55-I59 HydrophobicContact CG-CD1 4.08Å; R55-I59 WeakPolarHBondContact O-CD1 3.42Å; R55-I59 VanDerWaalsContact O-CG1 3.29Å; R55-I59 WeakPolarHBondContact O-CG1 3.44Å; R55-I59 PolarHBondContact O-N 2.92Å; R55-I59 VanDerWaalsContact O-N 3.07Å |
| 56 | N | 96.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 81.5 Ų | 81.5 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.1 | -35.4 | -178.8 | -64.1 | -39.7 | 0 | 0 | 0 | 110.9 | N3 I7 G53 D54 I59 G60 L79 F83 | N3-N56 PolarHBondContact ND2-OD1 3.1Å; I7-N56 HydrophobicContact CD1-CB 4.26Å; G53-N56 WeakPolarHBondContact O-CB 3.44Å; G53-N56 PolarHBondContact O-N 3.28Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 2.87Å; N56-I59 PolarHBondContact O-N 2.89Å; N56-G60 PolarHBondContact O-N 3.25Å; N56-L79 HydrophobicContact CB-CD1 4.31Å; N56-L79 WeakPolarHBondContact O-CD1 3.33Å; N56-F83 HydrophobicContact CB-CE1 4.31Å; N56-F83 HydrophobicContact CB-CZ 3.98Å |
| 57 | Y | 96.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 89.6 Ų | 89.6 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 171.6 | -70.5 | -77 | 0 | 0 | 0 | 111.8 | K50 G53 D54 I59 G60 Y61 M76 L79 F83 | K50-Y57 VanDerWaalsContact CG-OH 3.28Å; K50-Y57 WeakPolarHBondContact CG-OH 3.4Å; K50-Y57 WeakPolarHBondContact O-CE2 3.34Å; K50-Y57 PolarHBondContact O-OH 3.44Å; K50-Y57 VanDerWaalsContact O-OH 3.07Å; G53-Y57 VanDerWaalsContact O-CD2 3.3Å; G53-Y57 WeakPolarHBondContact O-CD2 3.37Å; G53-Y57 PolarHBondContact O-N 3.3Å; D54-Y57 PolarHBondContact O-N 3.06Å; Y57-I59 VanDerWaalsContact C-N 3.31Å; Y57-I59 PolarHBondContact O-N 3.34Å; Y57-G60 PolarHBondContact O-N 2.96Å; Y57-G60 VanDerWaalsContact O-N 3.09Å; Y57-Y61 VanDerWaalsContact O-CD2 3.23Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.34Å; Y57-Y61 PolarHBondContact O-N 3.04Å; Y57-M76 HydrophobicContact CE1-CE 4.08Å; Y57-M76 HydrophobicContact CE1-SD 4.47Å; Y57-L79 HydrophobicContact CD1-CD2 3.25Å; Y57-L79 HydrophobicContact CD2-CD2 4.46Å; Y57-L79 HydrophobicContact CE1-CD2 3.26Å; Y57-L79 HydrophobicContact CE2-CD2 4.47Å; Y57-L79 HydrophobicContact CG-CD2 3.89Å; Y57-F83 HydrophobicContact CE2-CE2 4.28Å; Y57-F83 HydrophobicContact CE2-CZ 4.3Å |
| 58 | A | 97.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 88.6 Ų | 88.6 | 53% | 0.529 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | D54 R55 Y62 | D54-A58 PolarHBondContact O-N 3.49Å; D54-A58 VanDerWaalsContact O-N 3.08Å; R55-A58 PolarHBondContact O-N 2.86Å; A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 3.33Å |
| 59 | I | 97.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 86.8 Ų | 86.8 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 173.9 | -68.6 | 164.2 | 0 | 0 | 0 | 110.6 | A4 I7 R55 N56 Y57 Y61 Y62 L63 | A4-I59 HydrophobicContact CB-CG2 3.69Å; I7-I59 HydrophobicContact CD1-CB 4.5Å; I7-I59 HydrophobicContact CD1-CG2 4.08Å; R55-I59 HydrophobicContact CG-CD1 4.08Å; R55-I59 WeakPolarHBondContact O-CD1 3.42Å; R55-I59 VanDerWaalsContact O-CG1 3.29Å; R55-I59 WeakPolarHBondContact O-CG1 3.44Å; R55-I59 PolarHBondContact O-N 2.92Å; R55-I59 VanDerWaalsContact O-N 3.07Å; N56-I59 PolarHBondContact O-N 2.89Å; Y57-I59 VanDerWaalsContact C-N 3.31Å; Y57-I59 PolarHBondContact O-N 3.34Å; I59-Y61 PolarHBondContact O-N 3.11Å; I59-Y62 PolarHBondContact O-N 2.91Å; I59-L63 HydrophobicContact CG2-CD1 3.64Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.3Å; I59-L63 VanDerWaalsContact O-CG 3.26Å; I59-L63 WeakPolarHBondContact O-CG 3.44Å; I59-L63 PolarHBondContact O-N 3.15Å |
| 60 | G | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N56 Y57 L63 K64 M75 | N56-G60 PolarHBondContact O-N 3.25Å; Y57-G60 PolarHBondContact O-N 2.96Å; Y57-G60 VanDerWaalsContact O-N 3.09Å; G60-L63 PolarHBondContact O-N 2.95Å; G60-K64 WeakPolarHBondContact O-CB 3.26Å; G60-K64 PolarHBondContact O-N 2.9Å; G60-M75 WeakPolarHBondContact O-CG 3.32Å |
| 61 | Y | 97.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 92.5 Ų | 92.5 | 51% | 0.51 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.4 | -78.2 | -70.8 | 0 | 0 | 0 | 112.6 | Y57 I59 L63 K64 E65 M75 | Y57-Y61 VanDerWaalsContact O-CD2 3.23Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.34Å; Y57-Y61 PolarHBondContact O-N 3.04Å; I59-Y61 PolarHBondContact O-N 3.11Å; Y61-L63 PolarHBondContact O-N 3.34Å; Y61-K64 WeakPolarHBondContact O-CB 3.49Å; Y61-K64 PolarHBondContact O-N 3.21Å; Y61-E65 PolarHBondContact O-N 3.08Å; Y61-M75 HydrophobicContact CD1-CE 3.68Å; Y61-M75 HydrophobicContact CD2-CE 4.1Å; Y61-M75 HydrophobicContact CE1-CE 3.57Å; Y61-M75 HydrophobicContact CE2-CE 4Å; Y61-M75 HydrophobicContact CG-CE 3.94Å |
| 62 | Y | 97.6 | Very high | 95.3 | Very high | 152 Ų | 152 | 89.8 Ų | 89.8 | 60% | 0.596 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 177.2 | -169.6 | -89.3 | 0 | 0 | 0 | 112.2 | A58 I59 K64 E65 K66 | A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 3.33Å; I59-Y62 PolarHBondContact O-N 2.91Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.4Å; Y62-E65 PolarHBondContact O-N 2.94Å; Y62-K66 HydrophobicContact CD1-CG 4.32Å; Y62-K66 HydrophobicContact CE1-CG 3.95Å; Y62-K66 WeakPolarHBondContact O-CG 3.5Å; Y62-K66 PolarHBondContact O-N 2.73Å; Y62-K66 VanDerWaalsContact O-N 3.12Å |
| 63 | L | 97.2 | Very high | 95 | Very high | 22 Ų | 22 | 87.1 Ų | 87.1 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 176.6 | -70.3 | 172.1 | 0 | 0 | 0 | 112.2 | I7 V8 I59 G60 Y61 K66 K67 C68 F69 | I7-L63 HydrophobicContact CG2-CD1 4.37Å; V8-L63 HydrophobicContact CG2-CD1 3.86Å; V8-L63 HydrophobicContact CG2-CD2 4.28Å; I59-L63 HydrophobicContact CG2-CD1 3.64Å; I59-L63 HydrophobicContact CG2-CG 4.13Å; I59-L63 WeakPolarHBondContact O-CB 3.3Å; I59-L63 VanDerWaalsContact O-CG 3.26Å; I59-L63 WeakPolarHBondContact O-CG 3.44Å; I59-L63 PolarHBondContact O-N 3.15Å; G60-L63 PolarHBondContact O-N 2.95Å; Y61-L63 PolarHBondContact O-N 3.34Å; L63-K66 PolarHBondContact O-N 3.5Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-C68 HydrophobicContact CB-CB 4.08Å; L63-C68 HydrophobicContact CD2-CB 3.81Å; L63-C68 WeakPolarHBondContact O-CB 3.39Å; L63-C68 PolarHBondContact O-N 3.33Å; L63-F69 HydrophobicContact CB-CD2 4.47Å; L63-F69 HydrophobicContact CB-CE2 3.66Å; L63-F69 HydrophobicContact CB-CZ 3.84Å; L63-F69 HydrophobicContact CD1-CZ 4.18Å |
| 64 | K | 96 | Very high | 95 | Very high | 113 Ų | 113 | 90.6 Ų | 90.6 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 176.1 | -174.3 | 178.6 | -178 | 175.4 | 0 | 111.2 | G60 Y61 Y62 K66 K67 F69 M75 | G60-K64 WeakPolarHBondContact O-CB 3.26Å; G60-K64 PolarHBondContact O-N 2.9Å; Y61-K64 WeakPolarHBondContact O-CB 3.49Å; Y61-K64 PolarHBondContact O-N 3.21Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.4Å; K64-K66 VanDerWaalsContact C-N 3.28Å; K64-K66 PolarHBondContact O-N 3.37Å; K64-K67 PolarHBondContact O-N 3.34Å; K64-K67 VanDerWaalsContact O-N 3.09Å; K64-F69 HydrophobicContact CB-CD2 4.29Å; K64-F69 HydrophobicContact CB-CE2 4.14Å; K64-M75 HydrophobicContact CB-CB 4.42Å; K64-M75 HydrophobicContact CB-CG 4.33Å; K64-M75 HydrophobicContact CD-CB 4.01Å; K64-M75 HydrophobicContact CD-CE 4.46Å; K64-M75 HydrophobicContact CG-CB 4.46Å |
| 65 | E | 96.9 | Very high | 94.9 | Very high | 154 Ų | 154 | 85 Ų | 85 | 72% | 0.72 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.6 | -39.8 | 178.1 | -176.8 | 60.9 | -162.6 | 0 | 0 | 111.8 | Y61 Y62 K67 | Y61-E65 PolarHBondContact O-N 3.08Å; Y62-E65 PolarHBondContact O-N 2.94Å; E65-K67 PolarHBondContact O-N 2.92Å |
| 66 | K | 97.3 | Very high | 94.8 | Very high | 130 Ų | 130 | 78.9 Ų | 78.9 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 6.1 | 178.4 | -64.6 | -60.4 | -175.2 | -175.7 | 0 | 114.8 | Y62 L63 K64 C68 | Y62-K66 HydrophobicContact CD1-CG 4.32Å; Y62-K66 HydrophobicContact CE1-CG 3.95Å; Y62-K66 WeakPolarHBondContact O-CG 3.5Å; Y62-K66 PolarHBondContact O-N 2.73Å; Y62-K66 VanDerWaalsContact O-N 3.12Å; L63-K66 PolarHBondContact O-N 3.5Å; K64-K66 VanDerWaalsContact C-N 3.28Å; K64-K66 PolarHBondContact O-N 3.37Å; K66-C68 PolarHBondContact O-N 2.96Å |
| 67 | K | 96.3 | Very high | 94.6 | Very high | 186 Ų | 186 | 79.5 Ų | 79.5 | 81% | 0.809 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 37.5 | 179.3 | -54.9 | 177.6 | -178.6 | 175.4 | 0 | 112.8 | L63 K64 E65 F69 | L63-K67 PolarHBondContact O-N 3.44Å; K64-K67 PolarHBondContact O-N 3.34Å; K64-K67 VanDerWaalsContact O-N 3.09Å; E65-K67 PolarHBondContact O-N 2.92Å; K67-F69 VanDerWaalsContact C-N 3.27Å; K67-F69 PolarHBondContact O-N 3.08Å |
| 68 | C | 96.5 | Very high | 94.4 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | trans | -76.5 | -14.8 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | L63 K66 | L63-C68 HydrophobicContact CB-CB 4.08Å; L63-C68 HydrophobicContact CD2-CB 3.81Å; L63-C68 WeakPolarHBondContact O-CB 3.39Å; L63-C68 PolarHBondContact O-N 3.33Å; K66-C68 PolarHBondContact O-N 2.96Å | ||
| 69 | F | 95.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 74.4 Ų | 74.4 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -89.9 | 152.4 | 177.7 | -61.9 | -67.4 | 0 | 0 | 0 | 111.9 | I7 V8 L63 K64 K67 M75 | I7-F69 HydrophobicContact CG2-CE1 4.06Å; I7-F69 HydrophobicContact CG2-CZ 4.02Å; V8-F69 HydrophobicContact CG2-CE1 4.41Å; L63-F69 HydrophobicContact CB-CD2 4.47Å; L63-F69 HydrophobicContact CB-CE2 3.66Å; L63-F69 HydrophobicContact CB-CZ 3.84Å; L63-F69 HydrophobicContact CD1-CZ 4.18Å; K64-F69 HydrophobicContact CB-CD2 4.29Å; K64-F69 HydrophobicContact CB-CE2 4.14Å; K67-F69 VanDerWaalsContact C-N 3.27Å; K67-F69 PolarHBondContact O-N 3.08Å; F69-M75 HydrophobicContact CD2-CB 4.41Å; F69-M75 HydrophobicContact CD2-CG 4.5Å; F69-M75 HydrophobicContact CE2-CB 4Å; F69-M75 HydrophobicContact CE2-CG 3.63Å; F69-M75 HydrophobicContact CZ-CB 4.49Å; F69-M75 HydrophobicContact CZ-CG 3.92Å |
| 70 | P | 93.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 73.7 Ų | 73.7 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -58 | 154.1 | 171.3 | -18.8 | 29.7 | 0 | 0 | 0 | 112.1 | S11 L12 M15 G72 V73 | S11-P70 WeakPolarHBondContact OG-CD 3.45Å; L12-P70 HydrophobicContact CD2-CG 3.48Å; L12-P70 VanDerWaalsContact CD2-CG 3.48Å; M15-P70 HydrophobicContact SD-CB 4.05Å; M15-P70 HydrophobicContact SD-CG 4.15Å; P70-G72 PolarHBondContact O-N 3.45Å; P70-V73 HydrophobicContact CB-CG2 3.86Å; P70-V73 HydrophobicContact CG-CG2 4.13Å; P70-V73 PolarHBondContact O-N 3.28Å |
| 71 | K | 90.9 | Very high | 94 | Very high | 216 Ų | 216 | 73.9 Ų | 73.9 | 94% | 0.939 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 129.8 | 179.4 | -66.8 | -176.1 | -179.5 | 178.8 | 0 | 110.3 | ||
| 72 | G | 85.7 | Confident | 94 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 92% | 0.918 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -1.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P70 | P70-G72 PolarHBondContact O-N 3.45Š|
| 73 | V | 88.5 | Confident | 93.9 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | trans | -83.9 | 132.2 | 178 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | P70 | P70-V73 HydrophobicContact CB-CG2 3.86Å; P70-V73 HydrophobicContact CG-CG2 4.13Å; P70-V73 PolarHBondContact O-N 3.28Å | ||
| 74 | D | 91.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | trans | -77.5 | 125.9 | 170.9 | 175.1 | 32.9 | 0 | 0 | 0 | 111.2 | M76 A77 A78 | D74-M76 PolarHBondContact OD1-N 3.23Å; D74-M76 VanDerWaalsContact OD1-N 3.11Å; D74-A77 HydrophobicContact CB-CB 3.96Å; D74-A77 PolarHBondContact O-N 3.47Å; D74-A77 PolarHBondContact OD2-N 3.48Å; D74-A78 PolarHBondContact O-N 3.38Å; D74-A78 VanDerWaalsContact O-N 3.15Å | ||
| 75 | M | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.2 | 178.7 | -82.7 | -71 | 0 | 0 | 111.6 | G60 Y61 K64 F69 A77 A78 L79 | G60-M75 WeakPolarHBondContact O-CG 3.32Å; Y61-M75 HydrophobicContact CD1-CE 3.68Å; Y61-M75 HydrophobicContact CD2-CE 4.1Å; Y61-M75 HydrophobicContact CE1-CE 3.57Å; Y61-M75 HydrophobicContact CE2-CE 4Å; Y61-M75 HydrophobicContact CG-CE 3.94Å; K64-M75 HydrophobicContact CB-CB 4.42Å; K64-M75 HydrophobicContact CB-CG 4.33Å; K64-M75 HydrophobicContact CD-CB 4.01Å; K64-M75 HydrophobicContact CD-CE 4.46Å; K64-M75 HydrophobicContact CG-CB 4.46Å; F69-M75 HydrophobicContact CD2-CB 4.41Å; F69-M75 HydrophobicContact CD2-CG 4.5Å; F69-M75 HydrophobicContact CE2-CB 4Å; F69-M75 HydrophobicContact CE2-CG 3.63Å; F69-M75 HydrophobicContact CZ-CB 4.49Å; F69-M75 HydrophobicContact CZ-CG 3.92Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 3.41Å; M75-A78 PolarHBondContact O-N 3.12Å; M75-L79 PolarHBondContact O-N 2.77Å |
| 76 | M | 92.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | -177.9 | -67 | -65.4 | -77.1 | 0 | 0 | 110.8 | Y57 D74 L79 D80 | Y57-M76 HydrophobicContact CE1-CE 4.08Å; Y57-M76 HydrophobicContact CE1-SD 4.47Å; D74-M76 PolarHBondContact OD1-N 3.23Å; D74-M76 VanDerWaalsContact OD1-N 3.11Å; M76-L79 PolarHBondContact O-N 2.99Å; M76-D80 WeakPolarHBondContact O-CB 3.45Å; M76-D80 PolarHBondContact O-N 3.1Å |
| 77 | A | 91.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K19 D74 M75 L79 L81 | K19-A77 HydrophobicContact CD-CB 4.41Å; K19-A77 VanDerWaalsContact CE-CB 3.47Å; K19-A77 HydrophobicContact CG-CB 4.4Å; D74-A77 HydrophobicContact CB-CB 3.96Å; D74-A77 PolarHBondContact O-N 3.47Å; D74-A77 PolarHBondContact OD2-N 3.48Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 3.41Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L81 PolarHBondContact O-N 2.99Å; A77-L81 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 93.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D74 M75 Y82 | D74-A78 PolarHBondContact O-N 3.38Å; D74-A78 VanDerWaalsContact O-N 3.15Å; M75-A78 PolarHBondContact O-N 3.12Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.11Å |
| 79 | L | 94.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 177.6 | -156.6 | 89.7 | 0 | 0 | 0 | 112.1 | I7 N56 Y57 M75 M76 A77 L81 Y82 F83 | I7-L79 HydrophobicContact CD1-CD1 3.9Å; I7-L79 HydrophobicContact CG1-CD1 4.25Å; I7-L79 HydrophobicContact CG2-CD1 4.25Å; N56-L79 HydrophobicContact CB-CD1 4.31Å; N56-L79 WeakPolarHBondContact O-CD1 3.33Å; Y57-L79 HydrophobicContact CD1-CD2 3.25Å; Y57-L79 HydrophobicContact CD2-CD2 4.46Å; Y57-L79 HydrophobicContact CE1-CD2 3.26Å; Y57-L79 HydrophobicContact CE2-CD2 4.47Å; Y57-L79 HydrophobicContact CG-CD2 3.89Å; M75-L79 PolarHBondContact O-N 2.77Å; M76-L79 PolarHBondContact O-N 2.99Å; A77-L79 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.1Å; L79-Y82 WeakPolarHBondContact O-CB 3.28Å; L79-Y82 PolarHBondContact O-N 3.33Å; L79-F83 HydrophobicContact CD2-CD2 4.35Å; L79-F83 HydrophobicContact CD2-CE2 3.5Å; L79-F83 HydrophobicContact CD2-CZ 4.19Å; L79-F83 HydrophobicContact CG-CD2 4.21Å; L79-F83 HydrophobicContact CG-CE2 3.69Å; L79-F83 HydrophobicContact CG-CZ 4.37Å; L79-F83 WeakPolarHBondContact O-CD2 3.33Å; L79-F83 PolarHBondContact O-N 3.3Å |
| 80 | D | 94.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 174.2 | -81.8 | -26.4 | 0 | 0 | 0 | 111 | K19 K50 M76 Y82 F83 Q84 | K19-D80 IonicContact NZ-OD2 2.73Å; K19-D80 PolarHBondContact NZ-OD2 2.97Å; K50-D80 WeakPolarHBondContact CE-OD1 3.49Å; K50-D80 IonicContact NZ-OD1 3.04Å; K50-D80 PolarHBondContact NZ-OD1 2.88Å; K50-D80 IonicContact NZ-OD2 3.34Å; M76-D80 WeakPolarHBondContact O-CB 3.45Å; M76-D80 PolarHBondContact O-N 3.1Å; D80-Y82 VanDerWaalsContact C-N 3.31Å; D80-Y82 PolarHBondContact O-N 3.3Å; D80-F83 PolarHBondContact O-N 3.07Å; D80-Q84 WeakPolarHBondContact O-CG 3.3Å; D80-Q84 PolarHBondContact O-N 3.4Å |
| 81 | L | 94.9 | Very high | 94 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 177.2 | -178.4 | 63.4 | 0 | 0 | 0 | 111.1 | K22 F23 A77 L79 F83 Q84 L85 | K22-L81 HydrophobicContact CB-CD1 4.26Å; K22-L81 HydrophobicContact CB-CD2 3.97Å; K22-L81 HydrophobicContact CD-CD2 4.06Å; F23-L81 HydrophobicContact CB-CD1 4.22Å; F23-L81 HydrophobicContact CD2-CD1 4.5Å; A77-L81 PolarHBondContact O-N 2.99Å; A77-L81 VanDerWaalsContact O-N 3.1Å; L79-L81 PolarHBondContact O-N 3.1Å; L81-F83 PolarHBondContact O-N 3.28Å; L81-Q84 PolarHBondContact O-N 2.88Å; L81-L85 HydrophobicContact CD1-CD1 4.38Å; L81-L85 HydrophobicContact CD1-CG 4.2Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.23Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.38Å |
| 82 | Y | 96.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 174 | 166.8 | -93.3 | 0 | 0 | 0 | 112.1 | N3 A6 I7 A78 L79 D80 Q84 L85 C86 | N3-Y82 PolarHBondContact ND2-OH 3.07Å; A6-Y82 HydrophobicContact CB-CD2 4.08Å; A6-Y82 HydrophobicContact CB-CE2 3.75Å; I7-Y82 HydrophobicContact CG1-CD1 4.14Å; I7-Y82 HydrophobicContact CG1-CD2 3.89Å; I7-Y82 HydrophobicContact CG1-CE1 4.44Å; I7-Y82 HydrophobicContact CG1-CE2 4.2Å; I7-Y82 HydrophobicContact CG1-CG 3.86Å; A78-Y82 WeakPolarHBondContact O-CB 3.36Å; A78-Y82 PolarHBondContact O-N 3.11Å; L79-Y82 WeakPolarHBondContact O-CB 3.28Å; L79-Y82 PolarHBondContact O-N 3.33Å; D80-Y82 VanDerWaalsContact C-N 3.31Å; D80-Y82 PolarHBondContact O-N 3.3Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.12Å; Y82-L85 PolarHBondContact O-N 3.43Å; Y82-C86 PolarHBondContact O-N 3.27Å; Y82-C86 PolarHBondContact O-SG 3.5Å |
| 83 | F | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 177.4 | -71.2 | -57.4 | 0 | 0 | 0 | 112.7 | F46 E49 K50 N56 Y57 L79 D80 L81 C86 S87 | F46-F83 HydrophobicContact CD2-CB 3.76Å; F46-F83 HydrophobicContact CE2-CB 3.69Å; E49-F83 HydrophobicContact CB-CD1 4.16Å; E49-F83 WeakPolarHBondContact O-CE1 3.33Å; K50-F83 HydrophobicContact CB-CD2 4.33Å; K50-F83 HydrophobicContact CG-CD2 4.29Å; K50-F83 HydrophobicContact CG-CE2 4.42Å; N56-F83 HydrophobicContact CB-CE1 4.31Å; N56-F83 HydrophobicContact CB-CZ 3.98Å; Y57-F83 HydrophobicContact CE2-CE2 4.28Å; Y57-F83 HydrophobicContact CE2-CZ 4.3Å; L79-F83 HydrophobicContact CD2-CD2 4.35Å; L79-F83 HydrophobicContact CD2-CE2 3.5Å; L79-F83 HydrophobicContact CD2-CZ 4.19Å; L79-F83 HydrophobicContact CG-CD2 4.21Å; L79-F83 HydrophobicContact CG-CE2 3.69Å; L79-F83 HydrophobicContact CG-CZ 4.37Å; L79-F83 WeakPolarHBondContact O-CD2 3.33Å; L79-F83 PolarHBondContact O-N 3.3Å; D80-F83 PolarHBondContact O-N 3.07Å; L81-F83 PolarHBondContact O-N 3.28Å; F83-C86 PolarHBondContact O-N 3.28Å; F83-S87 WeakPolarHBondContact O-CB 3.29Å; F83-S87 PolarHBondContact O-N 3.25Å; F83-S87 PolarHBondContact O-OG 3Å |
| 84 | Q | 95.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.4 | -71.9 | 177.1 | -46.8 | 0 | 0 | 111.1 | F23 F41 F46 D80 L81 Y82 C86 S87 | F23-Q84 HydrophobicContact CD2-CB 3.84Å; F23-Q84 HydrophobicContact CE2-CB 3.92Å; F41-Q84 HydrophobicContact CE2-CB 4.21Å; F41-Q84 HydrophobicContact CE2-CG 4.48Å; F41-Q84 WeakPolarHBondContact CE2-O 3.42Å; F41-Q84 HydrophobicContact CZ-CG 4.48Å; F46-Q84 HydrophobicContact CD2-CG 3.91Å; F46-Q84 HydrophobicContact CE2-CG 3.56Å; F46-Q84 HydrophobicContact CZ-CG 3.99Å; D80-Q84 WeakPolarHBondContact O-CG 3.3Å; D80-Q84 PolarHBondContact O-N 3.4Å; L81-Q84 PolarHBondContact O-N 2.88Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.12Å; Q84-C86 VanDerWaalsContact C-N 3.35Å; Q84-C86 PolarHBondContact O-N 3.35Å; Q84-S87 PolarHBondContact O-N 2.85Å; Q84-S87 VanDerWaalsContact O-N 3.08Å |
| 85 | L | 96 | Very high | 95.7 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -35.6 | 179.9 | -66.9 | 179.3 | 0 | 0 | 0 | 112.7 | I13 F23 V26 L81 Y82 S87 V88 | I13-L85 HydrophobicContact CD1-CD1 4.35Å; F23-L85 HydrophobicContact CD2-CD2 4.21Å; F23-L85 HydrophobicContact CE2-CD2 4.39Å; V26-L85 HydrophobicContact CB-CD2 3.85Å; V26-L85 HydrophobicContact CG1-CD1 4.46Å; V26-L85 HydrophobicContact CG1-CD2 3.48Å; V26-L85 VanDerWaalsContact CG1-CD2 3.48Å; V26-L85 HydrophobicContact CG2-CD2 4.29Å; L81-L85 HydrophobicContact CD1-CD1 4.38Å; L81-L85 HydrophobicContact CD1-CG 4.2Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.23Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.38Å; Y82-L85 PolarHBondContact O-N 3.43Å; L85-S87 PolarHBondContact O-N 3.4Å; L85-V88 WeakPolarHBondContact O-CG2 3.24Å; L85-V88 PolarHBondContact O-N 3.16Å |
| 86 | C | 95.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 36.3 Ų | 36.3 | 49% | 0.493 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.9 | -13.6 | 174.2 | -69 | 0 | 0 | 0 | 0 | 113.6 | Y82 F83 Q84 | Y82-C86 PolarHBondContact O-N 3.27Å; Y82-C86 PolarHBondContact O-SG 3.5Å; F83-C86 PolarHBondContact O-N 3.28Å; Q84-C86 VanDerWaalsContact C-N 3.35Å; Q84-C86 PolarHBondContact O-N 3.35Å |
| 87 | S | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 11.2 | -178.8 | -51 | 0 | 0 | 0 | 0 | 113.1 | S42 F46 F83 Q84 L85 | S42-S87 PolarHBondContact N-O 3.42Å; F46-S87 WeakPolarHBondContact CA-OG 3.45Å; F46-S87 PolarHBondContact N-OG 2.87Å; F83-S87 WeakPolarHBondContact O-CB 3.29Å; F83-S87 PolarHBondContact O-N 3.25Å; F83-S87 PolarHBondContact O-OG 3Å; Q84-S87 PolarHBondContact O-N 2.85Å; Q84-S87 VanDerWaalsContact O-N 3.08Å; L85-S87 PolarHBondContact O-N 3.4Å |
| 88 | V | 96.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.7 | 172.2 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | F23 L27 L30 M39 L85 | F23-V88 HydrophobicContact CE2-CG2 4.17Å; F23-V88 HydrophobicContact CZ-CG2 4.46Å; L27-V88 HydrophobicContact CD1-CG1 4.46Å; L30-V88 HydrophobicContact CD1-CG1 4.33Å; M39-V88 HydrophobicContact CE-CG1 3.25Å; L85-V88 WeakPolarHBondContact O-CG2 3.24Å; L85-V88 PolarHBondContact O-N 3.16Å |
| 89 | E | 96.3 | Very high | 96.7 | Very high | 82 Ų | 82 | 33.7 Ų | 33.7 | 38% | 0.383 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139.8 | -179.4 | -64.9 | -172.5 | 148.1 | 0 | 0 | 111.1 | Y38 G40 S42 | Y38-E89 HydrophobicContact CE1-CB 4.16Å; Y38-E89 PolarHBondContact OH-OE2 3.13Å; G40-E89 PolarHBondContact N-O 3.41Å; G40-E89 PolarHBondContact O-N 2.95Å; S42-E89 WeakPolarHBondContact CB-OE1 3.43Å |
| 90 | V | 96.5 | Very high | 96.9 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.6 | 175 | -61 | 0 | 0 | 0 | 0 | 109.6 | M39 M98 M167 | M39-V90 HydrophobicContact CE-CG1 3.77Å; M39-V90 HydrophobicContact SD-CG1 3.52Å; M39-V90 VanDerWaalsContact SD-CG1 3.52Å; V90-M98 HydrophobicContact CG1-SD 4.29Å; V90-M167 HydrophobicContact CG2-CE 4.45Å |
| 91 | T | 97.5 | Very high | 97.1 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | trans | -89.1 | 168.1 | 167.5 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | Y38 E93 S94 G95 | Y38-T91 HydrophobicContact CD1-CG2 3.77Å; Y38-T91 HydrophobicContact CE1-CG2 4.45Å; Y38-T91 HydrophobicContact CG-CG2 4.16Å; T91-E93 PolarHBondContact O-N 2.75Å; T91-S94 PolarHBondContact N-OG 3.17Å; T91-S94 PolarHBondContact O-OG 2.85Å; T91-S94 VanDerWaalsContact O-OG 3.1Å; T91-S94 PolarHBondContact OG1-N 3.45Å; T91-S94 PolarHBondContact OG1-OG 3.35Å; T91-G95 PolarHBondContact O-N 2.86Å | ||
| 92 | C | 97.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61 | -34.4 | 172 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | S96 M167 L169 | C92-S96 VanDerWaalsContact O-CB 3.27Å; C92-S96 WeakPolarHBondContact O-CB 3.48Å; C92-S96 PolarHBondContact O-N 3.31Å; C92-S96 PolarHBondContact O-OG 3.46Å; C92-M167 HydrophobicContact CB-CG 4.44Å; C92-M167 WeakPolarHBondContact O-CB 3.18Å; C92-L169 WeakPolarHBondContact SG-CB 3.42Å |
| 93 | E | 97.7 | Very high | 97.4 | Very high | 142 Ų | 142 | 33.1 Ų | 33.1 | 66% | 0.664 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -65.8 | -59.2 | 179.2 | -63.4 | 179.8 | 165.6 | 0 | 0 | 110.2 | T91 G95 S96 V97 | T91-E93 PolarHBondContact O-N 2.75Å; E93-G95 VanDerWaalsContact C-N 3.32Å; E93-G95 PolarHBondContact O-N 3.03Å; E93-S96 WeakPolarHBondContact O-CA 3.48Å; E93-S96 WeakPolarHBondContact O-CB 3.09Å; E93-S96 PolarHBondContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 3.1Å; E93-V97 PolarHBondContact O-N 2.96Å; E93-V97 VanDerWaalsContact O-N 3.11Å |
| 94 | S | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -43.8 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | E37 Y38 T91 S96 V97 M98 | E37-S94 WeakPolarHBondContact OE2-CA 3.19Å; E37-S94 PolarHBondContact OE2-N 3.04Å; Y38-S94 VanDerWaalsContact O-CB 3.26Å; Y38-S94 WeakPolarHBondContact O-CB 3.15Å; Y38-S94 PolarHBondContact O-OG 3.48Å; T91-S94 PolarHBondContact N-OG 3.17Å; T91-S94 PolarHBondContact O-OG 2.85Å; T91-S94 VanDerWaalsContact O-OG 3.1Å; T91-S94 PolarHBondContact OG1-N 3.45Å; T91-S94 PolarHBondContact OG1-OG 3.35Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.25Å; S94-V97 PolarHBondContact O-N 3.41Å; S94-M98 WeakPolarHBondContact O-CG 3.45Å; S94-M98 PolarHBondContact O-N 2.88Å |
| 95 | G | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -34.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T91 E93 M98 A99 L157 | T91-G95 PolarHBondContact O-N 2.86Å; E93-G95 VanDerWaalsContact C-N 3.32Å; E93-G95 PolarHBondContact O-N 3.03Å; G95-M98 PolarHBondContact O-N 3.45Å; G95-A99 PolarHBondContact O-N 3.44Å; G95-L157 WeakPolarHBondContact O-CD1 3.46Å |
| 96 | S | 98.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69 | -37.9 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 112 | C92 E93 S94 A99 A100 | C92-S96 VanDerWaalsContact O-CB 3.27Å; C92-S96 WeakPolarHBondContact O-CB 3.48Å; C92-S96 PolarHBondContact O-N 3.31Å; C92-S96 PolarHBondContact O-OG 3.46Å; E93-S96 WeakPolarHBondContact O-CA 3.48Å; E93-S96 WeakPolarHBondContact O-CB 3.09Å; E93-S96 PolarHBondContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 3.1Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.25Å; S96-A99 PolarHBondContact O-N 2.95Å; S96-A100 WeakPolarHBondContact O-CB 3.17Å; S96-A100 PolarHBondContact O-N 3.02Å |
| 97 | V | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | E93 S94 A99 A100 T101 P109 I110 | E93-V97 PolarHBondContact O-N 2.96Å; E93-V97 VanDerWaalsContact O-N 3.11Å; S94-V97 PolarHBondContact O-N 3.41Å; V97-A99 PolarHBondContact O-N 3.23Å; V97-A100 CarbonylContact O-C 3.5Å; V97-A100 PolarHBondContact O-N 3.27Å; V97-A100 VanDerWaalsContact O-N 3.12Å; V97-T101 PolarHBondContact O-N 3.36Å; V97-T101 PolarHBondContact O-OG1 3.31Å; V97-P109 HydrophobicContact CG1-CG 4.24Å; V97-I110 HydrophobicContact CG1-CD1 3.86Å; V97-I110 HydrophobicContact CG1-CG1 3.97Å; V97-I110 HydrophobicContact CG2-CD1 4.22Å |
| 98 | M | 98.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.5 | -64.9 | 172.5 | 77.1 | 0 | 0 | 112.3 | L30 M33 A34 M39 V90 S94 G95 A100 T101 L102 | L30-M98 HydrophobicContact CB-CE 4.12Å; L30-M98 HydrophobicContact CD2-CE 3.5Å; L30-M98 HydrophobicContact CG-CE 4.31Å; M33-M98 HydrophobicContact CB-CG 4.1Å; A34-M98 HydrophobicContact CB-CG 3.75Å; A34-M98 HydrophobicContact CB-SD 4.31Å; M39-M98 HydrophobicContact SD-SD 4.08Å; V90-M98 HydrophobicContact CG1-SD 4.29Å; S94-M98 WeakPolarHBondContact O-CG 3.45Å; S94-M98 PolarHBondContact O-N 2.88Å; G95-M98 PolarHBondContact O-N 3.45Å; M98-A100 VanDerWaalsContact C-N 3.28Å; M98-A100 PolarHBondContact O-N 2.92Å; M98-T101 WeakPolarHBondContact O-CB 3.36Å; M98-T101 PolarHBondContact O-N 3.42Å; M98-L102 PolarHBondContact O-N 3Å |
| 99 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G95 S96 V97 L102 A103 L157 V159 | G95-A99 PolarHBondContact O-N 3.44Å; S96-A99 PolarHBondContact O-N 2.95Å; V97-A99 PolarHBondContact O-N 3.23Å; A99-L102 WeakPolarHBondContact O-CB 3.15Å; A99-L102 PolarHBondContact O-N 3.28Å; A99-A103 PolarHBondContact O-N 3.5Å; A99-L157 HydrophobicContact CB-CD1 3.69Å; A99-L157 HydrophobicContact CB-CG 4.14Å; A99-V159 HydrophobicContact CB-CG2 4.17Å |
| 100 | A | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72 | -32.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S96 V97 M98 L102 A103 N104 P109 | S96-A100 WeakPolarHBondContact O-CB 3.17Å; S96-A100 PolarHBondContact O-N 3.02Å; V97-A100 CarbonylContact O-C 3.5Å; V97-A100 PolarHBondContact O-N 3.27Å; V97-A100 VanDerWaalsContact O-N 3.12Å; M98-A100 VanDerWaalsContact C-N 3.28Å; M98-A100 PolarHBondContact O-N 2.92Å; A100-L102 VanDerWaalsContact C-N 3.28Å; A100-L102 PolarHBondContact O-N 2.97Å; A100-A103 CarbonylContact O-C 3.46Å; A100-A103 WeakPolarHBondContact O-CB 3.43Å; A100-A103 PolarHBondContact O-N 3.4Å; A100-A103 VanDerWaalsContact O-N 3.1Å; A100-N104 VanDerWaalsContact O-CB 3.29Å; A100-N104 WeakPolarHBondContact O-CB 3.49Å; A100-N104 PolarHBondContact O-N 2.84Å; A100-P109 HydrophobicContact CB-CG 3.8Å |
| 101 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 169.4 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | M33 V97 M98 N104 G106 C108 P109 | M33-T101 HydrophobicContact CB-CG2 4.36Å; M33-T101 HydrophobicContact CG-CG2 4.21Å; M33-T101 PolarHBondContact O-OG1 3.37Å; V97-T101 PolarHBondContact O-N 3.36Å; V97-T101 PolarHBondContact O-OG1 3.31Å; M98-T101 WeakPolarHBondContact O-CB 3.36Å; M98-T101 PolarHBondContact O-N 3.42Å; T101-N104 PolarHBondContact O-N 3.29Å; T101-G106 WeakPolarHBondContact O-CA 3.27Å; T101-G106 PolarHBondContact O-N 3.01Å; T101-C108 HydrophobicContact CG2-CB 4.47Å; T101-C108 WeakPolarHBondContact OG1-CA 3.17Å; T101-P109 VanDerWaalsContact OG1-CD 3.24Å; T101-P109 WeakPolarHBondContact OG1-CD 3.33Å |
| 102 | L | 98.4 | Very high | 97.8 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 172 | -62.4 | 174.8 | 0 | 0 | 0 | 111.9 | M33 M98 A99 A100 N104 G105 L116 V121 L125 M128 L157 V159 | M33-L102 HydrophobicContact CE-CD2 3.93Å; M33-L102 HydrophobicContact CE-CG 4.06Å; M98-L102 PolarHBondContact O-N 3Å; A99-L102 WeakPolarHBondContact O-CB 3.15Å; A99-L102 PolarHBondContact O-N 3.28Å; A100-L102 VanDerWaalsContact C-N 3.28Å; A100-L102 PolarHBondContact O-N 2.97Å; L102-N104 PolarHBondContact O-N 3.47Å; L102-G105 PolarHBondContact O-N 3.45Å; L102-L116 HydrophobicContact CD2-CD1 3.83Å; L102-V121 HydrophobicContact CD2-CG1 4.39Å; L102-V121 HydrophobicContact CD2-CG2 4.24Å; L102-V121 WeakPolarHBondContact O-CG1 3.33Å; L102-L125 HydrophobicContact CB-CD2 4.24Å; L102-M128 HydrophobicContact CD1-SD 4.34Å; L102-L157 HydrophobicContact CD1-CD2 4.41Å; L102-V159 HydrophobicContact CB-CG1 4.42Å; L102-V159 HydrophobicContact CB-CG2 4.24Å; L102-V159 HydrophobicContact CD1-CG2 4.28Å |
| 103 | A | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -32.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A99 A100 G105 V159 N162 M164 | A99-A103 PolarHBondContact O-N 3.5Å; A100-A103 CarbonylContact O-C 3.46Å; A100-A103 WeakPolarHBondContact O-CB 3.43Å; A100-A103 PolarHBondContact O-N 3.4Å; A100-A103 VanDerWaalsContact O-N 3.1Å; A103-G105 VanDerWaalsContact C-N 3.34Å; A103-V159 HydrophobicContact CB-CG1 3.77Å; A103-N162 PolarHBondContact O-N 3.09Å; A103-M164 WeakPolarHBondContact CB-O 3.3Å |
| 104 | N | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 35.3 Ų | 35.3 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 29.4 | -177.3 | -165.5 | 39.4 | 0 | 0 | 0 | 112.9 | A100 T101 L102 G106 I107 | A100-N104 VanDerWaalsContact O-CB 3.29Å; A100-N104 WeakPolarHBondContact O-CB 3.49Å; A100-N104 PolarHBondContact O-N 2.84Å; T101-N104 PolarHBondContact O-N 3.29Å; L102-N104 PolarHBondContact O-N 3.47Å; N104-G106 PolarHBondContact O-N 3.44Å; N104-G106 VanDerWaalsContact O-N 3.15Å; N104-I107 WeakPolarHBondContact CB-O 3.45Å; N104-I107 PolarHBondContact ND2-O 3.06Å; N104-I107 PolarHBondContact O-N 3.49Å |
| 105 | G | 97.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 17.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L102 A103 | L102-G105 PolarHBondContact O-N 3.45Å; A103-G105 VanDerWaalsContact C-N 3.34Å |
| 106 | G | 97 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | 1.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T101 N104 V115 L116 | T101-G106 WeakPolarHBondContact O-CA 3.27Å; T101-G106 PolarHBondContact O-N 3.01Å; N104-G106 PolarHBondContact O-N 3.44Å; N104-G106 VanDerWaalsContact O-N 3.15Å; G106-V115 PolarHBondContact O-N 2.72Å; G106-L116 PolarHBondContact O-N 2.96Å; G106-L116 VanDerWaalsContact O-N 3.1Å |
| 107 | I | 98.3 | Very high | 97.7 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -96.4 | 124.4 | 175.1 | -57.2 | 171.9 | 0 | 0 | 0 | 108.7 | N104 E113 | N104-I107 WeakPolarHBondContact CB-O 3.45Å; N104-I107 PolarHBondContact ND2-O 3.06Å; N104-I107 PolarHBondContact O-N 3.49Å; I107-E113 CarbonylContact C-O 3.58Å; I107-E113 WeakPolarHBondContact CA-O 3.47Å |
| 108 | C | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -64.7 | 127.2 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | T101 I110 T111 G112 E113 V115 | T101-C108 HydrophobicContact CG2-CB 4.47Å; T101-C108 WeakPolarHBondContact OG1-CA 3.17Å; C108-I110 VanDerWaalsContact C-N 3.33Å; C108-I110 PolarHBondContact O-N 3.32Å; C108-T111 VanDerWaalsContact CB-OG1 3.23Å; C108-T111 WeakPolarHBondContact CB-OG1 3.43Å; C108-T111 PolarHBondContact SG-OG1 3.21Å; C108-G112 WeakPolarHBondContact O-CA 3.5Å; C108-G112 PolarHBondContact O-N 2.83Å; C108-E113 PolarHBondContact N-O 2.92Å; C108-V115 HydrophobicContact CB-CG2 4.14Å | ||
| 109 | P | 97.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26.9 | -170.9 | 28.7 | -36.7 | 0 | 0 | 0 | 113.4 | V97 A100 T101 | V97-P109 HydrophobicContact CG1-CG 4.24Å; A100-P109 HydrophobicContact CB-CG 3.8Å; T101-P109 VanDerWaalsContact OG1-CD 3.24Å; T101-P109 WeakPolarHBondContact OG1-CD 3.33Å |
| 110 | I | 97.3 | Very high | 97.7 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -20.5 | -177.2 | 63.9 | 175.4 | 0 | 0 | 0 | 113.4 | V97 C108 | V97-I110 HydrophobicContact CG1-CD1 3.86Å; V97-I110 HydrophobicContact CG1-CG1 3.97Å; V97-I110 HydrophobicContact CG2-CD1 4.22Å; C108-I110 VanDerWaalsContact C-N 3.33Å; C108-I110 PolarHBondContact O-N 3.32Å |
| 111 | T | 97.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -22.9 | 178.5 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | C108 E113 | C108-T111 VanDerWaalsContact CB-OG1 3.23Å; C108-T111 WeakPolarHBondContact CB-OG1 3.43Å; C108-T111 PolarHBondContact SG-OG1 3.21Å; T111-E113 PolarHBondContact O-N 3.48Å; T111-E113 PolarHBondContact OG1-N 3.24Å |
| 112 | G | 96.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | trans | 73.9 | 4.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C108 | C108-G112 WeakPolarHBondContact O-CA 3.5Å; C108-G112 PolarHBondContact O-N 2.83Å | ||
| 113 | E | 97.2 | Very high | 97.6 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -72.7 | 133.9 | 178.9 | -170.5 | -179.1 | 172.5 | 0 | 0 | 111.1 | K32 I107 C108 T111 V115 | K32-E113 WeakPolarHBondContact CD-OE1 3.34Å; K32-E113 WeakPolarHBondContact CE-OE1 3.43Å; K32-E113 IonicContact NZ-OE1 2.72Å; K32-E113 PolarHBondContact NZ-OE1 3.49Å; I107-E113 CarbonylContact C-O 3.58Å; I107-E113 WeakPolarHBondContact CA-O 3.47Å; C108-E113 PolarHBondContact N-O 2.92Å; T111-E113 PolarHBondContact O-N 3.48Å; T111-E113 PolarHBondContact OG1-N 3.24Å; E113-V115 HydrophobicContact CB-CG2 4.4Å; E113-V115 HydrophobicContact CG-CG2 4.46Å; E113-V115 WeakPolarHBondContact O-CG2 2.99Å; E113-V115 PolarHBondContact O-N 3.01Å | ||
| 114 | S | 96.9 | Very high | 97.6 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 63% | 0.629 | 36% | 0.359 | S | S | * | . | B | Isolated β-bridge | trans | -77.2 | 98.1 | 170.3 | 175.8 | 0 | 0 | 0 | 0 | 110 | ||
| 115 | V | 97.1 | Very high | 97.6 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | trans | -90.2 | -41.5 | -174.2 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | Y29 K32 M33 G106 C108 E113 | Y29-V115 HydrophobicContact CD1-CG1 3.97Å; Y29-V115 HydrophobicContact CE1-CG1 4.44Å; Y29-V115 WeakPolarHBondContact CE1-O 3.43Å; K32-V115 HydrophobicContact CB-CB 4.49Å; K32-V115 HydrophobicContact CB-CG1 3.75Å; K32-V115 HydrophobicContact CB-CG2 3.88Å; M33-V115 HydrophobicContact CG-CB 4.31Å; M33-V115 HydrophobicContact CG-CG1 3.66Å; G106-V115 PolarHBondContact O-N 2.72Å; C108-V115 HydrophobicContact CB-CG2 4.14Å; E113-V115 HydrophobicContact CB-CG2 4.4Å; E113-V115 HydrophobicContact CG-CG2 4.46Å; E113-V115 WeakPolarHBondContact O-CG2 2.99Å; E113-V115 PolarHBondContact O-N 3.01Å | ||
| 116 | L | 97.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -124.1 | 151.6 | -176.4 | -62.2 | 175.4 | 0 | 0 | 0 | 111 | Y29 M33 L102 G106 V121 | Y29-L116 HydrophobicContact CD1-CD2 4.28Å; Y29-L116 HydrophobicContact CE1-CD2 4.49Å; M33-L116 HydrophobicContact CE-CD1 3.76Å; M33-L116 HydrophobicContact SD-CD1 3.81Å; M33-L116 HydrophobicContact SD-CG 4.34Å; L102-L116 HydrophobicContact CD2-CD1 3.83Å; G106-L116 PolarHBondContact O-N 2.96Å; G106-L116 VanDerWaalsContact O-N 3.1Å; L116-V121 HydrophobicContact CB-CG2 3.76Å; L116-V121 HydrophobicContact CD1-CG2 4.1Å |
| 117 | S | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | trans | -70.8 | 143.3 | 170.6 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | E119 A120 V121 | S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 VanDerWaalsContact O-N 3.16Å; S117-A120 PolarHBondContact O-N 3.12Å; S117-A120 WeakPolarHBondContact OG-CB 3.26Å; S117-A120 PolarHBondContact OG-N 2.83Å; S117-V121 WeakPolarHBondContact O-CG2 3.5Å; S117-V121 PolarHBondContact O-N 3.1Å; S117-V121 VanDerWaalsContact O-N 3.08Å | ||
| 118 | A | 97 | Very high | 97.7 | Very high | 70 Ų | 70 | 60.6 Ų | 60.6 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.8 | -31.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V121 R122 | A118-V121 PolarHBondContact O-N 3.38Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 PolarHBondContact O-N 3.37Å |
| 119 | E | 98.4 | Very high | 97.7 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.7 | -48.9 | 173.9 | -178.2 | -179.5 | -177 | 0 | 0 | 112 | S117 V121 R122 N123 | S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 VanDerWaalsContact O-N 3.16Å; E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 2.82Å; E119-R122 PolarHBondContact O-N 2.93Å; E119-N123 WeakPolarHBondContact O-CB 3.36Å; E119-N123 PolarHBondContact O-N 3.34Å; E119-N123 PolarHBondContact O-ND2 2.9Å; E119-N123 PolarHBondContact O-OD1 3.45Å |
| 120 | A | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | S117 T124 | S117-A120 PolarHBondContact O-N 3.12Å; S117-A120 WeakPolarHBondContact OG-CB 3.26Å; S117-A120 PolarHBondContact OG-N 2.83Å; A120-T124 VanDerWaalsContact O-CB 3.3Å; A120-T124 WeakPolarHBondContact O-CB 3.11Å; A120-T124 PolarHBondContact O-N 3.11Å; A120-T124 PolarHBondContact O-OG1 3.21Å |
| 121 | V | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -50.7 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 111 | L102 L116 S117 A118 E119 N123 T124 L125 | L102-V121 HydrophobicContact CD2-CG1 4.39Å; L102-V121 HydrophobicContact CD2-CG2 4.24Å; L102-V121 WeakPolarHBondContact O-CG1 3.33Å; L116-V121 HydrophobicContact CB-CG2 3.76Å; L116-V121 HydrophobicContact CD1-CG2 4.1Å; S117-V121 WeakPolarHBondContact O-CG2 3.5Å; S117-V121 PolarHBondContact O-N 3.1Å; S117-V121 VanDerWaalsContact O-N 3.08Å; A118-V121 PolarHBondContact O-N 3.38Å; E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 2.82Å; V121-N123 VanDerWaalsContact C-N 3.35Å; V121-N123 PolarHBondContact O-N 2.89Å; V121-T124 PolarHBondContact O-N 3.17Å; V121-L125 HydrophobicContact CG1-CD1 3.91Å; V121-L125 HydrophobicContact CG1-CG 4.34Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.03Å |
| 122 | R | 98.3 | Very high | 97.5 | Very high | 154 Ų | 154 | 57.2 Ų | 57.2 | 58% | 0.581 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.3 | -50.3 | 176.6 | -180 | -175.9 | 65.1 | -162.7 | -3.2 | 111.4 | A118 E119 T124 L125 S126 | A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 PolarHBondContact O-N 3.37Å; E119-R122 PolarHBondContact O-N 2.93Å; R122-T124 VanDerWaalsContact C-N 3.29Å; R122-T124 PolarHBondContact O-N 2.91Å; R122-L125 PolarHBondContact O-N 3.24Å; R122-S126 PolarHBondContact O-N 3.2Å; R122-S126 PolarHBondContact O-OG 3.19Å; R122-S126 VanDerWaalsContact O-OG 3.1Å |
| 123 | N | 98.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | -178.5 | -64.4 | -7.9 | 0 | 0 | 0 | 111.1 | E119 V121 L127 | E119-N123 WeakPolarHBondContact O-CB 3.36Å; E119-N123 PolarHBondContact O-N 3.34Å; E119-N123 PolarHBondContact O-ND2 2.9Å; E119-N123 PolarHBondContact O-OD1 3.45Å; V121-N123 VanDerWaalsContact C-N 3.35Å; V121-N123 PolarHBondContact O-N 2.89Å; N123-L127 WeakPolarHBondContact O-CG 3.32Å; N123-L127 PolarHBondContact O-N 3.01Å; N123-L127 VanDerWaalsContact O-N 3.12Å |
| 124 | T | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | A120 V121 R122 S126 L127 M128 | A120-T124 VanDerWaalsContact O-CB 3.3Å; A120-T124 WeakPolarHBondContact O-CB 3.11Å; A120-T124 PolarHBondContact O-N 3.11Å; A120-T124 PolarHBondContact O-OG1 3.21Å; V121-T124 PolarHBondContact O-N 3.17Å; R122-T124 VanDerWaalsContact C-N 3.29Å; R122-T124 PolarHBondContact O-N 2.91Å; T124-S126 PolarHBondContact O-N 2.95Å; T124-L127 PolarHBondContact O-N 3.41Å; T124-M128 HydrophobicContact CG2-CG 4.33Å; T124-M128 HydrophobicContact CG2-SD 3.94Å; T124-M128 WeakPolarHBondContact O-CB 3.44Å; T124-M128 VanDerWaalsContact O-CG 3.3Å; T124-M128 WeakPolarHBondContact O-CG 3.39Å; T124-M128 PolarHBondContact O-N 2.89Å |
| 125 | L | 98.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | -179.9 | -68 | 176.3 | 0 | 0 | 0 | 112.3 | L102 V121 R122 L127 M128 H129 P147 V159 P161 | L102-L125 HydrophobicContact CB-CD2 4.24Å; V121-L125 HydrophobicContact CG1-CD1 3.91Å; V121-L125 HydrophobicContact CG1-CG 4.34Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.03Å; R122-L125 PolarHBondContact O-N 3.24Å; L125-L127 PolarHBondContact O-N 3.35Å; L125-M128 HydrophobicContact CD2-SD 4.16Å; L125-M128 PolarHBondContact O-N 3.02Å; L125-H129 PolarHBondContact O-N 3.47Å; L125-P147 HydrophobicContact CB-CB 4.4Å; L125-P147 HydrophobicContact CB-CG 4.31Å; L125-P147 HydrophobicContact CD2-CB 3.93Å; L125-P147 HydrophobicContact CD2-CG 4.28Å; L125-V159 HydrophobicContact CD2-CB 3.82Å; L125-V159 HydrophobicContact CD2-CG1 3.68Å; L125-V159 HydrophobicContact CD2-CG2 3.94Å; L125-P161 HydrophobicContact CD1-CG 4.35Å |
| 126 | S | 97.9 | Very high | 97.1 | Very high | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | R122 T124 H129 S130 | R122-S126 PolarHBondContact O-N 3.2Å; R122-S126 PolarHBondContact O-OG 3.19Å; R122-S126 VanDerWaalsContact O-OG 3.1Å; T124-S126 PolarHBondContact O-N 2.95Å; S126-H129 WeakPolarHBondContact O-CB 3.42Å; S126-H129 PolarHBondContact O-N 2.95Å; S126-S130 PolarHBondContact O-N 2.89Å; S126-S130 PolarHBondContact O-OG 3.09Å |
| 127 | L | 98.1 | Very high | 97 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.9 | -32.1 | 177.4 | -69.2 | 173.8 | 0 | 0 | 0 | 112.9 | M1 N123 T124 L125 H129 C131 | M1-L127 HydrophobicContact CE-CB 3.73Å; M1-L127 HydrophobicContact CG-CB 4.41Å; N123-L127 WeakPolarHBondContact O-CG 3.32Å; N123-L127 PolarHBondContact O-N 3.01Å; N123-L127 VanDerWaalsContact O-N 3.12Å; T124-L127 PolarHBondContact O-N 3.41Å; L125-L127 PolarHBondContact O-N 3.35Å; L127-H129 VanDerWaalsContact C-N 3.33Å; L127-C131 WeakPolarHBondContact O-CA 3.39Å; L127-C131 WeakPolarHBondContact O-CB 3.42Å; L127-C131 PolarHBondContact O-N 2.94Å |
| 128 | M | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 172.5 | -75.8 | 174 | 68.7 | 0 | 0 | 110.7 | M1 L102 T124 L125 G132 P147 K149 L157 V159 | M1-M128 HydrophobicContact CE-CB 4.44Å; M1-M128 HydrophobicContact CE-CG 3.6Å; L102-M128 HydrophobicContact CD1-SD 4.34Å; T124-M128 HydrophobicContact CG2-CG 4.33Å; T124-M128 HydrophobicContact CG2-SD 3.94Å; T124-M128 WeakPolarHBondContact O-CB 3.44Å; T124-M128 VanDerWaalsContact O-CG 3.3Å; T124-M128 WeakPolarHBondContact O-CG 3.39Å; T124-M128 PolarHBondContact O-N 2.89Å; L125-M128 HydrophobicContact CD2-SD 4.16Å; L125-M128 PolarHBondContact O-N 3.02Å; M128-G132 VanDerWaalsContact O-CA 3.31Å; M128-G132 WeakPolarHBondContact O-CA 3Å; M128-G132 PolarHBondContact O-N 2.83Å; M128-P147 HydrophobicContact CB-CB 3.89Å; M128-K149 HydrophobicContact CE-CB 4.27Å; M128-L157 HydrophobicContact CE-CD2 4.12Å; M128-V159 HydrophobicContact CE-CG2 3.98Å |
| 129 | H | 97.6 | Very high | 96.8 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 177.4 | -177.6 | 74.8 | 0 | 0 | 0 | 111.9 | L125 S126 L127 A141 | L125-H129 PolarHBondContact O-N 3.47Å; S126-H129 WeakPolarHBondContact O-CB 3.42Å; S126-H129 PolarHBondContact O-N 2.95Å; L127-H129 VanDerWaalsContact C-N 3.33Å; H129-A141 WeakPolarHBondContact O-CB 3.25Å |
| 130 | S | 96.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -86.3 | -25.2 | -174.9 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | S126 S137 | S126-S130 PolarHBondContact O-N 2.89Å; S126-S130 PolarHBondContact O-OG 3.09Å; S130-S137 VanDerWaalsContact O-CB 3.25Å; S130-S137 WeakPolarHBondContact O-CB 3.31Å |
| 131 | C | 96.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -134.7 | 11.2 | -167.4 | -52.6 | 0 | 0 | 0 | 0 | 114.3 | M1 L127 | M1-C131 HydrophobicContact CB-CB 3.77Å; M1-C131 WeakPolarHBondContact CB-O 3.12Å; M1-C131 HydrophobicContact CG-CB 3.85Å; L127-C131 WeakPolarHBondContact O-CA 3.39Å; L127-C131 WeakPolarHBondContact O-CB 3.42Å; L127-C131 PolarHBondContact O-N 2.94Å |
| 132 | G | 94.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -82.8 | -24.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | M128 S137 A148 K149 S150 | M128-G132 VanDerWaalsContact O-CA 3.31Å; M128-G132 WeakPolarHBondContact O-CA 3Å; M128-G132 PolarHBondContact O-N 2.83Å; G132-S137 PolarHBondContact N-OG 2.62Å; G132-A148 VanDerWaalsContact CA-O 3.23Å; G132-A148 WeakPolarHBondContact CA-O 3.27Å; G132-K149 WeakPolarHBondContact O-CA 3.43Å; G132-K149 VanDerWaalsContact O-CD 3.27Å; G132-K149 WeakPolarHBondContact O-CD 3.5Å; G132-K149 WeakPolarHBondContact O-CE 3.26Å; G132-K149 PolarHBondContact O-NZ 3.1Å; G132-S150 PolarHBondContact O-N 3.29Å |
| 133 | M | 95.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -116.4 | 40.2 | -167.3 | -57 | -60.8 | -70.7 | 0 | 0 | 112.8 | F136 S137 F140 A148 S150 I156 N178 T183 | M133-F136 HydrophobicContact CB-CB 4.47Å; M133-F136 WeakPolarHBondContact O-CA 3.29Å; M133-F136 VanDerWaalsContact O-CB 3.3Å; M133-F136 WeakPolarHBondContact O-CB 3.23Å; M133-F136 PolarHBondContact O-N 2.92Å; M133-F136 VanDerWaalsContact O-N 3.1Å; M133-S137 PolarHBondContact N-OG 3.41Å; M133-S137 PolarHBondContact O-N 3.33Å; M133-F140 HydrophobicContact CB-CB 4.34Å; M133-F140 HydrophobicContact CB-CG 4.48Å; M133-F140 HydrophobicContact CE-CD2 4.4Å; M133-F140 HydrophobicContact CE-CE2 4.27Å; M133-F140 HydrophobicContact CG-CB 4.18Å; M133-F140 HydrophobicContact CG-CD1 3.9Å; M133-F140 HydrophobicContact CG-CD2 4.21Å; M133-F140 HydrophobicContact CG-CE1 4.33Å; M133-F140 HydrophobicContact CG-CG 3.83Å; M133-A148 HydrophobicContact CG-CB 4.19Å; M133-A148 HydrophobicContact SD-CB 3.64Å; M133-S150 PolarHBondContact SD-N 2.86Å; M133-S150 VanDerWaalsContact SD-N 3.36Å; M133-I156 HydrophobicContact CE-CD1 3.8Å; M133-I156 HydrophobicContact CE-CG1 4.15Å; M133-I156 HydrophobicContact CE-CG2 4.02Å; M133-I156 HydrophobicContact SD-CG2 4.31Å; M133-N178 PolarHBondContact O-ND2 3.2Å; M133-N178 VanDerWaalsContact O-ND2 3.16Å; M133-T183 HydrophobicContact CE-CG2 4.22Å |
| 134 | Y | 94.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 53.8 | -140.6 | -174.5 | -53.1 | -66.1 | 0 | 0 | 0 | 111.4 | F136 S137 L176 G177 N178 | Y134-F136 PolarHBondContact O-N 3.36Å; Y134-S137 PolarHBondContact N-OG 3.06Å; Y134-S137 WeakPolarHBondContact O-CB 3.3Å; Y134-S137 PolarHBondContact O-N 2.87Å; Y134-S137 PolarHBondContact O-OG 2.84Å; Y134-L176 WeakPolarHBondContact CD2-O 3.45Å; Y134-G177 VanDerWaalsContact CE2-O 3.3Å; Y134-G177 WeakPolarHBondContact CE2-O 3.24Å; Y134-N178 VanDerWaalsContact CD2-OD1 3.28Å; Y134-N178 WeakPolarHBondContact CD2-OD1 3.45Å |
| 135 | D | 94.7 | Very high | 96.4 | Very high | 146 Ų | 146 | 50.1 Ų | 50.1 | 78% | 0.781 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -66.6 | -16.8 | 179 | -62.1 | -15.8 | 0 | 0 | 0 | 112.4 | S137 | D135-S137 VanDerWaalsContact C-N 3.25Å; D135-S137 PolarHBondContact O-N 2.84Å |
| 136 | F | 95 | Very high | 96.4 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -78.3 | -4.9 | 173.9 | -163 | -119.4 | 0 | 0 | 0 | 113.3 | M133 Y134 G138 Q139 F140 L176 N178 | M133-F136 HydrophobicContact CB-CB 4.47Å; M133-F136 WeakPolarHBondContact O-CA 3.29Å; M133-F136 VanDerWaalsContact O-CB 3.3Å; M133-F136 WeakPolarHBondContact O-CB 3.23Å; M133-F136 PolarHBondContact O-N 2.92Å; M133-F136 VanDerWaalsContact O-N 3.1Å; Y134-F136 PolarHBondContact O-N 3.36Å; F136-G138 VanDerWaalsContact C-N 3.33Å; F136-G138 PolarHBondContact O-N 3.16Å; F136-Q139 HydrophobicContact CD2-CB 3.86Å; F136-Q139 HydrophobicContact CE2-CB 3.7Å; F136-Q139 HydrophobicContact CZ-CB 4.28Å; F136-Q139 PolarHBondContact O-N 3.1Å; F136-F140 HydrophobicContact CD1-CB 3.85Å; F136-F140 HydrophobicContact CD1-CD2 4.1Å; F136-F140 HydrophobicContact CD1-CG 4.46Å; F136-F140 HydrophobicContact CE1-CB 4.03Å; F136-F140 AromaticContact CE1-CD2 3.88Å; F136-F140 HydrophobicContact CE1-CD2 3.88Å; F136-F140 HydrophobicContact CE1-CG 4.47Å; F136-F140 VanDerWaalsContact O-CB 3.29Å; F136-F140 WeakPolarHBondContact O-CB 3.3Å; F136-F140 PolarHBondContact O-N 3.26Å; F136-L176 HydrophobicContact CB-CD1 3.93Å; F136-L176 HydrophobicContact CD2-CD1 4.03Å; F136-L176 HydrophobicContact CG-CD1 4.35Å; F136-N178 VanDerWaalsContact CB-ND2 3.34Å; F136-N178 WeakPolarHBondContact CB-ND2 3.27Å |
| 137 | S | 95.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -43.4 | -174.9 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | S130 G132 M133 Y134 D135 F140 A141 | S130-S137 VanDerWaalsContact O-CB 3.25Å; S130-S137 WeakPolarHBondContact O-CB 3.31Å; G132-S137 PolarHBondContact N-OG 2.62Å; M133-S137 PolarHBondContact N-OG 3.41Å; M133-S137 PolarHBondContact O-N 3.33Å; Y134-S137 PolarHBondContact N-OG 3.06Å; Y134-S137 WeakPolarHBondContact O-CB 3.3Å; Y134-S137 PolarHBondContact O-N 2.87Å; Y134-S137 PolarHBondContact O-OG 2.84Å; D135-S137 VanDerWaalsContact C-N 3.25Å; D135-S137 PolarHBondContact O-N 2.84Å; S137-F140 PolarHBondContact O-N 3.25Å; S137-A141 VanDerWaalsContact O-CB 3.24Å; S137-A141 WeakPolarHBondContact O-CB 3.32Å; S137-A141 PolarHBondContact O-N 3.05Å |
| 138 | G | 95.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 55% | 0.546 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | F136 A141 F142 | F136-G138 VanDerWaalsContact C-N 3.33Å; F136-G138 PolarHBondContact O-N 3.16Å; G138-A141 PolarHBondContact O-N 3.19Å; G138-F142 WeakPolarHBondContact O-CB 3.39Å; G138-F142 PolarHBondContact O-N 2.62Å; G138-F142 VanDerWaalsContact O-N 3.07Å |
| 139 | Q | 95.7 | Very high | 96.4 | Very high | 113 Ų | 113 | 43.8 Ų | 43.8 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.7 | -38.5 | 177.4 | -68.2 | -177.1 | 1.2 | 0 | 0 | 111.5 | F136 F142 H143 | F136-Q139 HydrophobicContact CD2-CB 3.86Å; F136-Q139 HydrophobicContact CE2-CB 3.7Å; F136-Q139 HydrophobicContact CZ-CB 4.28Å; F136-Q139 PolarHBondContact O-N 3.1Å; Q139-F142 PolarHBondContact O-N 3.29Å; Q139-H143 WeakPolarHBondContact O-CB 3.47Å; Q139-H143 PolarHBondContact O-CD2 3.44Å; Q139-H143 VanDerWaalsContact O-CD2 3.26Å; Q139-H143 PolarHBondContact O-N 2.94Å |
| 140 | F | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 175.5 | -168.5 | -90.7 | 0 | 0 | 0 | 111.5 | M133 F136 S137 F142 V144 G145 L146 A148 L158 C186 | M133-F140 HydrophobicContact CB-CB 4.34Å; M133-F140 HydrophobicContact CB-CG 4.48Å; M133-F140 HydrophobicContact CE-CD2 4.4Å; M133-F140 HydrophobicContact CE-CE2 4.27Å; M133-F140 HydrophobicContact CG-CB 4.18Å; M133-F140 HydrophobicContact CG-CD1 3.9Å; M133-F140 HydrophobicContact CG-CD2 4.21Å; M133-F140 HydrophobicContact CG-CE1 4.33Å; M133-F140 HydrophobicContact CG-CG 3.83Å; F136-F140 HydrophobicContact CD1-CB 3.85Å; F136-F140 HydrophobicContact CD1-CD2 4.1Å; F136-F140 HydrophobicContact CD1-CG 4.46Å; F136-F140 HydrophobicContact CE1-CB 4.03Å; F136-F140 AromaticContact CE1-CD2 3.88Å; F136-F140 HydrophobicContact CE1-CD2 3.88Å; F136-F140 HydrophobicContact CE1-CG 4.47Å; F136-F140 VanDerWaalsContact O-CB 3.29Å; F136-F140 WeakPolarHBondContact O-CB 3.3Å; F136-F140 PolarHBondContact O-N 3.26Å; S137-F140 PolarHBondContact O-N 3.25Å; F140-F142 PolarHBondContact O-N 3.48Å; F140-V144 HydrophobicContact CD1-CB 4.24Å; F140-V144 HydrophobicContact CD2-CB 4.25Å; F140-V144 HydrophobicContact CD2-CG2 3.87Å; F140-V144 HydrophobicContact CE1-CB 4.05Å; F140-V144 HydrophobicContact CE1-CG1 4Å; F140-V144 HydrophobicContact CE2-CB 4.08Å; F140-V144 HydrophobicContact CE2-CG1 4.16Å; F140-V144 HydrophobicContact CE2-CG2 3.78Å; F140-V144 HydrophobicContact CG-CB 4.34Å; F140-V144 HydrophobicContact CG-CG2 4.36Å; F140-V144 HydrophobicContact CZ-CB 3.98Å; F140-V144 HydrophobicContact CZ-CG1 3.72Å; F140-V144 HydrophobicContact CZ-CG2 4.18Å; F140-V144 WeakPolarHBondContact O-CA 3.47Å; F140-V144 WeakPolarHBondContact O-CB 3.28Å; F140-V144 PolarHBondContact O-N 3.41Å; F140-G145 PolarHBondContact O-N 2.85Å; F140-L146 VanDerWaalsContact CE1-O 3.29Å; F140-L146 WeakPolarHBondContact CE1-O 3.48Å; F140-A148 HydrophobicContact CD1-CB 4.35Å; F140-A148 HydrophobicContact CE1-CB 3.49Å; F140-A148 VanDerWaalsContact CE1-CB 3.49Å; F140-A148 HydrophobicContact CZ-CB 3.77Å; F140-L158 HydrophobicContact CE1-CD1 4.5Å; F140-L158 HydrophobicContact CZ-CD1 4.18Å; F140-C186 HydrophobicContact CE2-CB 3.85Å; F140-C186 HydrophobicContact CZ-CB 3.99Å |
| 141 | A | 97.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 41 Ų | 41 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -34.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H129 S137 G138 G145 | H129-A141 WeakPolarHBondContact O-CB 3.25Å; S137-A141 VanDerWaalsContact O-CB 3.24Å; S137-A141 WeakPolarHBondContact O-CB 3.32Å; S137-A141 PolarHBondContact O-N 3.05Å; G138-A141 PolarHBondContact O-N 3.19Å; A141-G145 WeakPolarHBondContact O-CA 3.46Å; A141-G145 PolarHBondContact O-N 3.47Å |
| 142 | F | 96.7 | Very high | 96.2 | Very high | 154 Ų | 154 | 43 Ų | 43 | 68% | 0.675 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -80.2 | -42.5 | 179.7 | -176.2 | -98.6 | 0 | 0 | 0 | 113.7 | G138 Q139 F140 H196 | G138-F142 WeakPolarHBondContact O-CB 3.39Å; G138-F142 PolarHBondContact O-N 2.62Å; G138-F142 VanDerWaalsContact O-N 3.07Å; Q139-F142 PolarHBondContact O-N 3.29Å; F140-F142 PolarHBondContact O-N 3.48Å; F142-H196 PolarHBondContact O-NE2 3.07Å |
| 143 | H | 95.4 | Very high | 96.2 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -90.9 | -36 | -174.6 | -70.7 | -63.1 | 0 | 0 | 0 | 113.9 | Q139 | Q139-H143 WeakPolarHBondContact O-CB 3.47Å; Q139-H143 PolarHBondContact O-CD2 3.44Å; Q139-H143 VanDerWaalsContact O-CD2 3.26Å; Q139-H143 PolarHBondContact O-N 2.94Å |
| 144 | V | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -39.3 | -178.8 | -176 | 0 | 0 | 0 | 0 | 110.4 | F140 L146 C186 Q187 V190 H196 | F140-V144 HydrophobicContact CD1-CB 4.24Å; F140-V144 HydrophobicContact CD2-CB 4.25Å; F140-V144 HydrophobicContact CD2-CG2 3.87Å; F140-V144 HydrophobicContact CE1-CB 4.05Å; F140-V144 HydrophobicContact CE1-CG1 4Å; F140-V144 HydrophobicContact CE2-CB 4.08Å; F140-V144 HydrophobicContact CE2-CG1 4.16Å; F140-V144 HydrophobicContact CE2-CG2 3.78Å; F140-V144 HydrophobicContact CG-CB 4.34Å; F140-V144 HydrophobicContact CG-CG2 4.36Å; F140-V144 HydrophobicContact CZ-CB 3.98Å; F140-V144 HydrophobicContact CZ-CG1 3.72Å; F140-V144 HydrophobicContact CZ-CG2 4.18Å; F140-V144 WeakPolarHBondContact O-CA 3.47Å; F140-V144 WeakPolarHBondContact O-CB 3.28Å; F140-V144 PolarHBondContact O-N 3.41Å; V144-L146 HydrophobicContact CG1-CB 4.12Å; V144-L146 HydrophobicContact CG1-CD1 4.09Å; V144-L146 HydrophobicContact CG1-CG 4.18Å; V144-L146 PolarHBondContact O-N 3.38Å; V144-C186 HydrophobicContact CG1-CB 4.06Å; V144-C186 HydrophobicContact CG2-CB 4.4Å; V144-Q187 HydrophobicContact CG2-CG 3.85Å; V144-V190 HydrophobicContact CG1-CG2 3.79Å; V144-H196 PolarHBondContact O-CD2 3.04Å |
| 145 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | 71 | 9.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F140 A141 H196 N197 | F140-G145 PolarHBondContact O-N 2.85Å; A141-G145 WeakPolarHBondContact O-CA 3.46Å; A141-G145 PolarHBondContact O-N 3.47Å; G145-H196 WeakPolarHBondContact CA-NE2 3.3Å; G145-N197 WeakPolarHBondContact O-CB 3.33Å; G145-N197 PolarHBondContact O-N 3.49Å | ||
| 146 | L | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | -102.6 | 143.6 | -179.3 | -69.1 | 174 | 0 | 0 | 0 | 111.5 | F140 V144 A148 L158 V160 L189 V190 F195 | F140-L146 VanDerWaalsContact CE1-O 3.29Å; F140-L146 WeakPolarHBondContact CE1-O 3.48Å; V144-L146 HydrophobicContact CG1-CB 4.12Å; V144-L146 HydrophobicContact CG1-CD1 4.09Å; V144-L146 HydrophobicContact CG1-CG 4.18Å; V144-L146 PolarHBondContact O-N 3.38Å; L146-A148 PolarHBondContact O-N 2.86Å; L146-L158 HydrophobicContact CB-CD1 3.69Å; L146-L158 HydrophobicContact CD1-CD1 3.99Å; L146-L158 HydrophobicContact CD1-CD2 4.24Å; L146-L158 HydrophobicContact CD1-CG 4.36Å; L146-V160 HydrophobicContact CD1-CG2 4.06Å; L146-V160 HydrophobicContact CD2-CB 4.42Å; L146-V160 HydrophobicContact CD2-CG1 4.27Å; L146-V160 HydrophobicContact CD2-CG2 4Å; L146-L189 HydrophobicContact CD1-CD2 4.36Å; L146-V190 HydrophobicContact CD1-CG2 3.82Å; L146-V190 HydrophobicContact CG-CG2 4.33Å; L146-F195 WeakPolarHBondContact CD2-O 3.49Å | ||
| 147 | P | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | trans | -62.1 | 122.9 | 166.5 | -21 | 31.7 | 0 | 0 | 0 | 110.7 | L125 M128 V159 P161 | L125-P147 HydrophobicContact CB-CB 4.4Å; L125-P147 HydrophobicContact CB-CG 4.31Å; L125-P147 HydrophobicContact CD2-CB 3.93Å; L125-P147 HydrophobicContact CD2-CG 4.28Å; M128-P147 HydrophobicContact CB-CB 3.89Å; P147-V159 HydrophobicContact CB-CB 4.43Å; P147-V159 WeakPolarHBondContact CD-O 3.49Å; P147-V159 PolarHBondContact O-N 3.46Å; P147-P161 HydrophobicContact CG-CG 4.26Å | ||
| 148 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G132 M133 F140 L146 I156 L157 L158 | G132-A148 VanDerWaalsContact CA-O 3.23Å; G132-A148 WeakPolarHBondContact CA-O 3.27Å; M133-A148 HydrophobicContact CG-CB 4.19Å; M133-A148 HydrophobicContact SD-CB 3.64Å; F140-A148 HydrophobicContact CD1-CB 4.35Å; F140-A148 HydrophobicContact CE1-CB 3.49Å; F140-A148 VanDerWaalsContact CE1-CB 3.49Å; F140-A148 HydrophobicContact CZ-CB 3.77Å; L146-A148 PolarHBondContact O-N 2.86Å; A148-I156 HydrophobicContact CB-CG2 4.24Å; A148-L157 CarbonylContact C-O 3.58Å; A148-L157 WeakPolarHBondContact CA-O 3.34Å; A148-L158 HydrophobicContact CB-CD1 3.85Å |
| 149 | K | 97.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 123.6 | 167.6 | -174 | 76.9 | -156.9 | 70.4 | 0 | 109.9 | M1 M128 G132 I156 L157 | M1-K149 HydrophobicContact SD-CD 3.94Å; M128-K149 HydrophobicContact CE-CB 4.27Å; G132-K149 WeakPolarHBondContact O-CA 3.43Å; G132-K149 VanDerWaalsContact O-CD 3.27Å; G132-K149 WeakPolarHBondContact O-CD 3.5Å; G132-K149 WeakPolarHBondContact O-CE 3.26Å; G132-K149 PolarHBondContact O-NZ 3.1Å; K149-I156 WeakPolarHBondContact O-CA 2.96Å; K149-L157 PolarHBondContact N-O 3.3Å; K149-L157 PolarHBondContact O-N 2.98Å |
| 150 | S | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 148.9 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | G132 M133 N178 | G132-S150 PolarHBondContact O-N 3.29Å; M133-S150 PolarHBondContact SD-N 2.86Å; M133-S150 VanDerWaalsContact SD-N 3.36Å; S150-N178 WeakPolarHBondContact CB-OD1 3.45Å; S150-N178 PolarHBondContact OG-OD1 3.38Å |
| 151 | A | 94.8 | Very high | 97 | Very high | 36 Ų | 36 | 30.7 Ų | 30.7 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | trans | -127.4 | 150.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S153 G154 A155 | A151-S153 PolarHBondContact O-N 2.78Å; A151-G154 PolarHBondContact O-N 2.99Å; A151-A155 HydrophobicContact CB-CB 4.29Å; A151-A155 PolarHBondContact N-O 2.88Å | ||
| 152 | V | 94.5 | Very high | 97 | Very high | 98 Ų | 98 | 37.1 Ų | 37.1 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -14.6 | 177.9 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | G154 L173 | V152-G154 PolarHBondContact O-N 2.92Å; V152-L173 HydrophobicContact CB-CD1 4.47Å; V152-L173 WeakPolarHBondContact O-CD1 3.27Å |
| 153 | S | 94.4 | Very high | 97 | Very high | 72 Ų | 72 | 32.5 Ų | 32.5 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.5 | 168.6 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | A151 A155 | A151-S153 PolarHBondContact O-N 2.78Å; S153-A155 VanDerWaalsContact C-N 3.34Å |
| 154 | G | 95.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 83.6 | 11.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A151 V152 S170 S179 | A151-G154 PolarHBondContact O-N 2.99Å; V152-G154 PolarHBondContact O-N 2.92Å; G154-S170 WeakPolarHBondContact CA-O 3.41Å; G154-S170 PolarHBondContact O-N 3.33Å; G154-S179 VanDerWaalsContact O-CB 3.27Å; G154-S179 WeakPolarHBondContact O-CB 3.14Å; G154-S179 PolarHBondContact O-OG 2.88Å |
| 155 | A | 97.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A151 S153 M167 C168 L169 | A151-A155 HydrophobicContact CB-CB 4.29Å; A151-A155 PolarHBondContact N-O 2.88Å; S153-A155 VanDerWaalsContact C-N 3.34Å; A155-M167 HydrophobicContact CB-SD 3.99Å; A155-C168 CarbonylContact C-O 3.41Å; A155-C168 VanDerWaalsContact CA-O 3.26Å; A155-C168 WeakPolarHBondContact CA-O 3.34Å; A155-L169 HydrophobicContact CB-CD1 4.03Å |
| 156 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113.1 | 169.8 | -60 | 178.6 | 0 | 0 | 0 | 107.9 | M133 A148 K149 M167 C168 T183 | M133-I156 HydrophobicContact CE-CD1 3.8Å; M133-I156 HydrophobicContact CE-CG1 4.15Å; M133-I156 HydrophobicContact CE-CG2 4.02Å; M133-I156 HydrophobicContact SD-CG2 4.31Å; A148-I156 HydrophobicContact CB-CG2 4.24Å; K149-I156 WeakPolarHBondContact O-CA 2.96Å; I156-M167 VanDerWaalsContact C-SD 3.55Å; I156-M167 VanDerWaalsContact O-SD 3.36Å; I156-C168 HydrophobicContact CB-CB 4.47Å; I156-C168 PolarHBondContact N-O 3.02Å; I156-C168 PolarHBondContact O-N 3.36Å; I156-T183 HydrophobicContact CD1-CG2 3.95Å |
| 157 | L | 98.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.1 | 168.9 | -170.7 | 79.9 | 0 | 0 | 0 | 107.9 | G95 A99 L102 M128 A148 K149 M167 | G95-L157 WeakPolarHBondContact O-CD1 3.46Å; A99-L157 HydrophobicContact CB-CD1 3.69Å; A99-L157 HydrophobicContact CB-CG 4.14Å; L102-L157 HydrophobicContact CD1-CD2 4.41Å; M128-L157 HydrophobicContact CE-CD2 4.12Å; A148-L157 CarbonylContact C-O 3.58Å; A148-L157 WeakPolarHBondContact CA-O 3.34Å; K149-L157 PolarHBondContact N-O 3.3Å; K149-L157 PolarHBondContact O-N 2.98Å; L157-M167 HydrophobicContact CB-CE 4.13Å; L157-M167 HydrophobicContact CB-SD 4.46Å; L157-M167 HydrophobicContact CD1-CE 3.44Å; L157-M167 VanDerWaalsContact CD1-CE 3.44Å; L157-M167 HydrophobicContact CD1-SD 4.49Å; L157-M167 HydrophobicContact CG-CE 4.42Å |
| 158 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.8 | -176.7 | -177.8 | 71.1 | 0 | 0 | 0 | 109.9 | F140 L146 A148 M166 L189 | F140-L158 HydrophobicContact CE1-CD1 4.5Å; F140-L158 HydrophobicContact CZ-CD1 4.18Å; L146-L158 HydrophobicContact CB-CD1 3.69Å; L146-L158 HydrophobicContact CD1-CD1 3.99Å; L146-L158 HydrophobicContact CD1-CD2 4.24Å; L146-L158 HydrophobicContact CD1-CG 4.36Å; A148-L158 HydrophobicContact CB-CD1 3.85Å; L158-M166 HydrophobicContact CB-CB 4.32Å; L158-M166 HydrophobicContact CD2-SD 4.36Å; L158-M166 PolarHBondContact N-O 3.24Å; L158-M166 PolarHBondContact O-N 3.18Å; L158-M166 VanDerWaalsContact O-O 3.11Å; L158-L189 HydrophobicContact CD2-CD2 4.07Å |
| 159 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.1 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | A99 L102 A103 L125 M128 P147 | A99-V159 HydrophobicContact CB-CG2 4.17Å; L102-V159 HydrophobicContact CB-CG1 4.42Å; L102-V159 HydrophobicContact CB-CG2 4.24Å; L102-V159 HydrophobicContact CD1-CG2 4.28Å; A103-V159 HydrophobicContact CB-CG1 3.77Å; L125-V159 HydrophobicContact CD2-CB 3.82Å; L125-V159 HydrophobicContact CD2-CG1 3.68Å; L125-V159 HydrophobicContact CD2-CG2 3.94Å; M128-V159 HydrophobicContact CE-CG2 3.98Å; P147-V159 HydrophobicContact CB-CB 4.43Å; P147-V159 WeakPolarHBondContact CD-O 3.49Å; P147-V159 PolarHBondContact O-N 3.46Å |
| 160 | V | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 97.3 | 166.5 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | L146 N162 V163 M164 F195 | L146-V160 HydrophobicContact CD1-CG2 4.06Å; L146-V160 HydrophobicContact CD2-CB 4.42Å; L146-V160 HydrophobicContact CD2-CG1 4.27Å; L146-V160 HydrophobicContact CD2-CG2 4Å; V160-N162 PolarHBondContact O-N 3.19Å; V160-V163 HydrophobicContact CB-CB 4.12Å; V160-V163 HydrophobicContact CG1-CB 3.7Å; V160-V163 HydrophobicContact CG1-CG1 4.33Å; V160-V163 HydrophobicContact CG1-CG2 3.9Å; V160-V163 PolarHBondContact O-N 2.86Å; V160-M164 CarbonylContact C-O 3.58Å; V160-M164 WeakPolarHBondContact CA-O 3.43Å; V160-M164 HydrophobicContact CB-CG 4.1Å; V160-M164 HydrophobicContact CG2-CE 4.04Å; V160-M164 HydrophobicContact CG2-CG 4.14Å; V160-M164 PolarHBondContact N-O 3.18Å; V160-M164 PolarHBondContact O-N 3.23Å; V160-M164 VanDerWaalsContact O-O 3.06Å; V160-F195 HydrophobicContact CG1-CB 4.23Å; V160-F195 HydrophobicContact CG1-CD1 4.01Å; V160-F195 HydrophobicContact CG1-CG 4.17Å |
| 161 | P | 97.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.1 | -172 | -26.2 | 34.8 | 0 | 0 | 0 | 112.6 | L125 P147 V163 | L125-P161 HydrophobicContact CD1-CG 4.35Å; P147-P161 HydrophobicContact CG-CG 4.26Å; P161-V163 PolarHBondContact O-N 2.96Å |
| 162 | N | 96.6 | Very high | 97.2 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 79% | 0.791 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 14.4 | -176.7 | -44.8 | -66.6 | 0 | 0 | 0 | 115.4 | A103 V160 | A103-N162 PolarHBondContact O-N 3.09Å; V160-N162 PolarHBondContact O-N 3.19Å |
| 163 | V | 96.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -65.6 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 111 | V160 P161 F195 | V160-V163 HydrophobicContact CB-CB 4.12Å; V160-V163 HydrophobicContact CG1-CB 3.7Å; V160-V163 HydrophobicContact CG1-CG1 4.33Å; V160-V163 HydrophobicContact CG1-CG2 3.9Å; V160-V163 PolarHBondContact O-N 2.86Å; P161-V163 PolarHBondContact O-N 2.96Å; V163-F195 HydrophobicContact CG1-CE1 4.05Å; V163-F195 HydrophobicContact CG1-CZ 4.42Å |
| 164 | M | 97.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 29% | 0.291 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 164.1 | -174.7 | 64 | -179.7 | 177.4 | 0 | 0 | 112.4 | A103 V160 M166 F195 | A103-M164 WeakPolarHBondContact CB-O 3.3Å; V160-M164 CarbonylContact C-O 3.58Å; V160-M164 WeakPolarHBondContact CA-O 3.43Å; V160-M164 HydrophobicContact CB-CG 4.1Å; V160-M164 HydrophobicContact CG2-CE 4.04Å; V160-M164 HydrophobicContact CG2-CG 4.14Å; V160-M164 PolarHBondContact N-O 3.18Å; V160-M164 PolarHBondContact O-N 3.23Å; V160-M164 VanDerWaalsContact O-O 3.06Å; M164-M166 HydrophobicContact CE-CG 4.33Å; M164-M166 HydrophobicContact CE-SD 3.53Å; M164-M166 VanDerWaalsContact CE-SD 3.53Å; M164-M166 HydrophobicContact CG-CG 4.43Å; M164-M166 HydrophobicContact SD-CG 4.24Å; M164-M166 HydrophobicContact SD-SD 4.08Å; M164-F195 HydrophobicContact CE-CD2 4.24Å; M164-F195 HydrophobicContact CE-CE2 3.73Å; M164-F195 HydrophobicContact CE-CZ 4.22Å |
| 165 | G | 97.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 166 | M | 98.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 21% | 0.212 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.3 | -178.6 | -56.5 | -177.2 | 74.6 | 0 | 0 | 110.6 | L158 M164 F185 L189 | L158-M166 HydrophobicContact CB-CB 4.32Å; L158-M166 HydrophobicContact CD2-SD 4.36Å; L158-M166 PolarHBondContact N-O 3.24Å; L158-M166 PolarHBondContact O-N 3.18Å; L158-M166 VanDerWaalsContact O-O 3.11Å; M164-M166 HydrophobicContact CE-CG 4.33Å; M164-M166 HydrophobicContact CE-SD 3.53Å; M164-M166 VanDerWaalsContact CE-SD 3.53Å; M164-M166 HydrophobicContact CG-CG 4.43Å; M164-M166 HydrophobicContact SD-CG 4.24Å; M164-M166 HydrophobicContact SD-SD 4.08Å; M166-F185 HydrophobicContact CE-CE1 3.7Å; M166-F185 HydrophobicContact CE-CZ 3.73Å; M166-F185 HydrophobicContact SD-CE1 4.4Å; M166-L189 HydrophobicContact SD-CD2 4.24Å |
| 167 | M | 98.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 16% | 0.163 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.7 | 168.9 | -179.1 | 64.2 | 82 | 0 | 0 | 108.7 | V90 C92 A155 I156 L157 | V90-M167 HydrophobicContact CG2-CE 4.45Å; C92-M167 HydrophobicContact CB-CG 4.44Å; C92-M167 WeakPolarHBondContact O-CB 3.18Å; A155-M167 HydrophobicContact CB-SD 3.99Å; I156-M167 VanDerWaalsContact C-SD 3.55Å; I156-M167 VanDerWaalsContact O-SD 3.36Å; L157-M167 HydrophobicContact CB-CE 4.13Å; L157-M167 HydrophobicContact CB-SD 4.46Å; L157-M167 HydrophobicContact CD1-CE 3.44Å; L157-M167 VanDerWaalsContact CD1-CE 3.44Å; L157-M167 HydrophobicContact CD1-SD 4.49Å; L157-M167 HydrophobicContact CG-CE 4.42Å |
| 168 | C | 97.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.7 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | A155 I156 | A155-C168 CarbonylContact C-O 3.41Å; A155-C168 VanDerWaalsContact CA-O 3.26Å; A155-C168 WeakPolarHBondContact CA-O 3.34Å; I156-C168 HydrophobicContact CB-CB 4.47Å; I156-C168 PolarHBondContact N-O 3.02Å; I156-C168 PolarHBondContact O-N 3.36Å |
| 169 | L | 97.5 | Very high | 96.7 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 52% | 0.518 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.3 | 176.1 | -179.3 | 63.9 | 0 | 0 | 0 | 110.4 | C92 A155 | C92-L169 WeakPolarHBondContact SG-CB 3.42Å; A155-L169 HydrophobicContact CB-CD1 4.03Å |
| 170 | S | 97.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | trans | -153.7 | 104.8 | 169.8 | 158.1 | 0 | 0 | 0 | 0 | 108.3 | G154 P172 S179 | G154-S170 WeakPolarHBondContact CA-O 3.41Å; G154-S170 PolarHBondContact O-N 3.33Å; S170-P172 VanDerWaalsContact C-CD 3.43Å; S170-S179 WeakPolarHBondContact CB-OG 3.41Å; S170-S179 WeakPolarHBondContact O-CB 3.3Å; S170-S179 PolarHBondContact O-OG 3.31Å; S170-S179 PolarHBondContact OG-OG 3.07Å | ||
| 171 | P | 96.4 | Very high | 96.4 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | trans | -54.5 | -35.1 | -174.8 | -28.1 | 35.1 | 0 | 0 | 0 | 116.5 | L173 | P171-L173 WeakPolarHBondContact O-CG 3.29Å; P171-L173 PolarHBondContact O-N 3.48Å; P171-L173 VanDerWaalsContact O-N 3.14Å | ||
| 172 | P | 97.5 | Very high | 96.4 | Very high | 87 Ų | 87 | 66.2 Ų | 66.2 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | trans | -61.4 | 117.5 | 176.5 | -26.5 | 36.3 | 0 | 0 | 0 | 112.7 | S170 H180 | S170-P172 VanDerWaalsContact C-CD 3.43Å; P172-H180 PolarHBondContact O-N 3.26Å; P172-H180 VanDerWaalsContact O-N 3.12Å | ||
| 173 | L | 96.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -95.9 | 152.8 | -179.3 | -53.4 | -177.2 | 0 | 0 | 0 | 112.1 | V152 P171 N178 | V152-L173 HydrophobicContact CB-CD1 4.47Å; V152-L173 WeakPolarHBondContact O-CD1 3.27Å; P171-L173 WeakPolarHBondContact O-CG 3.29Å; P171-L173 PolarHBondContact O-N 3.48Å; P171-L173 VanDerWaalsContact O-N 3.14Å; L173-N178 CarbonylContact C-O 3.45Å; L173-N178 VanDerWaalsContact CA-O 3.3Å; L173-N178 WeakPolarHBondContact CA-O 3.42Å |
| 174 | D | 94.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | trans | -79.5 | 179.5 | 166.2 | 69.8 | 17.9 | 0 | 0 | 0 | 111.9 | L176 G177 N178 | D174-L176 PolarHBondContact O-N 2.86Å; D174-L176 VanDerWaalsContact O-N 3.15Å; D174-L176 WeakPolarHBondContact OD1-CA 3.34Å; D174-L176 WeakPolarHBondContact OD1-CB 3.45Å; D174-L176 PolarHBondContact OD1-N 2.88Å; D174-G177 PolarHBondContact O-N 3.33Å; D174-G177 VanDerWaalsContact O-N 3.14Å; D174-G177 PolarHBondContact OD1-N 2.86Å; D174-N178 VanDerWaalsContact CG-O 3.31Å; D174-N178 PolarHBondContact N-O 3.14Å; D174-N178 PolarHBondContact OD1-N 2.96Å | ||
| 175 | K | 94.8 | Very high | 96.4 | Very high | 216 Ų | 216 | 60.4 Ų | 60.4 | 94% | 0.939 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.4 | 179.5 | -62.6 | -177.5 | -178.7 | 179.6 | 0 | 113.8 | ||
| 176 | L | 93.4 | Very high | 96.3 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 1.1 | -179 | -57.9 | 178.6 | 0 | 0 | 0 | 112.1 | Y134 F136 D174 | Y134-L176 WeakPolarHBondContact CD2-O 3.45Å; F136-L176 HydrophobicContact CB-CD1 3.93Å; F136-L176 HydrophobicContact CD2-CD1 4.03Å; F136-L176 HydrophobicContact CG-CD1 4.35Å; D174-L176 PolarHBondContact O-N 2.86Å; D174-L176 VanDerWaalsContact O-N 3.15Å; D174-L176 WeakPolarHBondContact OD1-CA 3.34Å; D174-L176 WeakPolarHBondContact OD1-CB 3.45Å; D174-L176 PolarHBondContact OD1-N 2.88Å |
| 177 | G | 92.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 85.3 | 12.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y134 D174 | Y134-G177 VanDerWaalsContact CE2-O 3.3Å; Y134-G177 WeakPolarHBondContact CE2-O 3.24Å; D174-G177 PolarHBondContact O-N 3.33Å; D174-G177 VanDerWaalsContact O-N 3.14Å; D174-G177 PolarHBondContact OD1-N 2.86Å |
| 178 | N | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -98.2 | 150.4 | 176.8 | -61.4 | -57.2 | 0 | 0 | 0 | 111.9 | M133 Y134 F136 S150 L173 D174 H180 T183 | M133-N178 PolarHBondContact O-ND2 3.2Å; M133-N178 VanDerWaalsContact O-ND2 3.16Å; Y134-N178 VanDerWaalsContact CD2-OD1 3.28Å; Y134-N178 WeakPolarHBondContact CD2-OD1 3.45Å; F136-N178 VanDerWaalsContact CB-ND2 3.34Å; F136-N178 WeakPolarHBondContact CB-ND2 3.27Å; S150-N178 WeakPolarHBondContact CB-OD1 3.45Å; S150-N178 PolarHBondContact OG-OD1 3.38Å; L173-N178 CarbonylContact C-O 3.45Å; L173-N178 VanDerWaalsContact CA-O 3.3Å; L173-N178 WeakPolarHBondContact CA-O 3.42Å; D174-N178 VanDerWaalsContact CG-O 3.31Å; D174-N178 PolarHBondContact N-O 3.14Å; D174-N178 PolarHBondContact OD1-N 2.96Å; N178-H180 PolarHBondContact O-N 2.83Å; N178-T183 HydrophobicContact CB-CG2 3.86Å |
| 179 | S | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 122.8 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | G154 S170 G182 T183 | G154-S179 VanDerWaalsContact O-CB 3.27Å; G154-S179 WeakPolarHBondContact O-CB 3.14Å; G154-S179 PolarHBondContact O-OG 2.88Å; S170-S179 WeakPolarHBondContact CB-OG 3.41Å; S170-S179 WeakPolarHBondContact O-CB 3.3Å; S170-S179 PolarHBondContact O-OG 3.31Å; S170-S179 PolarHBondContact OG-OG 3.07Å; S179-G182 PolarHBondContact O-N 3.15Å; S179-G182 PolarHBondContact OG-N 2.74Å; S179-T183 WeakPolarHBondContact O-CG2 3.31Å; S179-T183 PolarHBondContact O-N 3.27Å; S179-T183 PolarHBondContact O-OG1 2.89Å; S179-T183 VanDerWaalsContact O-OG1 3.1Å |
| 180 | H | 94.7 | Very high | 96.1 | Very high | 122 Ų | 122 | 62.3 Ų | 62.3 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | -175.5 | -172.8 | 70.2 | 0 | 0 | 0 | 112.9 | P172 N178 T183 S184 | P172-H180 PolarHBondContact O-N 3.26Å; P172-H180 VanDerWaalsContact O-N 3.12Å; N178-H180 PolarHBondContact O-N 2.83Å; H180-T183 PolarHBondContact O-OG1 3.23Å; H180-T183 VanDerWaalsContact O-OG1 3.12Å; H180-S184 WeakPolarHBondContact O-CB 3.48Å; H180-S184 PolarHBondContact O-N 3.02Å |
| 181 | R | 96.7 | Very high | 95.9 | Very high | 187 Ų | 187 | 66.2 Ų | 66.2 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.6 | -35.3 | 178.1 | -64.5 | 178.7 | 66 | -173.3 | -0.4 | 111.5 | S184 F185 | R181-S184 PolarHBondContact O-N 3.2Å; R181-F185 WeakPolarHBondContact O-CB 3.48Å; R181-F185 PolarHBondContact O-N 3.26Å |
| 182 | G | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S179 F185 C186 | S179-G182 PolarHBondContact O-N 3.15Å; S179-G182 PolarHBondContact OG-N 2.74Å; G182-F185 PolarHBondContact O-N 3.2Å; G182-C186 PolarHBondContact O-N 2.8Å; G182-C186 VanDerWaalsContact O-N 3.07Å; G182-C186 PolarHBondContact O-SG 3.45Å |
| 183 | T | 95.9 | Very high | 95.6 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 112 | M133 I156 N178 S179 H180 F185 C186 Q187 | M133-T183 HydrophobicContact CE-CG2 4.22Å; I156-T183 HydrophobicContact CD1-CG2 3.95Å; N178-T183 HydrophobicContact CB-CG2 3.86Å; S179-T183 WeakPolarHBondContact O-CG2 3.31Å; S179-T183 PolarHBondContact O-N 3.27Å; S179-T183 PolarHBondContact O-OG1 2.89Å; S179-T183 VanDerWaalsContact O-OG1 3.1Å; H180-T183 PolarHBondContact O-OG1 3.23Å; H180-T183 VanDerWaalsContact O-OG1 3.12Å; T183-F185 VanDerWaalsContact C-N 3.32Å; T183-F185 PolarHBondContact O-N 3.34Å; T183-C186 PolarHBondContact O-N 2.71Å; T183-Q187 WeakPolarHBondContact O-CG 3.39Å; T183-Q187 PolarHBondContact O-N 2.88Å; T183-Q187 VanDerWaalsContact O-N 3.08Å |
| 184 | S | 97.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.1 | -173 | 0 | 0 | 0 | 0 | 112.2 | H180 R181 Q187 K188 | H180-S184 WeakPolarHBondContact O-CB 3.48Å; H180-S184 PolarHBondContact O-N 3.02Å; R181-S184 PolarHBondContact O-N 3.2Å; S184-Q187 PolarHBondContact O-N 3.19Å; S184-K188 WeakPolarHBondContact O-CG 3.42Å; S184-K188 PolarHBondContact O-N 2.77Å; S184-K188 VanDerWaalsContact O-N 3.09Å |
| 185 | F | 97.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 39% | 0.386 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 174 | 175.8 | -94.9 | 0 | 0 | 0 | 111.6 | M166 R181 G182 T183 Q187 K188 L189 | M166-F185 HydrophobicContact CE-CE1 3.7Å; M166-F185 HydrophobicContact CE-CZ 3.73Å; M166-F185 HydrophobicContact SD-CE1 4.4Å; R181-F185 WeakPolarHBondContact O-CB 3.48Å; R181-F185 PolarHBondContact O-N 3.26Å; G182-F185 PolarHBondContact O-N 3.2Å; T183-F185 VanDerWaalsContact C-N 3.32Å; T183-F185 PolarHBondContact O-N 3.34Å; F185-Q187 VanDerWaalsContact C-N 3.3Å; F185-Q187 PolarHBondContact O-N 3.08Å; F185-K188 PolarHBondContact O-N 2.72Å; F185-L189 HydrophobicContact CZ-CD1 4.44Å; F185-L189 WeakPolarHBondContact O-CB 3.2Å; F185-L189 PolarHBondContact O-N 3.43Å |
| 186 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 179.2 | -65 | 0 | 0 | 0 | 0 | 112.6 | F140 V144 G182 T183 L189 V190 | F140-C186 HydrophobicContact CE2-CB 3.85Å; F140-C186 HydrophobicContact CZ-CB 3.99Å; V144-C186 HydrophobicContact CG1-CB 4.06Å; V144-C186 HydrophobicContact CG2-CB 4.4Å; G182-C186 PolarHBondContact O-N 2.8Å; G182-C186 VanDerWaalsContact O-N 3.07Å; G182-C186 PolarHBondContact O-SG 3.45Å; T183-C186 PolarHBondContact O-N 2.71Å; C186-L189 WeakPolarHBondContact O-CB 3.41Å; C186-L189 PolarHBondContact O-N 3.36Å; C186-V190 PolarHBondContact O-N 2.83Å |
| 187 | Q | 96.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 38% | 0.379 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 177 | -71.6 | 174.9 | -15.5 | 0 | 0 | 112.8 | V144 T183 S184 F185 L189 S191 | V144-Q187 HydrophobicContact CG2-CG 3.85Å; T183-Q187 WeakPolarHBondContact O-CG 3.39Å; T183-Q187 PolarHBondContact O-N 2.88Å; T183-Q187 VanDerWaalsContact O-N 3.08Å; S184-Q187 PolarHBondContact O-N 3.19Å; F185-Q187 VanDerWaalsContact C-N 3.3Å; F185-Q187 PolarHBondContact O-N 3.08Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-S191 WeakPolarHBondContact O-CB 3.41Å; Q187-S191 PolarHBondContact O-N 2.89Å; Q187-S191 PolarHBondContact O-OG 2.87Å |
| 188 | K | 96.9 | Very high | 95.9 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 62% | 0.622 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 176.3 | -72.2 | -179.9 | -177.7 | -177.5 | 0 | 111.7 | S184 F185 V190 S191 L192 | S184-K188 WeakPolarHBondContact O-CG 3.42Å; S184-K188 PolarHBondContact O-N 2.77Å; S184-K188 VanDerWaalsContact O-N 3.09Å; F185-K188 PolarHBondContact O-N 2.72Å; K188-V190 PolarHBondContact O-N 3.34Å; K188-S191 PolarHBondContact O-N 3.31Å; K188-L192 PolarHBondContact O-N 3.49Å; K188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 96.6 | Very high | 95.7 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -51.5 | 176.9 | -176 | 74.2 | 0 | 0 | 0 | 111.1 | L146 L158 M166 F185 C186 Q187 S191 L192 F193 F195 | L146-L189 HydrophobicContact CD1-CD2 4.36Å; L158-L189 HydrophobicContact CD2-CD2 4.07Å; M166-L189 HydrophobicContact SD-CD2 4.24Å; F185-L189 HydrophobicContact CZ-CD1 4.44Å; F185-L189 WeakPolarHBondContact O-CB 3.2Å; F185-L189 PolarHBondContact O-N 3.43Å; C186-L189 WeakPolarHBondContact O-CB 3.41Å; C186-L189 PolarHBondContact O-N 3.36Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; L189-S191 VanDerWaalsContact C-N 3.35Å; L189-L192 PolarHBondContact O-N 3.33Å; L189-F193 HydrophobicContact CD1-CD2 3.77Å; L189-F193 HydrophobicContact CD1-CE2 4.1Å; L189-F193 HydrophobicContact CG-CD2 4.44Å; L189-F193 WeakPolarHBondContact O-CB 3.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.44Å; L189-F193 PolarHBondContact O-N 3.44Å; L189-F195 HydrophobicContact CD1-CD2 4.45Å; L189-F195 HydrophobicContact CD2-CD2 4.45Å; L189-F195 HydrophobicContact CG-CD2 4.24Å |
| 190 | V | 95.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -78.1 | -20.9 | -177.4 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | V144 L146 C186 K188 L192 F193 H196 K207 | V144-V190 HydrophobicContact CG1-CG2 3.79Å; L146-V190 HydrophobicContact CD1-CG2 3.82Å; L146-V190 HydrophobicContact CG-CG2 4.33Å; C186-V190 PolarHBondContact O-N 2.83Å; K188-V190 PolarHBondContact O-N 3.34Å; V190-L192 VanDerWaalsContact C-N 3.33Å; V190-F193 CarbonylContact C-O 3.58Å; V190-H196 HydrophobicContact CG1-CB 3.61Å; V190-K207 VanDerWaalsContact O-CE 3.3Å; V190-K207 WeakPolarHBondContact O-CE 3.26Å; V190-K207 PolarHBondContact O-NZ 3.29Å |
| 191 | S | 94.1 | Very high | 95 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.3 | -35.8 | 168.7 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | Q187 K188 L189 | Q187-S191 WeakPolarHBondContact O-CB 3.41Å; Q187-S191 PolarHBondContact O-N 2.89Å; Q187-S191 PolarHBondContact O-OG 2.87Å; K188-S191 PolarHBondContact O-N 3.31Å; L189-S191 VanDerWaalsContact C-N 3.35Å |
| 192 | L | 94.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88.7 | -38.9 | -178.6 | -176.2 | 61.8 | 0 | 0 | 0 | 113.1 | K188 L189 V190 K207 L208 | K188-L192 PolarHBondContact O-N 3.49Å; K188-L192 VanDerWaalsContact O-N 3.09Å; L189-L192 PolarHBondContact O-N 3.33Å; V190-L192 VanDerWaalsContact C-N 3.33Å; L192-K207 CarbonylContact O-C 3.59Å; L192-K207 WeakPolarHBondContact O-CA 3.45Å; L192-K207 WeakPolarHBondContact O-CB 3.21Å; L192-L208 HydrophobicContact CD1-CD1 3.97Å; L192-L208 HydrophobicContact CD1-CG 4.46Å; L192-L208 HydrophobicContact CG-CD1 4.17Å; L192-L208 PolarHBondContact O-N 2.7Å |
| 193 | F | 94.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 70 Ų | 70 | 21% | 0.211 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 149.2 | -173.9 | -62.3 | -77.9 | 0 | 0 | 0 | 112.6 | L189 V190 F195 K207 L208 P210 | L189-F193 HydrophobicContact CD1-CD2 3.77Å; L189-F193 HydrophobicContact CD1-CE2 4.1Å; L189-F193 HydrophobicContact CG-CD2 4.44Å; L189-F193 WeakPolarHBondContact O-CB 3.47Å; L189-F193 WeakPolarHBondContact O-CD2 3.44Å; L189-F193 PolarHBondContact O-N 3.44Å; V190-F193 CarbonylContact C-O 3.58Å; F193-F195 HydrophobicContact CB-CD2 3.38Å; F193-F195 HydrophobicContact CB-CE2 3.5Å; F193-F195 VanDerWaalsContact CB-CE2 3.5Å; F193-F195 HydrophobicContact CB-CG 3.96Å; F193-F195 HydrophobicContact CB-CZ 4.17Å; F193-F195 HydrophobicContact CD1-CE2 4.19Å; F193-F195 HydrophobicContact CD1-CZ 4.47Å; F193-F195 HydrophobicContact CD2-CD2 4.41Å; F193-F195 HydrophobicContact CD2-CE2 4.09Å; F193-F195 HydrophobicContact CG-CD2 4.04Å; F193-F195 AromaticContact CG-CE2 3.68Å; F193-F195 HydrophobicContact CG-CE2 3.68Å; F193-F195 HydrophobicContact CG-CZ 4.35Å; F193-F195 PolarHBondContact O-N 3.14Å; F193-K207 WeakPolarHBondContact O-CD 3.5Å; F193-L208 VanDerWaalsContact CA-O 3.29Å; F193-L208 WeakPolarHBondContact CA-O 3.29Å; F193-L208 HydrophobicContact CD1-CB 3.62Å; F193-L208 HydrophobicContact CE1-CB 3.76Å; F193-L208 HydrophobicContact CE1-CD1 4.11Å; F193-P210 HydrophobicContact CD1-CG 3.59Å; F193-P210 HydrophobicContact CE1-CG 3.58Å |
| 194 | N | 94.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -78.9 | 47.5 | 177.8 | 70.9 | -20.6 | 0 | 0 | 0 | 113.3 | D199 C204 K207 L208 D209 R211 | N194-D199 WeakPolarHBondContact CA-OD2 3.47Å; N194-D199 HydrophobicContact CB-CB 4.35Å; N194-C204 HydrophobicContact CB-CB 4.45Å; N194-K207 HydrophobicContact CB-CB 4.16Å; N194-K207 HydrophobicContact CB-CD 4.4Å; N194-L208 PolarHBondContact N-O 3.08Å; N194-L208 VanDerWaalsContact N-O 3.08Å; N194-L208 PolarHBondContact OD1-O 3.48Å; N194-D209 PolarHBondContact ND2-OD2 2.86Å; N194-D209 WeakPolarHBondContact OD1-CA 3.39Å; N194-D209 VanDerWaalsContact OD1-CB 3.31Å; N194-D209 WeakPolarHBondContact OD1-CB 3.49Å; N194-D209 VanDerWaalsContact OD1-CG 3.24Å; N194-D209 PolarHBondContact OD1-OD2 3.48Å; N194-R211 PolarHBondContact ND2-NH2 3.43Å; N194-R211 PolarHBondContact OD1-NH2 3.45Å; N194-R211 VanDerWaalsContact OD1-NH2 3.1Å |
| 195 | F | 96 | Very high | 90.1 | Very high | 15 Ų | 15 | 73.9 Ų | 73.9 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | trans | -94.4 | -6 | -178.7 | -65.1 | -37.1 | 0 | 0 | 0 | 114.2 | L146 V160 V163 M164 L189 F193 N197 P210 | L146-F195 WeakPolarHBondContact CD2-O 3.49Å; V160-F195 HydrophobicContact CG1-CB 4.23Å; V160-F195 HydrophobicContact CG1-CD1 4.01Å; V160-F195 HydrophobicContact CG1-CG 4.17Å; V163-F195 HydrophobicContact CG1-CE1 4.05Å; V163-F195 HydrophobicContact CG1-CZ 4.42Å; M164-F195 HydrophobicContact CE-CD2 4.24Å; M164-F195 HydrophobicContact CE-CE2 3.73Å; M164-F195 HydrophobicContact CE-CZ 4.22Å; L189-F195 HydrophobicContact CD1-CD2 4.45Å; L189-F195 HydrophobicContact CD2-CD2 4.45Å; L189-F195 HydrophobicContact CG-CD2 4.24Å; F193-F195 HydrophobicContact CB-CD2 3.38Å; F193-F195 HydrophobicContact CB-CE2 3.5Å; F193-F195 VanDerWaalsContact CB-CE2 3.5Å; F193-F195 HydrophobicContact CB-CG 3.96Å; F193-F195 HydrophobicContact CB-CZ 4.17Å; F193-F195 HydrophobicContact CD1-CE2 4.19Å; F193-F195 HydrophobicContact CD1-CZ 4.47Å; F193-F195 HydrophobicContact CD2-CD2 4.41Å; F193-F195 HydrophobicContact CD2-CE2 4.09Å; F193-F195 HydrophobicContact CG-CD2 4.04Å; F193-F195 AromaticContact CG-CE2 3.68Å; F193-F195 HydrophobicContact CG-CE2 3.68Å; F193-F195 HydrophobicContact CG-CZ 4.35Å; F193-F195 PolarHBondContact O-N 3.14Å; F195-N197 PolarHBondContact O-N 3.25Å; F195-P210 HydrophobicContact CZ-CG 3.88Å | ||
| 196 | H | 96.5 | Very high | 89.2 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -56 | 134.9 | 173.5 | -165.1 | -89.8 | 0 | 0 | 0 | 109.1 | F142 V144 G145 V190 Y198 D199 | F142-H196 PolarHBondContact O-NE2 3.07Å; V144-H196 PolarHBondContact O-CD2 3.04Å; G145-H196 WeakPolarHBondContact CA-NE2 3.3Å; V190-H196 HydrophobicContact CG1-CB 3.61Å; H196-Y198 AromaticContact CE1-CD2 3.8Å; H196-Y198 PolarHBondContact ND1-N 3.43Å; H196-Y198 VanDerWaalsContact ND1-N 3.18Å; H196-Y198 PolarHBondContact O-N 3.22Å; H196-D199 HydrophobicContact CB-CB 3.89Å; H196-D199 VanDerWaalsContact CB-CG 3.41Å; H196-D199 WeakPolarHBondContact CB-OD2 3.18Å; H196-D199 PolarHBondContact N-OD2 2.97Å; H196-D199 WeakPolarHBondContact O-CB 3.47Å; H196-D199 PolarHBondContact O-N 3.4Å |
| 197 | N | 94.4 | Very high | 88.8 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.2 | -176.2 | -171.4 | 55.2 | 0 | 0 | 0 | 113.5 | G145 F195 | G145-N197 WeakPolarHBondContact O-CB 3.33Å; G145-N197 PolarHBondContact O-N 3.49Å; F195-N197 PolarHBondContact O-N 3.25Å |
| 198 | Y | 94.8 | Very high | 88.4 | Confident | 170 Ų | 170 | 84.5 Ų | 84.5 | 67% | 0.667 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 13.4 | 174.9 | -56.3 | -69.8 | 0 | 0 | 0 | 114.2 | H196 | H196-Y198 AromaticContact CE1-CD2 3.8Å; H196-Y198 PolarHBondContact ND1-N 3.43Å; H196-Y198 VanDerWaalsContact ND1-N 3.18Å; H196-Y198 PolarHBondContact O-N 3.22Å |
| 199 | D | 93.6 | Very high | 88 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | trans | -73.4 | 156 | 172.2 | -93.9 | -25.2 | 0 | 0 | 0 | 111.7 | N194 H196 K207 | N194-D199 WeakPolarHBondContact CA-OD2 3.47Å; N194-D199 HydrophobicContact CB-CB 4.35Å; H196-D199 HydrophobicContact CB-CB 3.89Å; H196-D199 VanDerWaalsContact CB-CG 3.41Å; H196-D199 WeakPolarHBondContact CB-OD2 3.18Å; H196-D199 PolarHBondContact N-OD2 2.97Å; H196-D199 WeakPolarHBondContact O-CB 3.47Å; H196-D199 PolarHBondContact O-N 3.4Å; D199-K207 IonicContact OD1-NZ 2.86Å; D199-K207 PolarHBondContact OD1-NZ 3.49Å; D199-K207 IonicContact OD2-NZ 3.53Å; D199-K207 PolarHBondContact OD2-NZ 3.32Å | ||
| 200 | N | 89.6 | Confident | 87.7 | Confident | 81 Ų | 81 | 82 Ų | 82 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | trans | -87.4 | 129.3 | 178.3 | -164.3 | -60.6 | 0 | 0 | 0 | 111.7 | R202 H203 | N200-R202 WeakPolarHBondContact OD1-CA 3.35Å; N200-R202 PolarHBondContact OD1-N 3.47Å; N200-H203 PolarHBondContact OD1-N 3.1Å | ||
| 201 | L | 87 | Confident | 87.2 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -80.5 | -20.1 | 178.7 | -56.1 | -175.9 | 0 | 0 | 0 | 113.8 | R211 R212 | L201-R211 VanDerWaalsContact CD2-CZ 3.5Å; L201-R212 VanDerWaalsContact O-CZ 3.24Å; L201-R212 PolarHBondContact O-NH1 3.1Å; L201-R212 PolarHBondContact O-NH2 3.25Å |
| 202 | R | 78.7 | Confident | 86.4 | Confident | 202 Ų | 202 | 87.8 Ų | 87.8 | 76% | 0.762 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -99.1 | -48.7 | -176.2 | -69.1 | -175.3 | 176.6 | 169.7 | -0.7 | 112.2 | N200 | N200-R202 WeakPolarHBondContact OD1-CA 3.35Å; N200-R202 PolarHBondContact OD1-N 3.47Å |
| 203 | H | 74.7 | Confident | 85.4 | Confident | 132 Ų | 132 | 90 Ų | 90 | 61% | 0.611 | 42% | 0.424 | S | S | * | . | trans | -113 | 80.5 | -173.6 | -55.3 | -66.9 | 0 | 0 | 0 | 109.3 | N200 | N200-H203 PolarHBondContact OD1-N 3.1Š| ||
| 204 | C | 68.6 | Low | 84 | Confident | 40 Ų | 40 | 89.9 Ų | 89.9 | 27% | 0.27 | 44% | 0.436 | S | S | . | . | trans | -127.1 | 96 | 173.4 | -149.1 | 0 | 0 | 0 | 0 | 108.5 | N194 R206 | N194-C204 HydrophobicContact CB-CB 4.45Å; C204-R206 VanDerWaalsContact C-N 3.34Å; C204-R206 PolarHBondContact O-N 3.12Å | ||
| 205 | A | 61.4 | Low | 82.5 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 79% | 0.785 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -75.1 | -20.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 206 | R | 79.4 | Confident | 81 | Confident | 241 Ų | 241 | 96 Ų | 96 | 91% | 0.909 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -126.4 | -19 | -173.3 | -68.3 | -174 | 178 | -179.6 | -0.8 | 115.6 | C204 | C204-R206 VanDerWaalsContact C-N 3.34Å; C204-R206 PolarHBondContact O-N 3.12Å |
| 207 | K | 88.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 97.1 Ų | 97.1 | 24% | 0.243 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -91 | 151.2 | -179.1 | -55 | -170.4 | -176.7 | -175 | 0 | 110.7 | V190 L192 F193 N194 D199 | V190-K207 VanDerWaalsContact O-CE 3.3Å; V190-K207 WeakPolarHBondContact O-CE 3.26Å; V190-K207 PolarHBondContact O-NZ 3.29Å; L192-K207 CarbonylContact O-C 3.59Å; L192-K207 WeakPolarHBondContact O-CA 3.45Å; L192-K207 WeakPolarHBondContact O-CB 3.21Å; F193-K207 WeakPolarHBondContact O-CD 3.5Å; N194-K207 HydrophobicContact CB-CB 4.16Å; N194-K207 HydrophobicContact CB-CD 4.4Å; D199-K207 IonicContact OD1-NZ 2.86Å; D199-K207 PolarHBondContact OD1-NZ 3.49Å; D199-K207 IonicContact OD2-NZ 3.53Å; D199-K207 PolarHBondContact OD2-NZ 3.32Å |
| 208 | L | 87.5 | Confident | 78.5 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -84.7 | 142.3 | 177.4 | -59.1 | 174.9 | 0 | 0 | 0 | 110.3 | L192 F193 N194 | L192-L208 HydrophobicContact CD1-CD1 3.97Å; L192-L208 HydrophobicContact CD1-CG 4.46Å; L192-L208 HydrophobicContact CG-CD1 4.17Å; L192-L208 PolarHBondContact O-N 2.7Å; F193-L208 VanDerWaalsContact CA-O 3.29Å; F193-L208 WeakPolarHBondContact CA-O 3.29Å; F193-L208 HydrophobicContact CD1-CB 3.62Å; F193-L208 HydrophobicContact CE1-CB 3.76Å; F193-L208 HydrophobicContact CE1-CD1 4.11Å; N194-L208 PolarHBondContact N-O 3.08Å; N194-L208 VanDerWaalsContact N-O 3.08Å; N194-L208 PolarHBondContact OD1-O 3.48Å |
| 209 | D | 89.4 | Confident | 77.7 | Confident | 28 Ų | 28 | 97.7 Ų | 97.7 | 15% | 0.15 | 48% | 0.483 | C | S | . | . | trans | -121.9 | 99.1 | 172.2 | -167.6 | -20.6 | 0 | 0 | 0 | 110.3 | N194 R211 R212 | N194-D209 PolarHBondContact ND2-OD2 2.86Å; N194-D209 WeakPolarHBondContact OD1-CA 3.39Å; N194-D209 VanDerWaalsContact OD1-CB 3.31Å; N194-D209 WeakPolarHBondContact OD1-CB 3.49Å; N194-D209 VanDerWaalsContact OD1-CG 3.24Å; N194-D209 PolarHBondContact OD1-OD2 3.48Å; D209-R211 VanDerWaalsContact CG-NH2 3.31Å; D209-R211 PolarHBondContact O-N 3.19Å; D209-R211 VanDerWaalsContact OD1-CB 3.27Å; D209-R211 WeakPolarHBondContact OD1-CB 3.28Å; D209-R211 IonicContact OD1-CZ 2.71Å; D209-R211 PolarHBondContact OD1-N 2.85Å; D209-R211 IonicContact OD1-NE 3.67Å; D209-R211 PolarHBondContact OD1-NE 3.14Å; D209-R211 IonicContact OD1-NH2 3.86Å; D209-R211 PolarHBondContact OD1-NH2 2.78Å; D209-R211 IonicContact OD2-CZ 2.72Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.87Å; D209-R211 IonicContact OD2-NH2 3.98Å; D209-R211 PolarHBondContact OD2-NH2 3.11Å; D209-R212 PolarHBondContact O-N 3.43Å | ||
| 210 | P | 88.4 | Confident | 77.1 | Confident | 78 Ų | 78 | 101 Ų | 101 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.9 | -178.5 | -22.4 | 36.1 | 0 | 0 | 0 | 114.2 | F193 F195 R212 | F193-P210 HydrophobicContact CD1-CG 3.59Å; F193-P210 HydrophobicContact CE1-CG 3.58Å; F195-P210 HydrophobicContact CZ-CG 3.88Å; P210-R212 PolarHBondContact O-N 3.11Å |
| 211 | R | 86.3 | Confident | 76.8 | Confident | 113 Ų | 113 | 99 Ų | 99 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.3 | 178.3 | -62.8 | 168.2 | -70.7 | -149.7 | -13.4 | 112.6 | N194 L201 D209 | N194-R211 PolarHBondContact ND2-NH2 3.43Å; N194-R211 PolarHBondContact OD1-NH2 3.45Å; N194-R211 VanDerWaalsContact OD1-NH2 3.1Å; L201-R211 VanDerWaalsContact CD2-CZ 3.5Å; D209-R211 VanDerWaalsContact CG-NH2 3.31Å; D209-R211 PolarHBondContact O-N 3.19Å; D209-R211 VanDerWaalsContact OD1-CB 3.27Å; D209-R211 WeakPolarHBondContact OD1-CB 3.28Å; D209-R211 IonicContact OD1-CZ 2.71Å; D209-R211 PolarHBondContact OD1-N 2.85Å; D209-R211 IonicContact OD1-NE 3.67Å; D209-R211 PolarHBondContact OD1-NE 3.14Å; D209-R211 IonicContact OD1-NH2 3.86Å; D209-R211 PolarHBondContact OD1-NH2 2.78Å; D209-R211 IonicContact OD2-CZ 2.72Å; D209-R211 IonicContact OD2-NE 2.71Å; D209-R211 PolarHBondContact OD2-NE 2.87Å; D209-R211 IonicContact OD2-NH2 3.98Å; D209-R211 PolarHBondContact OD2-NH2 3.11Å |
| 212 | R | 77.7 | Confident | 76.7 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 40% | 0.404 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -118.6 | 133.4 | -179.2 | -60.8 | -177.9 | 177.2 | 168.7 | 7.2 | 109.1 | L201 D209 P210 G214 I217 | L201-R212 VanDerWaalsContact O-CZ 3.24Å; L201-R212 PolarHBondContact O-NH1 3.1Å; L201-R212 PolarHBondContact O-NH2 3.25Å; D209-R212 PolarHBondContact O-N 3.43Å; P210-R212 PolarHBondContact O-N 3.11Å; R212-G214 PolarHBondContact O-N 2.97Å; R212-I217 HydrophobicContact CB-CD1 3.13Å; R212-I217 HydrophobicContact CB-CG1 3.57Å; R212-I217 HydrophobicContact CG-CD1 4.1Å; R212-I217 HydrophobicContact CG-CG1 4.39Å |
| 213 | E | 72.6 | Confident | 77.1 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 63% | 0.631 | 46% | 0.456 | S | S | * | . | trans | -68.1 | 119.9 | 176.8 | -64.3 | -169.6 | 175.5 | 0 | 0 | 110.5 | A215 E216 I217 | E213-A215 PolarHBondContact O-N 3.46Å; E213-A215 VanDerWaalsContact O-N 3.1Å; E213-E216 HydrophobicContact CB-CB 4.22Å; E213-E216 HydrophobicContact CB-CG 4.12Å; E213-E216 PolarHBondContact O-N 3.14Å; E213-E216 VanDerWaalsContact O-N 3.11Å; E213-I217 WeakPolarHBondContact O-CG1 3.37Å; E213-I217 PolarHBondContact O-N 2.82Å; E213-I217 VanDerWaalsContact O-N 3.11Å | ||
| 214 | G | 64.8 | Low | 77.8 | Confident | 44 Ų | 44 | 88 Ų | 88 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -22.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R212 R218 | R212-G214 PolarHBondContact O-N 2.97Å; G214-R218 PolarHBondContact O-NE 3.47Å |
| 215 | A | 62.2 | Low | 78.9 | Confident | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -81.1 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E213 I217 R218 N219 | E213-A215 PolarHBondContact O-N 3.46Å; E213-A215 VanDerWaalsContact O-N 3.1Å; A215-I217 PolarHBondContact O-N 2.87Å; A215-R218 PolarHBondContact O-N 3.3Å; A215-N219 PolarHBondContact O-N 3.15Å; A215-N219 VanDerWaalsContact O-N 3.15Å |
| 216 | E | 65.4 | Low | 80.3 | Confident | 89 Ų | 89 | 82.2 Ų | 82.2 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 179.4 | -70.4 | -157.1 | 155.9 | 0 | 0 | 113 | E213 N219 K220 | E213-E216 HydrophobicContact CB-CB 4.22Å; E213-E216 HydrophobicContact CB-CG 4.12Å; E213-E216 PolarHBondContact O-N 3.14Å; E213-E216 VanDerWaalsContact O-N 3.11Å; E216-N219 PolarHBondContact O-N 3.37Å; E216-K220 VanDerWaalsContact O-CB 3.29Å; E216-K220 WeakPolarHBondContact O-CB 3.41Å; E216-K220 VanDerWaalsContact O-CG 3.26Å; E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 3.36Å; E216-K220 IonicContact OE2-NZ 3.49Å; E216-K220 PolarHBondContact OE2-NZ 3.4Å |
| 217 | I | 67.8 | Low | 81 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 179.5 | -58.2 | 162.3 | 0 | 0 | 0 | 110 | R212 E213 A215 N219 K220 T221 | R212-I217 HydrophobicContact CB-CD1 3.13Å; R212-I217 HydrophobicContact CB-CG1 3.57Å; R212-I217 HydrophobicContact CG-CD1 4.1Å; R212-I217 HydrophobicContact CG-CG1 4.39Å; E213-I217 WeakPolarHBondContact O-CG1 3.37Å; E213-I217 PolarHBondContact O-N 2.82Å; E213-I217 VanDerWaalsContact O-N 3.11Å; A215-I217 PolarHBondContact O-N 2.87Å; I217-N219 VanDerWaalsContact C-N 3.3Å; I217-N219 PolarHBondContact O-N 2.93Å; I217-K220 PolarHBondContact O-N 3Å; I217-T221 HydrophobicContact CG2-CG2 4.15Å; I217-T221 WeakPolarHBondContact O-CG2 3.24Å; I217-T221 PolarHBondContact O-N 2.81Å; I217-T221 PolarHBondContact O-OG1 2.94Å |
| 218 | R | 70.3 | Confident | 81.2 | Confident | 162 Ų | 162 | 74.4 Ų | 74.4 | 61% | 0.611 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58 | -47 | -179.2 | -75.7 | -177.6 | -77 | 175.3 | -0.9 | 109.9 | G214 A215 K220 T221 V222 | G214-R218 PolarHBondContact O-NE 3.47Å; A215-R218 PolarHBondContact O-N 3.3Å; R218-K220 PolarHBondContact O-N 3.39Å; R218-T221 PolarHBondContact O-N 3.04Å; R218-T221 PolarHBondContact O-OG1 3Å; R218-V222 WeakPolarHBondContact O-CB 3.5Å; R218-V222 WeakPolarHBondContact O-CG2 3.41Å; R218-V222 PolarHBondContact O-N 2.98Å |
| 219 | N | 77.4 | Confident | 81.5 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 177.8 | -66.8 | -12.3 | 0 | 0 | 0 | 112.1 | A215 E216 I217 V222 V223 | A215-N219 PolarHBondContact O-N 3.15Å; A215-N219 VanDerWaalsContact O-N 3.15Å; E216-N219 PolarHBondContact O-N 3.37Å; I217-N219 VanDerWaalsContact C-N 3.3Å; I217-N219 PolarHBondContact O-N 2.93Å; N219-V222 PolarHBondContact O-N 3.5Å; N219-V223 WeakPolarHBondContact O-CB 3.49Å; N219-V223 WeakPolarHBondContact O-CG2 3.33Å; N219-V223 PolarHBondContact O-N 3.36Å |
| 220 | K | 81.3 | Confident | 81.7 | Confident | 117 Ų | 117 | 74.3 Ų | 74.3 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.8 | -76.9 | 167.6 | 178.5 | 160.4 | 0 | 111.9 | E216 I217 R218 N224 | E216-K220 VanDerWaalsContact O-CB 3.29Å; E216-K220 WeakPolarHBondContact O-CB 3.41Å; E216-K220 VanDerWaalsContact O-CG 3.26Å; E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 3.36Å; E216-K220 IonicContact OE2-NZ 3.49Å; E216-K220 PolarHBondContact OE2-NZ 3.4Å; I217-K220 PolarHBondContact O-N 3Å; R218-K220 PolarHBondContact O-N 3.39Å; K220-N224 WeakPolarHBondContact O-CB 3.35Å; K220-N224 PolarHBondContact O-N 3.22Å; K220-N224 PolarHBondContact O-ND2 2.86Å; K220-N224 PolarHBondContact O-OD1 3.37Å |
| 221 | T | 82.8 | Confident | 81.9 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 23% | 0.233 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 178 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | I217 R218 N224 L225 M245 | I217-T221 HydrophobicContact CG2-CG2 4.15Å; I217-T221 WeakPolarHBondContact O-CG2 3.24Å; I217-T221 PolarHBondContact O-N 2.81Å; I217-T221 PolarHBondContact O-OG1 2.94Å; R218-T221 PolarHBondContact O-N 3.04Å; R218-T221 PolarHBondContact O-OG1 3Å; T221-N224 PolarHBondContact O-N 3.27Å; T221-L225 WeakPolarHBondContact O-CB 3.47Å; T221-L225 PolarHBondContact O-N 3.2Å; T221-M245 HydrophobicContact CG2-CE 4.14Å |
| 222 | V | 85.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | R218 N219 N224 L225 L226 Q249 D251 | R218-V222 WeakPolarHBondContact O-CB 3.5Å; R218-V222 WeakPolarHBondContact O-CG2 3.41Å; R218-V222 PolarHBondContact O-N 2.98Å; N219-V222 PolarHBondContact O-N 3.5Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 2.88Å; V222-L225 WeakPolarHBondContact O-CB 3.29Å; V222-L225 PolarHBondContact O-N 2.94Å; V222-L225 VanDerWaalsContact O-N 3.15Å; V222-L226 HydrophobicContact CG1-CD1 4.07Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.11Å; V222-Q249 HydrophobicContact CG2-CB 3.58Å; V222-Q249 HydrophobicContact CG2-CG 4.32Å; V222-D251 HydrophobicContact CG1-CB 4.24Å |
| 223 | V | 87.4 | Confident | 83 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 178.6 | 169.3 | 0 | 0 | 0 | 0 | 111 | N219 L225 L226 F227 | N219-V223 WeakPolarHBondContact O-CB 3.49Å; N219-V223 WeakPolarHBondContact O-CG2 3.33Å; N219-V223 PolarHBondContact O-N 3.36Å; V223-L225 VanDerWaalsContact C-N 3.34Å; V223-L225 PolarHBondContact O-N 3.28Å; V223-L226 PolarHBondContact O-N 3.39Å; V223-F227 VanDerWaalsContact O-CB 3.28Å; V223-F227 WeakPolarHBondContact O-CB 3.3Å; V223-F227 PolarHBondContact O-N 3.27Å |
| 224 | N | 89.6 | Confident | 84 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 177.4 | -69.8 | -17.8 | 0 | 0 | 0 | 112.5 | K220 T221 V222 A228 F240 | K220-N224 WeakPolarHBondContact O-CB 3.35Å; K220-N224 PolarHBondContact O-N 3.22Å; K220-N224 PolarHBondContact O-ND2 2.86Å; K220-N224 PolarHBondContact O-OD1 3.37Å; T221-N224 PolarHBondContact O-N 3.27Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 2.88Å; N224-A228 PolarHBondContact O-N 3.22Å; N224-A228 VanDerWaalsContact O-N 3.14Å; N224-F240 HydrophobicContact CB-CZ 4.21Å |
| 225 | L | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.4 | 176 | 67.7 | 0 | 0 | 0 | 111 | T221 V222 V223 A228 A229 L237 F240 M245 M247 A257 | T221-L225 WeakPolarHBondContact O-CB 3.47Å; T221-L225 PolarHBondContact O-N 3.2Å; V222-L225 WeakPolarHBondContact O-CB 3.29Å; V222-L225 PolarHBondContact O-N 2.94Å; V222-L225 VanDerWaalsContact O-N 3.15Å; V223-L225 VanDerWaalsContact C-N 3.34Å; V223-L225 PolarHBondContact O-N 3.28Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.12Å; L225-A229 PolarHBondContact O-N 3.45Å; L225-L237 HydrophobicContact CD1-CD2 3.55Å; L225-F240 HydrophobicContact CD1-CB 4.23Å; L225-F240 HydrophobicContact CD1-CD2 3.9Å; L225-F240 HydrophobicContact CD1-CG 4.37Å; L225-M245 HydrophobicContact CB-SD 4.4Å; L225-M247 HydrophobicContact CD1-CE 3.61Å; L225-M247 HydrophobicContact CD1-SD 3.72Å; L225-M247 HydrophobicContact CD2-SD 4.45Å; L225-A257 HydrophobicContact CD2-CB 4.49Å; L225-A257 HydrophobicContact CG-CB 4.33Å |
| 226 | L | 91.3 | Very high | 86.7 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.1 | -36 | 180 | -64.4 | -174.8 | 0 | 0 | 0 | 112.5 | V222 V223 A228 A229 Y230 D251 T256 A257 V260 | V222-L226 HydrophobicContact CG1-CD1 4.07Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 WeakPolarHBondContact O-CG 3.38Å; V222-L226 PolarHBondContact O-N 3.11Å; V223-L226 PolarHBondContact O-N 3.39Å; L226-A228 VanDerWaalsContact C-N 3.31Å; L226-A228 PolarHBondContact O-N 3.43Å; L226-A229 WeakPolarHBondContact O-CB 3.24Å; L226-A229 PolarHBondContact O-N 2.92Å; L226-A229 VanDerWaalsContact O-N 3.14Å; L226-Y230 PolarHBondContact O-N 2.67Å; L226-D251 HydrophobicContact CD1-CB 3.48Å; L226-D251 VanDerWaalsContact CD1-CB 3.48Å; L226-T256 VanDerWaalsContact CD2-C 3.41Å; L226-A257 HydrophobicContact CD2-CB 3.97Å; L226-V260 HydrophobicContact CB-CG2 4.41Å; L226-V260 HydrophobicContact CD1-CG2 4.48Å; L226-V260 HydrophobicContact CD2-CG2 4.05Å |
| 227 | F | 93.2 | Very high | 87.9 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 57% | 0.566 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 175.2 | -174.8 | -98.5 | 0 | 0 | 0 | 112.2 | V223 A229 Y230 S231 | V223-F227 VanDerWaalsContact O-CB 3.28Å; V223-F227 WeakPolarHBondContact O-CB 3.3Å; V223-F227 PolarHBondContact O-N 3.27Å; F227-A229 VanDerWaalsContact C-N 3.32Å; F227-Y230 HydrophobicContact CD2-CD1 4.38Å; F227-Y230 HydrophobicContact CE2-CD1 4.29Å; F227-Y230 PolarHBondContact O-N 2.88Å; F227-S231 WeakPolarHBondContact O-CB 3.43Å; F227-S231 PolarHBondContact O-N 3.33Å; F227-S231 PolarHBondContact O-OG 2.95Å |
| 228 | A | 93.5 | Very high | 89 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N224 L225 L226 S231 G232 D233 A236 L237 F240 | N224-A228 PolarHBondContact O-N 3.22Å; N224-A228 VanDerWaalsContact O-N 3.14Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.12Å; L226-A228 VanDerWaalsContact C-N 3.31Å; L226-A228 PolarHBondContact O-N 3.43Å; A228-S231 PolarHBondContact O-OG 3.42Å; A228-G232 PolarHBondContact O-N 3.27Å; A228-D233 PolarHBondContact O-N 3.07Å; A228-A236 HydrophobicContact CB-CB 3.83Å; A228-L237 HydrophobicContact CB-CD2 3.84Å; A228-L237 HydrophobicContact CB-CG 4.09Å; A228-F240 HydrophobicContact CB-CE2 4.18Å |
| 229 | A | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L225 L226 F227 G232 A257 V260 A261 H266 V269 | L225-A229 PolarHBondContact O-N 3.45Å; L226-A229 WeakPolarHBondContact O-CB 3.24Å; L226-A229 PolarHBondContact O-N 2.92Å; L226-A229 VanDerWaalsContact O-N 3.14Å; F227-A229 VanDerWaalsContact C-N 3.32Å; A229-G232 PolarHBondContact O-N 3.09Å; A229-A257 HydrophobicContact CB-CB 4.22Å; A229-V260 HydrophobicContact CB-CB 4.41Å; A229-V260 HydrophobicContact CB-CG1 4.4Å; A229-A261 HydrophobicContact CB-CB 4.39Å; A229-H266 PolarHBondContact O-CD2 3.04Å; A229-H266 VanDerWaalsContact O-CD2 3.26Å; A229-V269 HydrophobicContact CB-CG1 4.29Å |
| 230 | Y | 94.1 | Very high | 90.4 | Very high | 121 Ų | 121 | 57.2 Ų | 57.2 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.3 | 170.2 | -98.5 | 0 | 0 | 0 | 112.9 | L226 F227 G232 E264 H266 | L226-Y230 PolarHBondContact O-N 2.67Å; F227-Y230 HydrophobicContact CD2-CD1 4.38Å; F227-Y230 HydrophobicContact CE2-CD1 4.29Å; F227-Y230 PolarHBondContact O-N 2.88Å; Y230-G232 VanDerWaalsContact C-N 3.3Å; Y230-G232 PolarHBondContact O-N 3.5Å; Y230-E264 HydrophobicContact CD2-CG 3.7Å; Y230-E264 WeakPolarHBondContact CD2-OE1 3.49Å; Y230-E264 VanDerWaalsContact CE2-CD 3.47Å; Y230-E264 HydrophobicContact CE2-CG 4.2Å; Y230-E264 WeakPolarHBondContact CE2-OE1 3.31Å; Y230-H266 PolarHBondContact O-CD2 3.09Å; Y230-H266 PolarHBondContact O-NE2 3.19Å |
| 231 | S | 93.3 | Very high | 90.7 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.6 | -8.9 | -179.4 | 53 | 0 | 0 | 0 | 0 | 114.4 | F227 A228 D233 | F227-S231 WeakPolarHBondContact O-CB 3.43Å; F227-S231 PolarHBondContact O-N 3.33Å; F227-S231 PolarHBondContact O-OG 2.95Å; A228-S231 PolarHBondContact O-OG 3.42Å; S231-D233 VanDerWaalsContact C-N 3.34Å |
| 232 | G | 92.8 | Very high | 90.9 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 14.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A228 A229 Y230 V234 | A228-G232 PolarHBondContact O-N 3.27Å; A229-G232 PolarHBondContact O-N 3.09Å; Y230-G232 VanDerWaalsContact C-N 3.3Å; Y230-G232 PolarHBondContact O-N 3.5Å; G232-V234 PolarHBondContact O-N 3.33Å |
| 233 | D | 93.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | trans | -79.3 | 85.8 | -177.6 | -173.6 | -3.5 | 0 | 0 | 0 | 111.9 | A228 S231 S235 A236 L237 R239 | A228-D233 PolarHBondContact O-N 3.07Å; S231-D233 VanDerWaalsContact C-N 3.34Å; D233-S235 PolarHBondContact O-N 3.2Å; D233-S235 WeakPolarHBondContact OD1-CA 3.48Å; D233-S235 VanDerWaalsContact OD1-CB 3.24Å; D233-S235 WeakPolarHBondContact OD1-CB 3.5Å; D233-S235 PolarHBondContact OD1-N 3.09Å; D233-A236 HydrophobicContact CB-CB 4.1Å; D233-A236 PolarHBondContact O-N 2.91Å; D233-A236 PolarHBondContact OD1-N 3.12Å; D233-A236 VanDerWaalsContact OD2-CB 3.3Å; D233-A236 WeakPolarHBondContact OD2-CB 3.3Å; D233-L237 PolarHBondContact O-N 2.95Å; D233-R239 IonicContact OD2-NH2 3.42Å | ||
| 234 | V | 92.8 | Very high | 90.4 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -29.6 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | G232 L237 R238 E268 V269 F272 | G232-V234 PolarHBondContact O-N 3.33Å; V234-L237 PolarHBondContact O-N 3.28Å; V234-R238 HydrophobicContact CG1-CG 4.32Å; V234-R238 WeakPolarHBondContact O-CB 3.44Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.43Å; V234-R238 PolarHBondContact O-N 2.88Å; V234-E268 HydrophobicContact CG2-CB 3.72Å; V234-V269 HydrophobicContact CG2-CG2 3.78Å; V234-F272 HydrophobicContact CG1-CB 4.34Å; V234-F272 HydrophobicContact CG1-CG 4.37Å |
| 235 | S | 92.7 | Very high | 90.1 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | D233 R239 | D233-S235 PolarHBondContact O-N 3.2Å; D233-S235 WeakPolarHBondContact OD1-CA 3.48Å; D233-S235 VanDerWaalsContact OD1-CB 3.24Å; D233-S235 WeakPolarHBondContact OD1-CB 3.5Å; D233-S235 PolarHBondContact OD1-N 3.09Å; S235-R239 WeakPolarHBondContact O-CG 3.2Å; S235-R239 PolarHBondContact O-N 2.82Å; S235-R239 VanDerWaalsContact O-N 3.11Å |
| 236 | A | 90.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A228 D233 R238 R239 F240 | A228-A236 HydrophobicContact CB-CB 3.83Å; D233-A236 HydrophobicContact CB-CB 4.1Å; D233-A236 PolarHBondContact O-N 2.91Å; D233-A236 PolarHBondContact OD1-N 3.12Å; D233-A236 VanDerWaalsContact OD2-CB 3.3Å; D233-A236 WeakPolarHBondContact OD2-CB 3.3Å; A236-R238 PolarHBondContact O-N 3.15Å; A236-R239 WeakPolarHBondContact O-CB 3.35Å; A236-R239 PolarHBondContact O-N 3.43Å; A236-R239 VanDerWaalsContact O-N 3.12Å; A236-F240 HydrophobicContact CB-CE2 4.29Å; A236-F240 VanDerWaalsContact O-CD2 3.24Å; A236-F240 WeakPolarHBondContact O-CD2 3.48Å; A236-F240 WeakPolarHBondContact O-CG 3.36Å; A236-F240 PolarHBondContact O-N 2.86Å |
| 237 | L | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.8 | -65.6 | 177.3 | 0 | 0 | 0 | 112.7 | L225 A228 D233 V234 R239 F240 A241 M247 V269 F272 | L225-L237 HydrophobicContact CD1-CD2 3.55Å; A228-L237 HydrophobicContact CB-CD2 3.84Å; A228-L237 HydrophobicContact CB-CG 4.09Å; D233-L237 PolarHBondContact O-N 2.95Å; V234-L237 PolarHBondContact O-N 3.28Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 2.86Å; L237-F240 HydrophobicContact CD2-CD2 4.49Å; L237-F240 PolarHBondContact O-N 3.14Å; L237-A241 WeakPolarHBondContact O-CB 3.42Å; L237-A241 PolarHBondContact O-N 2.87Å; L237-M247 HydrophobicContact CD2-CE 4.18Å; L237-V269 HydrophobicContact CD1-CB 4.14Å; L237-V269 HydrophobicContact CD1-CG1 3.33Å; L237-V269 HydrophobicContact CD1-CG2 3.91Å; L237-F272 HydrophobicContact CB-CD1 3.92Å; L237-F272 HydrophobicContact CB-CE1 3.77Å |
| 238 | R | 91.4 | Very high | 89.4 | Confident | 139 Ų | 139 | 59.8 Ų | 59.8 | 53% | 0.525 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 172.2 | -75.6 | 175.7 | -170.3 | -88 | -0.4 | 111.8 | V234 A236 L242 F272 | V234-R238 HydrophobicContact CG1-CG 4.32Å; V234-R238 WeakPolarHBondContact O-CB 3.44Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.43Å; V234-R238 PolarHBondContact O-N 2.88Å; A236-R238 PolarHBondContact O-N 3.15Å; R238-L242 WeakPolarHBondContact O-CB 3.22Å; R238-L242 WeakPolarHBondContact O-CD1 3.42Å; R238-L242 VanDerWaalsContact O-CG 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.36Å; R238-L242 PolarHBondContact O-N 3.41Å; R238-F272 HydrophobicContact CB-CE2 4.46Å; R238-F272 HydrophobicContact CB-CZ 4.32Å; R238-F272 HydrophobicContact CG-CD2 4.03Å; R238-F272 HydrophobicContact CG-CE2 3.48Å; R238-F272 VanDerWaalsContact CG-CE2 3.48Å; R238-F272 HydrophobicContact CG-CZ 3.76Å |
| 239 | R | 89.1 | Confident | 89.1 | Confident | 159 Ų | 159 | 61.9 Ų | 61.9 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175.9 | -71.9 | -177.4 | -64.8 | -138.7 | -2.8 | 112.1 | D233 S235 A236 L237 L242 S243 | D233-R239 IonicContact OD2-NH2 3.42Å; S235-R239 WeakPolarHBondContact O-CG 3.2Å; S235-R239 PolarHBondContact O-N 2.82Å; S235-R239 VanDerWaalsContact O-N 3.11Å; A236-R239 WeakPolarHBondContact O-CB 3.35Å; A236-R239 PolarHBondContact O-N 3.43Å; A236-R239 VanDerWaalsContact O-N 3.12Å; L237-R239 VanDerWaalsContact C-N 3.32Å; L237-R239 PolarHBondContact O-N 2.86Å; R239-L242 PolarHBondContact O-N 3.4Å; R239-S243 PolarHBondContact O-N 3.46Å; R239-S243 VanDerWaalsContact O-N 3.09Å |
| 240 | F | 88.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 177 | -66.8 | -46.6 | 0 | 0 | 0 | 112 | N224 L225 A228 A236 L237 L242 S243 M245 M247 | N224-F240 HydrophobicContact CB-CZ 4.21Å; L225-F240 HydrophobicContact CD1-CB 4.23Å; L225-F240 HydrophobicContact CD1-CD2 3.9Å; L225-F240 HydrophobicContact CD1-CG 4.37Å; A228-F240 HydrophobicContact CB-CE2 4.18Å; A236-F240 HydrophobicContact CB-CE2 4.29Å; A236-F240 VanDerWaalsContact O-CD2 3.24Å; A236-F240 WeakPolarHBondContact O-CD2 3.48Å; A236-F240 WeakPolarHBondContact O-CG 3.36Å; A236-F240 PolarHBondContact O-N 2.86Å; L237-F240 HydrophobicContact CD2-CD2 4.49Å; L237-F240 PolarHBondContact O-N 3.14Å; F240-L242 VanDerWaalsContact C-N 3.35Å; F240-L242 PolarHBondContact O-N 2.91Å; F240-S243 PolarHBondContact O-N 2.96Å; F240-S243 PolarHBondContact O-OG 3.43Å; F240-M245 HydrophobicContact CB-CB 4.43Å; F240-M245 HydrophobicContact CB-SD 4.1Å; F240-M245 HydrophobicContact CD1-CE 3.74Å; F240-M245 HydrophobicContact CD1-SD 4.11Å; F240-M245 HydrophobicContact CE1-CE 4.27Å; F240-M245 HydrophobicContact CG-CE 4.39Å; F240-M245 HydrophobicContact CG-SD 4.17Å; F240-M245 WeakPolarHBondContact O-CB 3.17Å; F240-M245 PolarHBondContact O-N 3.33Å; F240-M247 HydrophobicContact CB-SD 4.36Å |
| 241 | A | 87.4 | Confident | 88.7 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L237 S243 A244 M247 F272 | L237-A241 WeakPolarHBondContact O-CB 3.42Å; L237-A241 PolarHBondContact O-N 2.87Å; A241-S243 PolarHBondContact O-N 3.26Å; A241-A244 PolarHBondContact O-N 3.04Å; A241-A244 VanDerWaalsContact O-N 3.11Å; A241-M247 HydrophobicContact CB-SD 4.38Å; A241-F272 HydrophobicContact CB-CE1 4.23Å; A241-F272 HydrophobicContact CB-CZ 3.77Å |
| 242 | L | 87.3 | Confident | 88.3 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 80% | 0.801 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -26.2 | 175.2 | -75 | 168.7 | 0 | 0 | 0 | 113.2 | R238 R239 F240 A244 | R238-L242 WeakPolarHBondContact O-CB 3.22Å; R238-L242 WeakPolarHBondContact O-CD1 3.42Å; R238-L242 VanDerWaalsContact O-CG 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.36Å; R238-L242 PolarHBondContact O-N 3.41Å; R239-L242 PolarHBondContact O-N 3.4Å; F240-L242 VanDerWaalsContact C-N 3.35Å; F240-L242 PolarHBondContact O-N 2.91Å; L242-A244 PolarHBondContact O-N 2.9Å |
| 243 | S | 82.8 | Confident | 88.1 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.5 | 176.1 | 73 | 0 | 0 | 0 | 0 | 114.2 | R239 F240 A241 M245 | R239-S243 PolarHBondContact O-N 3.46Å; R239-S243 VanDerWaalsContact O-N 3.09Å; F240-S243 PolarHBondContact O-N 2.96Å; F240-S243 PolarHBondContact O-OG 3.43Å; A241-S243 PolarHBondContact O-N 3.26Å; S243-M245 PolarHBondContact O-N 3.17Å |
| 244 | A | 80.3 | Confident | 87.9 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 70% | 0.702 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 31.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A241 L242 | A241-A244 PolarHBondContact O-N 3.04Å; A241-A244 VanDerWaalsContact O-N 3.11Å; L242-A244 PolarHBondContact O-N 2.9Å |
| 245 | M | 82.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | trans | -70.6 | 136.7 | 170.1 | -172.9 | 173.2 | -68.1 | 0 | 0 | 109 | T221 L225 F240 S243 M247 | T221-M245 HydrophobicContact CG2-CE 4.14Å; L225-M245 HydrophobicContact CB-SD 4.4Å; F240-M245 HydrophobicContact CB-CB 4.43Å; F240-M245 HydrophobicContact CB-SD 4.1Å; F240-M245 HydrophobicContact CD1-CE 3.74Å; F240-M245 HydrophobicContact CD1-SD 4.11Å; F240-M245 HydrophobicContact CE1-CE 4.27Å; F240-M245 HydrophobicContact CG-CE 4.39Å; F240-M245 HydrophobicContact CG-SD 4.17Å; F240-M245 WeakPolarHBondContact O-CB 3.17Å; F240-M245 PolarHBondContact O-N 3.33Å; S243-M245 PolarHBondContact O-N 3.17Å; M245-M247 PolarHBondContact O-N 3.11Å | ||
| 246 | D | 85.6 | Confident | 87.8 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | trans | -69.8 | 117.3 | 171.1 | 177.7 | 13.5 | 0 | 0 | 0 | 109.4 | E248 Q249 | D246-E248 VanDerWaalsContact C-N 3.3Å; D246-E248 PolarHBondContact OD1-N 3.31Å; D246-Q249 HydrophobicContact CB-CG 4.02Å; D246-Q249 VanDerWaalsContact O-CG 3.29Å; D246-Q249 WeakPolarHBondContact O-CG 3.38Å | ||
| 247 | M | 86.4 | Confident | 87.9 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -8.2 | -176.1 | -58.9 | -66.7 | -71.5 | 0 | 0 | 112.2 | L225 L237 F240 A241 M245 Q249 F272 L273 C277 V279 | L225-M247 HydrophobicContact CD1-CE 3.61Å; L225-M247 HydrophobicContact CD1-SD 3.72Å; L225-M247 HydrophobicContact CD2-SD 4.45Å; L237-M247 HydrophobicContact CD2-CE 4.18Å; F240-M247 HydrophobicContact CB-SD 4.36Å; A241-M247 HydrophobicContact CB-SD 4.38Å; M245-M247 PolarHBondContact O-N 3.11Å; M247-Q249 VanDerWaalsContact C-N 3.31Å; M247-F272 HydrophobicContact CE-CE1 4.33Å; M247-L273 HydrophobicContact CE-CD2 3.53Å; M247-C277 HydrophobicContact CB-CB 4.27Å; M247-C277 HydrophobicContact CG-CB 4.15Å; M247-V279 HydrophobicContact CB-CG2 4Å |
| 248 | E | 88.4 | Confident | 88.1 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 4.2 | 177.3 | -54.1 | -157.4 | 130.5 | 0 | 0 | 113.1 | D246 V279 N280 | D246-E248 VanDerWaalsContact C-N 3.3Å; D246-E248 PolarHBondContact OD1-N 3.31Å; E248-V279 HydrophobicContact CG-CG1 4.31Å; E248-N280 WeakPolarHBondContact OE1-CB 3.42Å; E248-N280 PolarHBondContact OE1-N 3.06Å |
| 249 | Q | 87.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | trans | -61.4 | 141.5 | 177.8 | -65.7 | 177.8 | 9.2 | 0 | 0 | 111.5 | V222 D246 M247 | V222-Q249 HydrophobicContact CG2-CB 3.58Å; V222-Q249 HydrophobicContact CG2-CG 4.32Å; D246-Q249 HydrophobicContact CB-CG 4.02Å; D246-Q249 VanDerWaalsContact O-CG 3.29Å; D246-Q249 WeakPolarHBondContact O-CG 3.38Å; M247-Q249 VanDerWaalsContact C-N 3.31Å | ||
| 250 | K | 89.8 | Confident | 88.4 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | trans | -110.5 | 145 | -173.7 | -61.2 | -178.7 | 178.6 | -165.4 | 0 | 111.8 | S254 R255 T256 | K250-S254 WeakPolarHBondContact CD-O 3.47Å; K250-R255 VanDerWaalsContact CA-O 3.31Å; K250-R255 WeakPolarHBondContact CA-O 3.38Å; K250-T256 HydrophobicContact CG-CG2 3.87Å | ||
| 251 | D | 89.1 | Confident | 88.7 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | trans | -77.9 | -172.2 | 169.7 | 69.2 | 1.4 | 0 | 0 | 0 | 113.2 | V222 L226 D253 S254 R255 | V222-D251 HydrophobicContact CG1-CB 4.24Å; L226-D251 HydrophobicContact CD1-CB 3.48Å; L226-D251 VanDerWaalsContact CD1-CB 3.48Å; D251-D253 PolarHBondContact O-N 3.03Å; D251-D253 WeakPolarHBondContact OD1-CA 3.5Å; D251-D253 PolarHBondContact OD1-N 2.71Å; D251-S254 PolarHBondContact O-N 2.95Å; D251-S254 PolarHBondContact OD1-N 3.26Å; D251-S254 VanDerWaalsContact OD1-N 3.17Å; D251-R255 PolarHBondContact N-O 3.42Å; D251-R255 WeakPolarHBondContact OD1-CB 3.36Å; D251-R255 PolarHBondContact OD1-N 2.67Å; D251-R255 IonicContact OD1-NE 3.98Å; D251-R255 IonicContact OD2-CZ 3.48Å; D251-R255 IonicContact OD2-NE 2.8Å; D251-R255 PolarHBondContact OD2-NE 3.25Å; D251-R255 IonicContact OD2-NH2 3.26Å; D251-R255 PolarHBondContact OD2-NH2 2.82Å | ||
| 252 | Y | 85.5 | Confident | 89 | Confident | 170 Ų | 170 | 47.5 Ų | 47.5 | 67% | 0.667 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -26.8 | 176.4 | 69.5 | -83 | 0 | 0 | 0 | 112.9 | S254 R286 | Y252-S254 VanDerWaalsContact C-N 3.29Å; Y252-R286 PolarHBondContact O-NH2 2.89Å |
| 253 | D | 89.3 | Confident | 89.3 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 12.8 | 176.4 | -69.4 | -29.7 | 0 | 0 | 0 | 112.6 | D251 R255 R286 W287 | D251-D253 PolarHBondContact O-N 3.03Å; D251-D253 WeakPolarHBondContact OD1-CA 3.5Å; D251-D253 PolarHBondContact OD1-N 2.71Å; D253-R255 HydrophobicContact CB-CG 4.17Å; D253-R255 PolarHBondContact O-N 2.93Å; D253-R255 IonicContact OD2-NH2 2.93Å; D253-R286 WeakPolarHBondContact O-CB 3.35Å; D253-R286 PolarHBondContact O-N 3.44Å; D253-R286 IonicContact OD1-CZ 3.38Å; D253-R286 IonicContact OD1-NE 3.25Å; D253-R286 IonicContact OD1-NH1 2.74Å; D253-R286 PolarHBondContact OD1-NH1 2.82Å; D253-R286 IonicContact OD1-NH2 3.95Å; D253-R286 PolarHBondContact OD1-NH2 3.42Å; D253-W287 HydrophobicContact CB-CH2 4.08Å; D253-W287 HydrophobicContact CB-CZ3 3.91Å |
| 254 | S | 89.7 | Confident | 89.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 62.2 | 18.3 | -176.8 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | K250 D251 Y252 | K250-S254 WeakPolarHBondContact CD-O 3.47Å; D251-S254 PolarHBondContact O-N 2.95Å; D251-S254 PolarHBondContact OD1-N 3.26Å; D251-S254 VanDerWaalsContact OD1-N 3.17Å; Y252-S254 VanDerWaalsContact C-N 3.29Å |
| 255 | R | 90.8 | Very high | 90.4 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 27% | 0.272 | 19% | 0.193 | S | C | . | . | trans | -87.3 | 137.6 | -179.9 | -64.4 | -180 | -58.6 | 170 | 3.9 | 111.1 | K250 D251 D253 H259 D285 | K250-R255 VanDerWaalsContact CA-O 3.31Å; K250-R255 WeakPolarHBondContact CA-O 3.38Å; D251-R255 PolarHBondContact N-O 3.42Å; D251-R255 WeakPolarHBondContact OD1-CB 3.36Å; D251-R255 PolarHBondContact OD1-N 2.67Å; D251-R255 IonicContact OD1-NE 3.98Å; D251-R255 IonicContact OD2-CZ 3.48Å; D251-R255 IonicContact OD2-NE 2.8Å; D251-R255 PolarHBondContact OD2-NE 3.25Å; D251-R255 IonicContact OD2-NH2 3.26Å; D251-R255 PolarHBondContact OD2-NH2 2.82Å; D253-R255 HydrophobicContact CB-CG 4.17Å; D253-R255 PolarHBondContact O-N 2.93Å; D253-R255 IonicContact OD2-NH2 2.93Å; R255-H259 HydrophobicContact CB-CB 4Å; R255-H259 HydrophobicContact CG-CB 4.28Å; R255-D285 HydrophobicContact CG-CB 3.77Å | ||
| 256 | T | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | trans | -92.3 | 170.9 | 172.4 | 63.9 | 0 | 0 | 0 | 0 | 111 | L226 K250 L258 H259 V260 A283 | L226-T256 VanDerWaalsContact CD2-C 3.41Å; K250-T256 HydrophobicContact CG-CG2 3.87Å; T256-L258 PolarHBondContact O-N 3.17Å; T256-L258 VanDerWaalsContact O-N 3.13Å; T256-L258 PolarHBondContact OG1-N 3.01Å; T256-H259 PolarHBondContact N-ND1 3.24Å; T256-H259 VanDerWaalsContact N-ND1 3.13Å; T256-H259 WeakPolarHBondContact O-CB 3.21Å; T256-H259 PolarHBondContact O-N 3.02Å; T256-H259 VanDerWaalsContact O-N 3.1Å; T256-H259 PolarHBondContact OG1-ND1 3.33Å; T256-V260 PolarHBondContact O-N 3.18Å; T256-A283 HydrophobicContact CG2-CB 4.17Å | ||
| 257 | A | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.3 | -28.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L225 L226 A229 A261 L273 | L225-A257 HydrophobicContact CD2-CB 4.49Å; L225-A257 HydrophobicContact CG-CB 4.33Å; L226-A257 HydrophobicContact CD2-CB 3.97Å; A229-A257 HydrophobicContact CB-CB 4.22Å; A257-A261 VanDerWaalsContact O-CB 3.31Å; A257-A261 WeakPolarHBondContact O-CB 3.4Å; A257-A261 PolarHBondContact O-N 3.46Å; A257-L273 HydrophobicContact CB-CD1 3.92Å; A257-L273 HydrophobicContact CB-CD2 4.24Å |
| 258 | L | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | 178.3 | -168.2 | 61.1 | 0 | 0 | 0 | 112.4 | T256 A262 V270 L273 I274 V279 P281 P291 L307 | T256-L258 PolarHBondContact O-N 3.17Å; T256-L258 VanDerWaalsContact O-N 3.13Å; T256-L258 PolarHBondContact OG1-N 3.01Å; L258-A262 WeakPolarHBondContact O-CB 3.49Å; L258-A262 PolarHBondContact O-N 2.93Å; L258-V270 HydrophobicContact CD1-CG1 4.18Å; L258-V270 HydrophobicContact CD1-CG2 4.49Å; L258-L273 HydrophobicContact CB-CD1 4.39Å; L258-L273 HydrophobicContact CD1-CB 4.23Å; L258-L273 HydrophobicContact CD1-CD1 4.24Å; L258-I274 HydrophobicContact CD1-CG1 4.26Å; L258-V279 HydrophobicContact CB-CG1 4.27Å; L258-V279 HydrophobicContact CD2-CG1 4.4Å; L258-P281 HydrophobicContact CD2-CB 4.49Å; L258-P291 HydrophobicContact CB-CG 4.3Å; L258-P291 HydrophobicContact CD2-CB 4.27Å; L258-P291 HydrophobicContact CD2-CG 4.06Å; L258-P291 HydrophobicContact CG-CB 3.95Å; L258-P291 HydrophobicContact CG-CG 4.03Å; L258-L307 HydrophobicContact CD1-CD2 4.2Å; L258-L307 HydrophobicContact CD2-CD2 4.21Å; L258-L307 HydrophobicContact CG-CD2 4.37Å |
| 259 | H | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.7 | -67.7 | 82.7 | 0 | 0 | 0 | 110.7 | R255 T256 A261 A262 A263 A283 D294 | R255-H259 HydrophobicContact CB-CB 4Å; R255-H259 HydrophobicContact CG-CB 4.28Å; T256-H259 PolarHBondContact N-ND1 3.24Å; T256-H259 VanDerWaalsContact N-ND1 3.13Å; T256-H259 WeakPolarHBondContact O-CB 3.21Å; T256-H259 PolarHBondContact O-N 3.02Å; T256-H259 VanDerWaalsContact O-N 3.1Å; T256-H259 PolarHBondContact OG1-ND1 3.33Å; H259-A261 PolarHBondContact O-N 3.12Å; H259-A262 PolarHBondContact O-N 3.46Å; H259-A263 WeakPolarHBondContact O-CB 3.42Å; H259-A263 PolarHBondContact O-N 2.94Å; H259-A283 PolarHBondContact CE1-O 3.08Å; H259-A283 PolarHBondContact NE2-O 3.44Å; H259-D294 IonicContact CD2-OD2 3.44Å; H259-D294 PolarHBondContact CD2-OD2 3.48Å; H259-D294 IonicContact CG-OD2 3.94Å |
| 260 | V | 93.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L226 A229 T256 A262 A263 E264 | L226-V260 HydrophobicContact CB-CG2 4.41Å; L226-V260 HydrophobicContact CD1-CG2 4.48Å; L226-V260 HydrophobicContact CD2-CG2 4.05Å; A229-V260 HydrophobicContact CB-CB 4.41Å; A229-V260 HydrophobicContact CB-CG1 4.4Å; T256-V260 PolarHBondContact O-N 3.18Å; V260-A262 VanDerWaalsContact C-N 3.32Å; V260-A262 PolarHBondContact O-N 3.27Å; V260-A263 PolarHBondContact O-N 3.49Å; V260-E264 WeakPolarHBondContact O-CG 3.13Å; V260-E264 PolarHBondContact O-N 2.99Å |
| 261 | A | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -35.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A229 A257 H259 G265 H266 V269 V270 L273 | A229-A261 HydrophobicContact CB-CB 4.39Å; A257-A261 VanDerWaalsContact O-CB 3.31Å; A257-A261 WeakPolarHBondContact O-CB 3.4Å; A257-A261 PolarHBondContact O-N 3.46Å; H259-A261 PolarHBondContact O-N 3.12Å; A261-G265 PolarHBondContact O-N 3.4Å; A261-G265 VanDerWaalsContact O-N 3.08Å; A261-H266 PolarHBondContact O-N 3.13Å; A261-H266 VanDerWaalsContact O-N 3.11Å; A261-V269 HydrophobicContact CB-CB 4.15Å; A261-V269 HydrophobicContact CB-CG1 3.48Å; A261-V269 VanDerWaalsContact CB-CG1 3.48Å; A261-V270 HydrophobicContact CB-CG2 3.84Å; A261-L273 HydrophobicContact CB-CD1 4.32Å |
| 262 | A | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.6 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L258 H259 V260 G265 P291 A295 V303 L307 | L258-A262 WeakPolarHBondContact O-CB 3.49Å; L258-A262 PolarHBondContact O-N 2.93Å; H259-A262 PolarHBondContact O-N 3.46Å; V260-A262 VanDerWaalsContact C-N 3.32Å; V260-A262 PolarHBondContact O-N 3.27Å; A262-G265 PolarHBondContact O-N 3.1Å; A262-P291 HydrophobicContact CB-CB 4.18Å; A262-P291 VanDerWaalsContact CB-O 3.28Å; A262-P291 WeakPolarHBondContact CB-O 3.45Å; A262-A295 HydrophobicContact CB-CB 4.24Å; A262-V303 HydrophobicContact CB-CG1 4.23Å; A262-L307 HydrophobicContact CB-CD1 4.05Å |
| 263 | A | 93.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H259 V260 D294 F298 H300 | H259-A263 WeakPolarHBondContact O-CB 3.42Å; H259-A263 PolarHBondContact O-N 2.94Å; V260-A263 PolarHBondContact O-N 3.49Å; A263-D294 HydrophobicContact CB-CB 4.34Å; A263-F298 HydrophobicContact CB-CD2 3.75Å; A263-F298 HydrophobicContact CB-CE2 3.76Å; A263-F298 WeakPolarHBondContact O-CB 3.36Å; A263-H300 PolarHBondContact O-CD2 3.35Å; A263-H300 PolarHBondContact O-NE2 3.34Å; A263-H300 VanDerWaalsContact O-NE2 3.12Å |
| 264 | E | 93.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -84.6 | -16.6 | 177.9 | -65.4 | -62.4 | 143.1 | 0 | 0 | 113.6 | Y230 V260 | Y230-E264 HydrophobicContact CD2-CG 3.7Å; Y230-E264 WeakPolarHBondContact CD2-OE1 3.49Å; Y230-E264 VanDerWaalsContact CE2-CD 3.47Å; Y230-E264 HydrophobicContact CE2-CG 4.2Å; Y230-E264 WeakPolarHBondContact CE2-OE1 3.31Å; V260-E264 WeakPolarHBondContact O-CG 3.13Å; V260-E264 PolarHBondContact O-N 2.99Å |
| 265 | G | 93.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 21.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | A261 A262 I267 | A261-G265 PolarHBondContact O-N 3.4Å; A261-G265 VanDerWaalsContact O-N 3.08Å; A262-G265 PolarHBondContact O-N 3.1Å; G265-I267 PolarHBondContact O-N 3.32Å |
| 266 | H | 94.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | trans | -78.5 | 91.1 | -177.7 | -68.8 | -51.7 | 0 | 0 | 0 | 112.6 | A229 Y230 A261 E268 V269 V270 | A229-H266 PolarHBondContact O-CD2 3.04Å; A229-H266 VanDerWaalsContact O-CD2 3.26Å; Y230-H266 PolarHBondContact O-CD2 3.09Å; Y230-H266 PolarHBondContact O-NE2 3.19Å; A261-H266 PolarHBondContact O-N 3.13Å; A261-H266 VanDerWaalsContact O-N 3.11Å; H266-E268 PolarHBondContact O-N 3.13Å; H266-V269 HydrophobicContact CB-CB 4Å; H266-V269 HydrophobicContact CB-CG2 4Å; H266-V269 PolarHBondContact O-N 3.06Å; H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 3.11Å | ||
| 267 | I | 92.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.6 | -44.5 | -174.9 | -60.9 | 161.9 | 0 | 0 | 0 | 112.9 | G265 V269 V270 K271 E302 V303 L306 | G265-I267 PolarHBondContact O-N 3.32Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.3Å; I267-V270 PolarHBondContact O-N 2.93Å; I267-K271 HydrophobicContact CG2-CD 4.15Å; I267-K271 HydrophobicContact CG2-CG 4.43Å; I267-K271 WeakPolarHBondContact O-CG 3.42Å; I267-K271 PolarHBondContact O-N 3.33Å; I267-E302 HydrophobicContact CD1-CB 4.12Å; I267-E302 WeakPolarHBondContact CD1-OE2 3.44Å; I267-V303 HydrophobicContact CG1-CG2 3.98Å; I267-L306 HydrophobicContact CG2-CD1 3.71Å |
| 268 | E | 93.3 | Very high | 91.8 | Very high | 144 Ų | 144 | 43.4 Ų | 43.4 | 67% | 0.673 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.1 | -35.6 | -177.4 | -59.5 | -166.8 | 156.8 | 0 | 0 | 112.2 | V234 H266 F272 | V234-E268 HydrophobicContact CG2-CB 3.72Å; H266-E268 PolarHBondContact O-N 3.13Å; E268-F272 WeakPolarHBondContact O-CB 3.31Å; E268-F272 PolarHBondContact O-N 3.02Å |
| 269 | V | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | A229 V234 L237 A261 H266 I267 K271 F272 L273 | A229-V269 HydrophobicContact CB-CG1 4.29Å; V234-V269 HydrophobicContact CG2-CG2 3.78Å; L237-V269 HydrophobicContact CD1-CB 4.14Å; L237-V269 HydrophobicContact CD1-CG1 3.33Å; L237-V269 HydrophobicContact CD1-CG2 3.91Å; A261-V269 HydrophobicContact CB-CB 4.15Å; A261-V269 HydrophobicContact CB-CG1 3.48Å; A261-V269 VanDerWaalsContact CB-CG1 3.48Å; H266-V269 HydrophobicContact CB-CB 4Å; H266-V269 HydrophobicContact CB-CG2 4Å; H266-V269 PolarHBondContact O-N 3.06Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.3Å; V269-K271 PolarHBondContact O-N 3.26Å; V269-F272 WeakPolarHBondContact O-CB 3.29Å; V269-F272 PolarHBondContact O-N 3.49Å; V269-L273 HydrophobicContact CG1-CD1 3.81Å; V269-L273 HydrophobicContact CG1-CG 4.28Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 2.96Å |
| 270 | V | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L258 A261 H266 I267 F272 L273 I274 V303 L307 | L258-V270 HydrophobicContact CD1-CG1 4.18Å; L258-V270 HydrophobicContact CD1-CG2 4.49Å; A261-V270 HydrophobicContact CB-CG2 3.84Å; H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 3.11Å; I267-V270 PolarHBondContact O-N 2.93Å; V270-F272 VanDerWaalsContact C-N 3.32Å; V270-F272 PolarHBondContact O-N 3.04Å; V270-L273 PolarHBondContact O-N 3.27Å; V270-I274 HydrophobicContact CG1-CD1 3.49Å; V270-I274 VanDerWaalsContact CG1-CD1 3.49Å; V270-I274 HydrophobicContact CG1-CG1 4.32Å; V270-I274 WeakPolarHBondContact O-CB 3.29Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.01Å; V270-I274 PolarHBondContact O-N 3.49Å; V270-V303 HydrophobicContact CG1-CG1 4.32Å; V270-V303 HydrophobicContact CG2-CG1 4.02Å; V270-L307 HydrophobicContact CG1-CD2 4.31Å; V270-L307 HydrophobicContact CG1-CG 4.43Å |
| 271 | K | 93 | Very high | 91 | Very high | 91 Ų | 91 | 44.9 Ų | 44.9 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 174.6 | -74.2 | -179.9 | 179.9 | 179 | 0 | 112 | I267 V269 I274 E275 L306 | I267-K271 HydrophobicContact CG2-CD 4.15Å; I267-K271 HydrophobicContact CG2-CG 4.43Å; I267-K271 WeakPolarHBondContact O-CG 3.42Å; I267-K271 PolarHBondContact O-N 3.33Å; V269-K271 PolarHBondContact O-N 3.26Å; K271-I274 PolarHBondContact O-N 3.39Å; K271-E275 VanDerWaalsContact O-CB 3.29Å; K271-E275 WeakPolarHBondContact O-CB 3.35Å; K271-E275 WeakPolarHBondContact O-CG 3.24Å; K271-E275 PolarHBondContact O-N 2.91Å; K271-L306 HydrophobicContact CG-CD1 4.13Å |
| 272 | F | 93.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -61.6 | -46.1 | 177.8 | 177.3 | -103.1 | 0 | 0 | 0 | 112.4 | V234 L237 R238 A241 M247 E268 V269 V270 I274 A276 C277 | V234-F272 HydrophobicContact CG1-CB 4.34Å; V234-F272 HydrophobicContact CG1-CG 4.37Å; L237-F272 HydrophobicContact CB-CD1 3.92Å; L237-F272 HydrophobicContact CB-CE1 3.77Å; R238-F272 HydrophobicContact CB-CE2 4.46Å; R238-F272 HydrophobicContact CB-CZ 4.32Å; R238-F272 HydrophobicContact CG-CD2 4.03Å; R238-F272 HydrophobicContact CG-CE2 3.48Å; R238-F272 VanDerWaalsContact CG-CE2 3.48Å; R238-F272 HydrophobicContact CG-CZ 3.76Å; A241-F272 HydrophobicContact CB-CE1 4.23Å; A241-F272 HydrophobicContact CB-CZ 3.77Å; M247-F272 HydrophobicContact CE-CE1 4.33Å; E268-F272 WeakPolarHBondContact O-CB 3.31Å; E268-F272 PolarHBondContact O-N 3.02Å; V269-F272 WeakPolarHBondContact O-CB 3.29Å; V269-F272 PolarHBondContact O-N 3.49Å; V270-F272 VanDerWaalsContact C-N 3.32Å; V270-F272 PolarHBondContact O-N 3.04Å; F272-I274 PolarHBondContact O-N 3.33Å; F272-A276 HydrophobicContact CD2-CB 3.87Å; F272-A276 HydrophobicContact CE2-CB 3.77Å; F272-A276 HydrophobicContact CZ-CB 4.47Å; F272-A276 VanDerWaalsContact O-CB 3.24Å; F272-A276 WeakPolarHBondContact O-CB 3.34Å; F272-A276 PolarHBondContact O-N 3.39Å; F272-C277 PolarHBondContact O-N 3.2Å |
| 273 | L | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -66.8 | -37 | -179.1 | -69.1 | 172.2 | 0 | 0 | 0 | 112.6 | M247 A257 L258 A261 V269 V270 C277 K278 V279 | M247-L273 HydrophobicContact CE-CD2 3.53Å; A257-L273 HydrophobicContact CB-CD1 3.92Å; A257-L273 HydrophobicContact CB-CD2 4.24Å; L258-L273 HydrophobicContact CB-CD1 4.39Å; L258-L273 HydrophobicContact CD1-CB 4.23Å; L258-L273 HydrophobicContact CD1-CD1 4.24Å; A261-L273 HydrophobicContact CB-CD1 4.32Å; V269-L273 HydrophobicContact CG1-CD1 3.81Å; V269-L273 HydrophobicContact CG1-CG 4.28Å; V269-L273 WeakPolarHBondContact O-CG 3.38Å; V269-L273 PolarHBondContact O-N 2.96Å; V270-L273 PolarHBondContact O-N 3.27Å; L273-C277 CarbonylContact O-C 3.57Å; L273-C277 WeakPolarHBondContact O-CB 3.43Å; L273-C277 PolarHBondContact O-N 3.04Å; L273-K278 PolarHBondContact O-N 3.46Å; L273-V279 HydrophobicContact CB-CG2 4.37Å; L273-V279 HydrophobicContact CD2-CG2 4.34Å; L273-V279 PolarHBondContact O-N 2.88Å |
| 274 | I | 90.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -75.4 | -55.4 | -179.8 | -72.9 | 175.3 | 0 | 0 | 0 | 111.5 | L258 V270 K271 F272 K278 L307 Y310 | L258-I274 HydrophobicContact CD1-CG1 4.26Å; V270-I274 HydrophobicContact CG1-CD1 3.49Å; V270-I274 VanDerWaalsContact CG1-CD1 3.49Å; V270-I274 HydrophobicContact CG1-CG1 4.32Å; V270-I274 WeakPolarHBondContact O-CB 3.29Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.01Å; V270-I274 PolarHBondContact O-N 3.49Å; K271-I274 PolarHBondContact O-N 3.39Å; F272-I274 PolarHBondContact O-N 3.33Å; I274-K278 WeakPolarHBondContact O-CA 3.29Å; I274-K278 PolarHBondContact O-N 2.85Å; I274-L307 HydrophobicContact CD1-CD2 3.76Å; I274-Y310 HydrophobicContact CB-CD1 4.23Å; I274-Y310 HydrophobicContact CB-CE1 4.3Å; I274-Y310 HydrophobicContact CB-CG 4.33Å; I274-Y310 HydrophobicContact CD1-CD1 3.98Å; I274-Y310 HydrophobicContact CD1-CG 4.16Å; I274-Y310 HydrophobicContact CG1-CD1 3.74Å; I274-Y310 HydrophobicContact CG1-CE1 4Å; I274-Y310 HydrophobicContact CG1-CG 4.18Å; I274-Y310 HydrophobicContact CG2-CD1 3.66Å; I274-Y310 HydrophobicContact CG2-CD2 3.24Å; I274-Y310 HydrophobicContact CG2-CE1 3.89Å; I274-Y310 HydrophobicContact CG2-CE2 3.51Å; I274-Y310 HydrophobicContact CG2-CG 3.31Å |
| 275 | E | 88.1 | Confident | 90.2 | Very high | 142 Ų | 142 | 51 Ų | 51 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -78 | -43.6 | -171.2 | -64.2 | 176.2 | -178.8 | 0 | 0 | 111.9 | K271 | K271-E275 VanDerWaalsContact O-CB 3.29Å; K271-E275 WeakPolarHBondContact O-CB 3.35Å; K271-E275 WeakPolarHBondContact O-CG 3.24Å; K271-E275 PolarHBondContact O-N 2.91Å |
| 276 | A | 86.2 | Confident | 90.1 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | I | π-helix | trans | -92.5 | -39 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | F272 | F272-A276 HydrophobicContact CD2-CB 3.87Å; F272-A276 HydrophobicContact CE2-CB 3.77Å; F272-A276 HydrophobicContact CZ-CB 4.47Å; F272-A276 VanDerWaalsContact O-CB 3.24Å; F272-A276 WeakPolarHBondContact O-CB 3.34Å; F272-A276 PolarHBondContact O-N 3.39Å |
| 277 | C | 82.9 | Confident | 89.9 | Confident | 34 Ų | 34 | 62 Ų | 62 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -15.5 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | M247 F272 L273 V279 | M247-C277 HydrophobicContact CB-CB 4.27Å; M247-C277 HydrophobicContact CG-CB 4.15Å; F272-C277 PolarHBondContact O-N 3.2Å; L273-C277 CarbonylContact O-C 3.57Å; L273-C277 WeakPolarHBondContact O-CB 3.43Å; L273-C277 PolarHBondContact O-N 3.04Å; C277-V279 VanDerWaalsContact C-N 3.29Å; C277-V279 HydrophobicContact CB-CG2 3.91Å; C277-V279 PolarHBondContact O-N 3.41Å |
| 278 | K | 86.5 | Confident | 89.6 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | trans | 50.2 | 45.4 | -178.3 | -60.7 | -174 | 176.2 | -172.9 | 0 | 113.6 | L273 I274 Y310 | L273-K278 PolarHBondContact O-N 3.46Å; I274-K278 WeakPolarHBondContact O-CA 3.29Å; I274-K278 PolarHBondContact O-N 2.85Å; K278-Y310 WeakPolarHBondContact CA-OH 3.39Å | ||
| 279 | V | 87.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | trans | -68.9 | 137.7 | 179.6 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | M247 E248 L258 L273 C277 P281 | M247-V279 HydrophobicContact CB-CG2 4Å; E248-V279 HydrophobicContact CG-CG1 4.31Å; L258-V279 HydrophobicContact CB-CG1 4.27Å; L258-V279 HydrophobicContact CD2-CG1 4.4Å; L273-V279 HydrophobicContact CB-CG2 4.37Å; L273-V279 HydrophobicContact CD2-CG2 4.34Å; L273-V279 PolarHBondContact O-N 2.88Å; C277-V279 VanDerWaalsContact C-N 3.29Å; C277-V279 HydrophobicContact CB-CG2 3.91Å; C277-V279 PolarHBondContact O-N 3.41Å; V279-P281 WeakPolarHBondContact O-CD 3.36Å | ||
| 280 | N | 87.8 | Confident | 89.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | trans | -58.4 | 119.6 | 178.7 | -175.3 | -9.1 | 0 | 0 | 0 | 112.9 | E248 F282 | E248-N280 WeakPolarHBondContact OE1-CB 3.42Å; E248-N280 PolarHBondContact OE1-N 3.06Å; N280-F282 VanDerWaalsContact C-N 3.32Å; N280-F282 PolarHBondContact O-N 3.22Å; N280-F282 PolarHBondContact OD1-N 2.83Å | ||
| 281 | P | 88 | Confident | 89.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8 | -179.5 | 33.2 | -34.7 | 0 | 0 | 0 | 114.2 | L258 V279 P291 Y310 Q311 Y314 | L258-P281 HydrophobicContact CD2-CB 4.49Å; V279-P281 WeakPolarHBondContact O-CD 3.36Å; P281-P291 WeakPolarHBondContact O-CD 3.44Å; P281-Y310 HydrophobicContact CB-CD1 3.86Å; P281-Y310 HydrophobicContact CB-CE1 4.09Å; P281-Y310 HydrophobicContact CG-CD1 3.84Å; P281-Y310 HydrophobicContact CG-CE1 3.83Å; P281-Q311 HydrophobicContact CB-CG 4.01Å; P281-Q311 HydrophobicContact CG-CG 4.15Å; P281-Y314 HydrophobicContact CG-CD1 4.43Å; P281-Y314 HydrophobicContact CG-CD2 4.22Å; P281-Y314 HydrophobicContact CG-CG 4.01Å |
| 282 | F | 87.6 | Confident | 89.4 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 9.7 | 179.4 | -59.7 | -73 | 0 | 0 | 0 | 113.3 | N280 K284 Q311 Y314 T315 | N280-F282 VanDerWaalsContact C-N 3.32Å; N280-F282 PolarHBondContact O-N 3.22Å; N280-F282 PolarHBondContact OD1-N 2.83Å; F282-K284 PolarHBondContact O-N 3.08Å; F282-Q311 HydrophobicContact CE1-CB 4.34Å; F282-Q311 HydrophobicContact CE1-CG 3.87Å; F282-Q311 HydrophobicContact CE2-CG 4.4Å; F282-Q311 HydrophobicContact CZ-CB 3.85Å; F282-Q311 HydrophobicContact CZ-CG 3.72Å; F282-Y314 HydrophobicContact CD2-CD1 4.13Å; F282-Y314 HydrophobicContact CD2-CE1 4.45Å; F282-Y314 AromaticContact CE2-CD1 3.91Å; F282-Y314 HydrophobicContact CE2-CD1 3.91Å; F282-T315 HydrophobicContact CE2-CG2 3.91Å; F282-T315 HydrophobicContact CZ-CG2 3.74Å |
| 283 | A | 88 | Confident | 89.4 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -58.6 | 127.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T256 H259 P291 | T256-A283 HydrophobicContact CG2-CB 4.17Å; H259-A283 PolarHBondContact CE1-O 3.08Å; H259-A283 PolarHBondContact NE2-O 3.44Å; A283-P291 WeakPolarHBondContact O-CD 3.48Å | ||
| 284 | K | 91.5 | Very high | 89.4 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | trans | -95.2 | 139.9 | 176.8 | -63.3 | -178.8 | -179.7 | -178.3 | 0 | 111 | F282 N289 I290 | F282-K284 PolarHBondContact O-N 3.08Å; K284-N289 WeakPolarHBondContact CA-O 3.28Å; K284-I290 HydrophobicContact CG-CG2 4.13Å | ||
| 285 | D | 91.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | trans | -81.7 | -173.8 | 169.4 | 74.3 | 2.9 | 0 | 0 | 0 | 112.2 | R255 W287 G288 N289 | R255-D285 HydrophobicContact CG-CB 3.77Å; D285-W287 VanDerWaalsContact C-N 3.26Å; D285-W287 PolarHBondContact O-N 3.06Å; D285-W287 WeakPolarHBondContact OD1-CA 3.46Å; D285-W287 PolarHBondContact OD1-N 2.9Å; D285-G288 PolarHBondContact O-N 3.33Å; D285-G288 PolarHBondContact OD1-N 3.2Å; D285-N289 PolarHBondContact N-O 3.33Å; D285-N289 PolarHBondContact OD1-N 3.2Å | ||
| 286 | R | 91.6 | Very high | 89.8 | Confident | 146 Ų | 146 | 54.3 Ų | 54.3 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.2 | 176.3 | -179.9 | -175.6 | -73.6 | 167.1 | -1 | 113.4 | Y252 D253 G288 | Y252-R286 PolarHBondContact O-NH2 2.89Å; D253-R286 WeakPolarHBondContact O-CB 3.35Å; D253-R286 PolarHBondContact O-N 3.44Å; D253-R286 IonicContact OD1-CZ 3.38Å; D253-R286 IonicContact OD1-NE 3.25Å; D253-R286 IonicContact OD1-NH1 2.74Å; D253-R286 PolarHBondContact OD1-NH1 2.82Å; D253-R286 IonicContact OD1-NH2 3.95Å; D253-R286 PolarHBondContact OD1-NH2 3.42Å; R286-G288 VanDerWaalsContact C-N 3.33Å |
| 287 | W | 89.4 | Confident | 90 | Very high | 159 Ų | 159 | 57.2 Ų | 57.2 | 60% | 0.602 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5 | -178.6 | -62.9 | -80.3 | 0 | 0 | 0 | 112.7 | D253 D285 N289 | D253-W287 HydrophobicContact CB-CH2 4.08Å; D253-W287 HydrophobicContact CB-CZ3 3.91Å; D285-W287 VanDerWaalsContact C-N 3.26Å; D285-W287 PolarHBondContact O-N 3.06Å; D285-W287 WeakPolarHBondContact OD1-CA 3.46Å; D285-W287 PolarHBondContact OD1-N 2.9Å; W287-N289 VanDerWaalsContact C-N 3.33Å |
| 288 | G | 88.4 | Confident | 90.4 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 85.9 | 5.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D285 R286 | D285-G288 PolarHBondContact O-N 3.33Å; D285-G288 PolarHBondContact OD1-N 3.2Å; R286-G288 VanDerWaalsContact C-N 3.33Å |
| 289 | N | 91.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | trans | -77.5 | 147.2 | 177.1 | -64.2 | -12.7 | 0 | 0 | 0 | 110.1 | K284 D285 W287 D293 | K284-N289 WeakPolarHBondContact CA-O 3.28Å; D285-N289 PolarHBondContact N-O 3.33Å; D285-N289 PolarHBondContact OD1-N 3.2Å; W287-N289 VanDerWaalsContact C-N 3.33Å; N289-D293 HydrophobicContact CB-CB 4.14Å | ||
| 290 | I | 92.4 | Very high | 91 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.138 | 30% | 0.302 | C | S | . | . | trans | -98.8 | 162.4 | 167.4 | 53.1 | 164.3 | 0 | 0 | 0 | 110.2 | K284 L292 D293 D294 | K284-I290 HydrophobicContact CG-CG2 4.13Å; I290-L292 HydrophobicContact CD1-CB 3.85Å; I290-L292 HydrophobicContact CD1-CD2 4.48Å; I290-L292 HydrophobicContact CG1-CB 4.2Å; I290-L292 PolarHBondContact O-N 2.99Å; I290-D293 HydrophobicContact CG1-CB 4.26Å; I290-D293 VanDerWaalsContact CG1-CG 3.48Å; I290-D293 WeakPolarHBondContact CG1-OD2 3.46Å; I290-D293 PolarHBondContact N-OD2 3Å; I290-D293 WeakPolarHBondContact O-CA 3.46Å; I290-D293 WeakPolarHBondContact O-CB 3.45Å; I290-D293 PolarHBondContact O-N 3.11Å; I290-D294 PolarHBondContact O-N 2.86Å | ||
| 291 | P | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.6 | -29.3 | 178.4 | -27 | 33.7 | 0 | 0 | 0 | 114.2 | L258 A262 P281 A283 A295 L307 | L258-P291 HydrophobicContact CB-CG 4.3Å; L258-P291 HydrophobicContact CD2-CB 4.27Å; L258-P291 HydrophobicContact CD2-CG 4.06Å; L258-P291 HydrophobicContact CG-CB 3.95Å; L258-P291 HydrophobicContact CG-CG 4.03Å; A262-P291 HydrophobicContact CB-CB 4.18Å; A262-P291 VanDerWaalsContact CB-O 3.28Å; A262-P291 WeakPolarHBondContact CB-O 3.45Å; P281-P291 WeakPolarHBondContact O-CD 3.44Å; A283-P291 WeakPolarHBondContact O-CD 3.48Å; P291-A295 PolarHBondContact O-N 3.11Å; P291-A295 VanDerWaalsContact O-N 3.11Å; P291-L307 HydrophobicContact CB-CD1 4.38Å |
| 292 | L | 93.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 174.3 | -178.6 | 66.2 | 0 | 0 | 0 | 112.1 | I290 D294 A295 V296 V304 L307 Q308 | I290-L292 HydrophobicContact CD1-CB 3.85Å; I290-L292 HydrophobicContact CD1-CD2 4.48Å; I290-L292 HydrophobicContact CG1-CB 4.2Å; I290-L292 PolarHBondContact O-N 2.99Å; L292-D294 VanDerWaalsContact C-N 3.32Å; L292-A295 PolarHBondContact O-N 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.08Å; L292-V304 HydrophobicContact CD1-CB 4.3Å; L292-V304 HydrophobicContact CD1-CG1 3.94Å; L292-V304 HydrophobicContact CD1-CG2 4.43Å; L292-L307 HydrophobicContact CD1-CB 3.88Å; L292-Q308 HydrophobicContact CD1-CG 3.98Å; L292-Q308 HydrophobicContact CD2-CG 4.13Å |
| 293 | D | 92.5 | Very high | 91.5 | Very high | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.9 | -62.5 | -29.1 | 0 | 0 | 0 | 110.4 | N289 I290 V296 Q297 | N289-D293 HydrophobicContact CB-CB 4.14Å; I290-D293 HydrophobicContact CG1-CB 4.26Å; I290-D293 VanDerWaalsContact CG1-CG 3.48Å; I290-D293 WeakPolarHBondContact CG1-OD2 3.46Å; I290-D293 PolarHBondContact N-OD2 3Å; I290-D293 WeakPolarHBondContact O-CA 3.46Å; I290-D293 WeakPolarHBondContact O-CB 3.45Å; I290-D293 PolarHBondContact O-N 3.11Å; D293-V296 PolarHBondContact O-N 3.29Å; D293-Q297 WeakPolarHBondContact O-CB 3.41Å; D293-Q297 PolarHBondContact O-N 3.26Å |
| 294 | D | 90.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.2 | -70 | -17.4 | 0 | 0 | 0 | 110.8 | H259 A263 I290 L292 V296 Q297 F298 | H259-D294 IonicContact CD2-OD2 3.44Å; H259-D294 PolarHBondContact CD2-OD2 3.48Å; H259-D294 IonicContact CG-OD2 3.94Å; A263-D294 HydrophobicContact CB-CB 4.34Å; I290-D294 PolarHBondContact O-N 2.86Å; L292-D294 VanDerWaalsContact C-N 3.32Å; D294-V296 VanDerWaalsContact C-N 3.29Å; D294-V296 PolarHBondContact O-N 3.13Å; D294-Q297 PolarHBondContact O-N 2.91Å; D294-F298 WeakPolarHBondContact O-CD2 3.16Å; D294-F298 PolarHBondContact O-N 3.08Å |
| 295 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | A262 P291 L292 N299 H300 V303 V304 L307 | A262-A295 HydrophobicContact CB-CB 4.24Å; P291-A295 PolarHBondContact O-N 3.11Å; P291-A295 VanDerWaalsContact O-N 3.11Å; L292-A295 PolarHBondContact O-N 3.3Å; A295-N299 PolarHBondContact O-N 2.91Å; A295-H300 PolarHBondContact O-N 3.47Å; A295-V303 HydrophobicContact CB-CB 4.4Å; A295-V303 HydrophobicContact CB-CG1 4Å; A295-V304 HydrophobicContact CB-CG2 3.74Å; A295-L307 HydrophobicContact CB-CD1 4.22Å |
| 296 | V | 93.1 | Very high | 91.7 | Very high | 85 Ų | 85 | 70 Ų | 70 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.3 | -43.4 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L292 D293 D294 F298 N299 V304 | L292-V296 WeakPolarHBondContact O-CG2 3.45Å; L292-V296 PolarHBondContact O-N 3.08Å; D293-V296 PolarHBondContact O-N 3.29Å; D294-V296 VanDerWaalsContact C-N 3.29Å; D294-V296 PolarHBondContact O-N 3.13Å; V296-F298 VanDerWaalsContact C-N 3.32Å; V296-F298 PolarHBondContact O-N 3.46Å; V296-N299 PolarHBondContact O-N 3.43Å; V296-N299 VanDerWaalsContact O-N 3.08Å; V296-V304 HydrophobicContact CG2-CG1 4.26Å; V296-V304 HydrophobicContact CG2-CG2 3.72Å |
| 297 | Q | 91.9 | Very high | 91.6 | Very high | 130 Ų | 130 | 63.1 Ų | 63.1 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | -179.3 | -178.1 | 176.3 | -10.2 | 0 | 0 | 112.1 | D293 D294 N299 | D293-Q297 WeakPolarHBondContact O-CB 3.41Å; D293-Q297 PolarHBondContact O-N 3.26Å; D294-Q297 PolarHBondContact O-N 2.91Å; Q297-N299 VanDerWaalsContact C-N 3.33Å |
| 298 | F | 91.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 59.8 Ų | 59.8 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 3.9 | 177.1 | -65 | -73.6 | 0 | 0 | 0 | 113.7 | A263 D294 V296 | A263-F298 HydrophobicContact CB-CD2 3.75Å; A263-F298 HydrophobicContact CB-CE2 3.76Å; A263-F298 WeakPolarHBondContact O-CB 3.36Å; D294-F298 WeakPolarHBondContact O-CD2 3.16Å; D294-F298 PolarHBondContact O-N 3.08Å; V296-F298 VanDerWaalsContact C-N 3.32Å; V296-F298 PolarHBondContact O-N 3.46Å |
| 299 | N | 92.6 | Very high | 91.6 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 64% | 0.642 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 39.1 | 174.7 | -161.4 | 25.4 | 0 | 0 | 0 | 115.1 | A295 V296 Q297 L301 | A295-N299 PolarHBondContact O-N 2.91Å; V296-N299 PolarHBondContact O-N 3.43Å; V296-N299 VanDerWaalsContact O-N 3.08Å; Q297-N299 VanDerWaalsContact C-N 3.33Å; N299-L301 PolarHBondContact O-N 3.31Å |
| 300 | H | 93.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | trans | -92.9 | 74.5 | 177.4 | -65 | -56.3 | 0 | 0 | 0 | 112.4 | A263 A295 E302 V303 V304 | A263-H300 PolarHBondContact O-CD2 3.35Å; A263-H300 PolarHBondContact O-NE2 3.34Å; A263-H300 VanDerWaalsContact O-NE2 3.12Å; A295-H300 PolarHBondContact O-N 3.47Å; H300-E302 VanDerWaalsContact C-N 3.26Å; H300-E302 PolarHBondContact O-N 3.31Å; H300-E302 VanDerWaalsContact O-N 3.11Å; H300-V303 HydrophobicContact CB-CB 4.25Å; H300-V303 HydrophobicContact CB-CG2 4.41Å; H300-V303 PolarHBondContact O-N 3.24Å; H300-V303 VanDerWaalsContact O-N 3.08Å; H300-V304 WeakPolarHBondContact O-CG2 3.44Å; H300-V304 PolarHBondContact O-N 3.37Å; H300-V304 VanDerWaalsContact O-N 3.08Å | ||
| 301 | L | 90.5 | Very high | 91.1 | Very high | 115 Ų | 115 | 62 Ų | 62 | 60% | 0.602 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.3 | -32.9 | -173.2 | -61.2 | 175.4 | 0 | 0 | 0 | 115.3 | N299 K305 | N299-L301 PolarHBondContact O-N 3.31Å; L301-K305 WeakPolarHBondContact O-CG 3.4Å; L301-K305 PolarHBondContact O-N 2.79Å |
| 302 | E | 90.6 | Very high | 90.6 | Very high | 129 Ų | 129 | 67 Ų | 67 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73 | -38.2 | 179.7 | -64.2 | -171.6 | 178.1 | 0 | 0 | 112.2 | I267 H300 L306 | I267-E302 HydrophobicContact CD1-CB 4.12Å; I267-E302 WeakPolarHBondContact CD1-OE2 3.44Å; H300-E302 VanDerWaalsContact C-N 3.26Å; H300-E302 PolarHBondContact O-N 3.31Å; H300-E302 VanDerWaalsContact O-N 3.11Å; E302-L306 PolarHBondContact O-N 3.17Å |
| 303 | V | 92.1 | Very high | 90 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | A262 I267 V270 A295 H300 K305 L306 L307 | A262-V303 HydrophobicContact CB-CG1 4.23Å; I267-V303 HydrophobicContact CG1-CG2 3.98Å; V270-V303 HydrophobicContact CG1-CG1 4.32Å; V270-V303 HydrophobicContact CG2-CG1 4.02Å; A295-V303 HydrophobicContact CB-CB 4.4Å; A295-V303 HydrophobicContact CB-CG1 4Å; H300-V303 HydrophobicContact CB-CB 4.25Å; H300-V303 HydrophobicContact CB-CG2 4.41Å; H300-V303 PolarHBondContact O-N 3.24Å; H300-V303 VanDerWaalsContact O-N 3.08Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 2.85Å; V303-L306 PolarHBondContact O-N 3.01Å; V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.2Å; V303-L307 WeakPolarHBondContact O-CB 3.43Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 3.27Å |
| 304 | V | 92.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L292 A295 V296 H300 L307 Q308 | L292-V304 HydrophobicContact CD1-CB 4.3Å; L292-V304 HydrophobicContact CD1-CG1 3.94Å; L292-V304 HydrophobicContact CD1-CG2 4.43Å; A295-V304 HydrophobicContact CB-CG2 3.74Å; V296-V304 HydrophobicContact CG2-CG1 4.26Å; V296-V304 HydrophobicContact CG2-CG2 3.72Å; H300-V304 WeakPolarHBondContact O-CG2 3.44Å; H300-V304 PolarHBondContact O-N 3.37Å; H300-V304 VanDerWaalsContact O-N 3.08Å; V304-L307 PolarHBondContact O-N 2.92Å; V304-Q308 HydrophobicContact CG1-CG 4.48Å; V304-Q308 WeakPolarHBondContact O-CB 3.31Å; V304-Q308 VanDerWaalsContact O-CG 3.31Å; V304-Q308 WeakPolarHBondContact O-CG 3.5Å; V304-Q308 PolarHBondContact O-N 3.3Å |
| 305 | K | 92.4 | Very high | 88.5 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.4 | -48.3 | 177.4 | -70.6 | 175.2 | -177.1 | 178 | 0 | 111.7 | L301 V303 L307 Q308 D309 | L301-K305 WeakPolarHBondContact O-CG 3.4Å; L301-K305 PolarHBondContact O-N 2.79Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 2.85Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 2.87Å; K305-Q308 PolarHBondContact O-N 3.35Å; K305-D309 VanDerWaalsContact O-CG 3.22Å; K305-D309 PolarHBondContact O-N 2.97Å |
| 306 | L | 91.5 | Very high | 87.1 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 179.4 | -71.1 | 170.7 | 0 | 0 | 0 | 112.6 | I267 K271 E302 V303 Y310 | I267-L306 HydrophobicContact CG2-CD1 3.71Å; K271-L306 HydrophobicContact CG-CD1 4.13Å; E302-L306 PolarHBondContact O-N 3.17Å; V303-L306 PolarHBondContact O-N 3.01Å; L306-Y310 WeakPolarHBondContact O-CB 3.31Å; L306-Y310 PolarHBondContact O-N 3.24Å; L306-Y310 VanDerWaalsContact O-N 3.08Å |
| 307 | L | 89.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 177.9 | -75.1 | 171.3 | 0 | 0 | 0 | 112.3 | L258 A262 V270 I274 P291 L292 A295 V303 V304 K305 Y310 Q311 | L258-L307 HydrophobicContact CD1-CD2 4.2Å; L258-L307 HydrophobicContact CD2-CD2 4.21Å; L258-L307 HydrophobicContact CG-CD2 4.37Å; A262-L307 HydrophobicContact CB-CD1 4.05Å; V270-L307 HydrophobicContact CG1-CD2 4.31Å; V270-L307 HydrophobicContact CG1-CG 4.43Å; I274-L307 HydrophobicContact CD1-CD2 3.76Å; P291-L307 HydrophobicContact CB-CD1 4.38Å; L292-L307 HydrophobicContact CD1-CB 3.88Å; A295-L307 HydrophobicContact CB-CD1 4.22Å; V303-L307 HydrophobicContact CG1-CD1 3.73Å; V303-L307 HydrophobicContact CG1-CG 4.2Å; V303-L307 WeakPolarHBondContact O-CB 3.43Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 3.27Å; V304-L307 PolarHBondContact O-N 2.92Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L307 PolarHBondContact O-N 2.87Å; L307-Y310 PolarHBondContact O-N 3.14Å; L307-Q311 WeakPolarHBondContact O-CB 3.3Å; L307-Q311 VanDerWaalsContact O-CG 3.31Å; L307-Q311 WeakPolarHBondContact O-CG 3.32Å; L307-Q311 PolarHBondContact O-N 3.4Å |
| 308 | Q | 89.3 | Confident | 84.3 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 174.4 | -77.1 | 173 | -11.1 | 0 | 0 | 111.2 | L292 V304 K305 Y310 Q311 D312 | L292-Q308 HydrophobicContact CD1-CG 3.98Å; L292-Q308 HydrophobicContact CD2-CG 4.13Å; V304-Q308 HydrophobicContact CG1-CG 4.48Å; V304-Q308 WeakPolarHBondContact O-CB 3.31Å; V304-Q308 VanDerWaalsContact O-CG 3.31Å; V304-Q308 WeakPolarHBondContact O-CG 3.5Å; V304-Q308 PolarHBondContact O-N 3.3Å; K305-Q308 PolarHBondContact O-N 3.35Å; Q308-Y310 PolarHBondContact O-N 2.85Å; Q308-Q311 PolarHBondContact O-N 3.44Å; Q308-Q311 VanDerWaalsContact O-N 3.14Å; Q308-D312 PolarHBondContact O-N 3.02Å |
| 309 | D | 88.8 | Confident | 82.9 | Confident | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.8 | -39.6 | 176.6 | -66.9 | -19.5 | 0 | 0 | 0 | 110.9 | K305 S313 | K305-D309 VanDerWaalsContact O-CG 3.22Å; K305-D309 PolarHBondContact O-N 2.97Å; D309-S313 PolarHBondContact O-N 3.08Å; D309-S313 VanDerWaalsContact O-N 3.14Å |
| 310 | Y | 87.9 | Confident | 81.3 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 177.7 | -173.7 | -125 | 0 | 0 | 0 | 113.3 | I274 K278 P281 L306 L307 Q308 D312 S313 Y314 | I274-Y310 HydrophobicContact CB-CD1 4.23Å; I274-Y310 HydrophobicContact CB-CE1 4.3Å; I274-Y310 HydrophobicContact CB-CG 4.33Å; I274-Y310 HydrophobicContact CD1-CD1 3.98Å; I274-Y310 HydrophobicContact CD1-CG 4.16Å; I274-Y310 HydrophobicContact CG1-CD1 3.74Å; I274-Y310 HydrophobicContact CG1-CE1 4Å; I274-Y310 HydrophobicContact CG1-CG 4.18Å; I274-Y310 HydrophobicContact CG2-CD1 3.66Å; I274-Y310 HydrophobicContact CG2-CD2 3.24Å; I274-Y310 HydrophobicContact CG2-CE1 3.89Å; I274-Y310 HydrophobicContact CG2-CE2 3.51Å; I274-Y310 HydrophobicContact CG2-CG 3.31Å; K278-Y310 WeakPolarHBondContact CA-OH 3.39Å; P281-Y310 HydrophobicContact CB-CD1 3.86Å; P281-Y310 HydrophobicContact CB-CE1 4.09Å; P281-Y310 HydrophobicContact CG-CD1 3.84Å; P281-Y310 HydrophobicContact CG-CE1 3.83Å; L306-Y310 WeakPolarHBondContact O-CB 3.31Å; L306-Y310 PolarHBondContact O-N 3.24Å; L306-Y310 VanDerWaalsContact O-N 3.08Å; L307-Y310 PolarHBondContact O-N 3.14Å; Q308-Y310 PolarHBondContact O-N 2.85Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 3.14Å; Y310-S313 WeakPolarHBondContact CA-OG 3.42Å; Y310-S313 VanDerWaalsContact CD2-OG 3.32Å; Y310-S313 WeakPolarHBondContact CD2-OG 3.48Å; Y310-S313 CarbonylContact O-C 3.5Å; Y310-S313 PolarHBondContact O-N 2.8Å; Y310-S313 VanDerWaalsContact O-N 3.16Å; Y310-S313 PolarHBondContact O-OG 3.16Å; Y310-Y314 HydrophobicContact CE1-CD2 4.26Å; Y310-Y314 AromaticContact CZ-CD2 3.96Å; Y310-Y314 VanDerWaalsContact O-CB 3.3Å; Y310-Y314 WeakPolarHBondContact O-CB 3.38Å; Y310-Y314 PolarHBondContact O-N 2.73Å |
| 311 | Q | 85.8 | Confident | 79.7 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.8 | -78.8 | 179.3 | -10.7 | 0 | 0 | 112.1 | P281 F282 L307 Q308 S313 Y314 T315 | P281-Q311 HydrophobicContact CB-CG 4.01Å; P281-Q311 HydrophobicContact CG-CG 4.15Å; F282-Q311 HydrophobicContact CE1-CB 4.34Å; F282-Q311 HydrophobicContact CE1-CG 3.87Å; F282-Q311 HydrophobicContact CE2-CG 4.4Å; F282-Q311 HydrophobicContact CZ-CB 3.85Å; F282-Q311 HydrophobicContact CZ-CG 3.72Å; L307-Q311 WeakPolarHBondContact O-CB 3.3Å; L307-Q311 VanDerWaalsContact O-CG 3.31Å; L307-Q311 WeakPolarHBondContact O-CG 3.32Å; L307-Q311 PolarHBondContact O-N 3.4Å; Q308-Q311 PolarHBondContact O-N 3.44Å; Q308-Q311 VanDerWaalsContact O-N 3.14Å; Q311-S313 VanDerWaalsContact C-N 3.34Å; Q311-Y314 PolarHBondContact O-N 3Å; Q311-T315 WeakPolarHBondContact O-CG2 3.24Å; Q311-T315 PolarHBondContact O-N 3.02Å; Q311-T315 PolarHBondContact O-OG1 3.49Å |
| 312 | D | 82.1 | Confident | 78.3 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 174.8 | -70.7 | -17.7 | 0 | 0 | 0 | 110.7 | Q308 Y310 Y314 T315 L316 | Q308-D312 PolarHBondContact O-N 3.02Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 3.14Å; D312-Y314 PolarHBondContact O-N 3.48Å; D312-T315 PolarHBondContact O-OG1 2.97Å; D312-T315 VanDerWaalsContact O-OG1 3.05Å; D312-L316 WeakPolarHBondContact O-CD1 3.43Å; D312-L316 VanDerWaalsContact O-CG 3.24Å; D312-L316 WeakPolarHBondContact O-CG 3.47Å; D312-L316 PolarHBondContact O-N 3.05Å |
| 313 | S | 79.6 | Confident | 76.8 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 176.2 | 79.2 | 0 | 0 | 0 | 0 | 113.4 | D309 Y310 Q311 S317 | D309-S313 PolarHBondContact O-N 3.08Å; D309-S313 VanDerWaalsContact O-N 3.14Å; Y310-S313 WeakPolarHBondContact CA-OG 3.42Å; Y310-S313 VanDerWaalsContact CD2-OG 3.32Å; Y310-S313 WeakPolarHBondContact CD2-OG 3.48Å; Y310-S313 CarbonylContact O-C 3.5Å; Y310-S313 PolarHBondContact O-N 2.8Å; Y310-S313 VanDerWaalsContact O-N 3.16Å; Y310-S313 PolarHBondContact O-OG 3.16Å; Q311-S313 VanDerWaalsContact C-N 3.34Å; S313-S317 PolarHBondContact O-N 2.94Å |
| 314 | Y | 78.2 | Confident | 75.3 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -73 | -46 | -176.5 | -168.1 | -83.2 | 0 | 0 | 0 | 110.8 | P281 F282 Y310 Q311 D312 L316 S317 E318 | P281-Y314 HydrophobicContact CG-CD1 4.43Å; P281-Y314 HydrophobicContact CG-CD2 4.22Å; P281-Y314 HydrophobicContact CG-CG 4.01Å; F282-Y314 HydrophobicContact CD2-CD1 4.13Å; F282-Y314 HydrophobicContact CD2-CE1 4.45Å; F282-Y314 AromaticContact CE2-CD1 3.91Å; F282-Y314 HydrophobicContact CE2-CD1 3.91Å; Y310-Y314 HydrophobicContact CE1-CD2 4.26Å; Y310-Y314 AromaticContact CZ-CD2 3.96Å; Y310-Y314 VanDerWaalsContact O-CB 3.3Å; Y310-Y314 WeakPolarHBondContact O-CB 3.38Å; Y310-Y314 PolarHBondContact O-N 2.73Å; Q311-Y314 PolarHBondContact O-N 3Å; D312-Y314 PolarHBondContact O-N 3.48Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3.3Å; Y314-S317 PolarHBondContact O-N 3.33Å; Y314-S317 PolarHBondContact O-OG 2.96Å; Y314-E318 PolarHBondContact O-N 2.7Å |
| 315 | T | 73.1 | Confident | 73.8 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | F282 Q311 D312 S317 E318 T319 | F282-T315 HydrophobicContact CE2-CG2 3.91Å; F282-T315 HydrophobicContact CZ-CG2 3.74Å; Q311-T315 WeakPolarHBondContact O-CG2 3.24Å; Q311-T315 PolarHBondContact O-N 3.02Å; Q311-T315 PolarHBondContact O-OG1 3.49Å; D312-T315 PolarHBondContact O-OG1 2.97Å; D312-T315 VanDerWaalsContact O-OG1 3.05Å; T315-S317 VanDerWaalsContact C-N 3.33Å; T315-E318 PolarHBondContact O-N 3.39Å; T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.4Å; T315-T319 VanDerWaalsContact O-N 3.12Å; T315-T319 PolarHBondContact O-OG1 3.18Å |
| 316 | L | 63.2 | Low | 72.4 | Confident | 105 Ų | 105 | 72 Ų | 72 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 171.7 | -70.9 | 169.1 | 0 | 0 | 0 | 112.6 | D312 Y314 T319 Q320 | D312-L316 WeakPolarHBondContact O-CD1 3.43Å; D312-L316 VanDerWaalsContact O-CG 3.24Å; D312-L316 WeakPolarHBondContact O-CG 3.47Å; D312-L316 PolarHBondContact O-N 3.05Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3.3Å; L316-T319 WeakPolarHBondContact CA-OG1 3.39Å; L316-T319 PolarHBondContact O-OG1 3.28Å; L316-T319 VanDerWaalsContact O-OG1 3.08Å; L316-Q320 WeakPolarHBondContact O-CB 3.21Å; L316-Q320 WeakPolarHBondContact O-CG 3.42Å; L316-Q320 PolarHBondContact O-N 3.08Å |
| 317 | S | 64.4 | Low | 70.9 | Confident | 61 Ų | 61 | 72 Ų | 72 | 43% | 0.427 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.8 | -35.2 | 178 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | S313 Y314 T315 Q320 A321 | S313-S317 PolarHBondContact O-N 2.94Å; Y314-S317 PolarHBondContact O-N 3.33Å; Y314-S317 PolarHBondContact O-OG 2.96Å; T315-S317 VanDerWaalsContact C-N 3.33Å; S317-Q320 PolarHBondContact O-N 3.12Å; S317-A321 WeakPolarHBondContact O-CB 3.45Å; S317-A321 PolarHBondContact O-N 2.79Å |
| 318 | E | 63.1 | Low | 69.7 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 41% | 0.407 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | 179.6 | -140.9 | 169.4 | -154.6 | 0 | 0 | 110.9 | Y314 T315 Q320 A321 E322 | Y314-E318 PolarHBondContact O-N 2.7Å; T315-E318 PolarHBondContact O-N 3.39Å; E318-Q320 VanDerWaalsContact C-N 3.33Å; E318-Q320 PolarHBondContact O-N 3.5Å; E318-A321 PolarHBondContact O-N 2.88Å; E318-A321 VanDerWaalsContact O-N 3.16Å; E318-E322 WeakPolarHBondContact O-CG 3.28Å; E318-E322 PolarHBondContact O-N 3.16Å |
| 319 | T | 61.2 | Low | 68.4 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 174.4 | 47.2 | 0 | 0 | 0 | 0 | 113 | T315 L316 A323 | T315-T319 WeakPolarHBondContact O-CG2 3.47Å; T315-T319 PolarHBondContact O-N 3.4Å; T315-T319 VanDerWaalsContact O-N 3.12Å; T315-T319 PolarHBondContact O-OG1 3.18Å; L316-T319 WeakPolarHBondContact CA-OG1 3.39Å; L316-T319 PolarHBondContact O-OG1 3.28Å; L316-T319 VanDerWaalsContact O-OG1 3.08Å; T319-A323 VanDerWaalsContact O-CB 3.28Å; T319-A323 WeakPolarHBondContact O-CB 3.46Å; T319-A323 PolarHBondContact O-N 2.96Å |
| 320 | Q | 58.8 | Low | 67.2 | Low | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.3 | -36.7 | 172.4 | -74.7 | 175.3 | 6.2 | 0 | 0 | 112.7 | L316 S317 E318 A324 | L316-Q320 WeakPolarHBondContact O-CB 3.21Å; L316-Q320 WeakPolarHBondContact O-CG 3.42Å; L316-Q320 PolarHBondContact O-N 3.08Å; S317-Q320 PolarHBondContact O-N 3.12Å; E318-Q320 VanDerWaalsContact C-N 3.33Å; E318-Q320 PolarHBondContact O-N 3.5Å; Q320-A324 VanDerWaalsContact O-CB 3.29Å; Q320-A324 WeakPolarHBondContact O-CB 3.29Å; Q320-A324 PolarHBondContact O-N 3.42Å |
| 321 | A | 60.6 | Low | 66 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 50% | 0.504 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S317 E318 A324 A325 | S317-A321 WeakPolarHBondContact O-CB 3.45Å; S317-A321 PolarHBondContact O-N 2.79Å; E318-A321 PolarHBondContact O-N 2.88Å; E318-A321 VanDerWaalsContact O-N 3.16Å; A321-A324 PolarHBondContact O-N 3.06Å; A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 2.98Å |
| 322 | E | 60.9 | Low | 64.9 | Low | 129 Ų | 129 | 84.2 Ų | 84.2 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 173.7 | -73.2 | -179 | 164 | 0 | 0 | 111.7 | E318 A324 A325 E326 | E318-E322 WeakPolarHBondContact O-CG 3.28Å; E318-E322 PolarHBondContact O-N 3.16Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 2.93Å; E322-A325 PolarHBondContact O-N 3.41Å; E322-E326 PolarHBondContact O-N 3.09Å |
| 323 | A | 59.3 | Low | 63.7 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T319 A327 | T319-A323 VanDerWaalsContact O-CB 3.28Å; T319-A323 WeakPolarHBondContact O-CB 3.46Å; T319-A323 PolarHBondContact O-N 2.96Å; A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.45Å |
| 324 | A | 59.6 | Low | 62.8 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q320 A321 E322 A327 L328 | Q320-A324 VanDerWaalsContact O-CB 3.29Å; Q320-A324 WeakPolarHBondContact O-CB 3.29Å; Q320-A324 PolarHBondContact O-N 3.42Å; A321-A324 PolarHBondContact O-N 3.06Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 2.93Å; A324-A327 PolarHBondContact O-N 3.31Å; A324-L328 WeakPolarHBondContact O-CB 3.45Å; A324-L328 PolarHBondContact O-N 2.92Å |
| 325 | A | 60.6 | Low | 61.8 | Low | 61 Ų | 61 | 91.8 Ų | 91.8 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A321 E322 S329 | A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 2.98Å; E322-A325 PolarHBondContact O-N 3.41Å; A325-S329 WeakPolarHBondContact O-CB 3.41Å; A325-S329 PolarHBondContact O-N 2.99Å |
| 326 | E | 62.9 | Low | 60.9 | Low | 120 Ų | 120 | 97.1 Ų | 97.1 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 172.2 | -82.8 | -164.6 | 159.5 | 0 | 0 | 112.3 | E322 S329 K330 | E322-E326 PolarHBondContact O-N 3.09Å; E326-S329 PolarHBondContact O-N 3.19Å; E326-S329 PolarHBondContact O-OG 3.05Å; E326-K330 WeakPolarHBondContact O-CG 3.41Å; E326-K330 PolarHBondContact O-N 3.09Å |
| 327 | A | 61.4 | Low | 60.2 | Low | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A323 A324 S329 K330 E331 | A323-A327 WeakPolarHBondContact O-CB 3.35Å; A323-A327 PolarHBondContact O-N 3.45Å; A324-A327 PolarHBondContact O-N 3.31Å; A327-S329 VanDerWaalsContact C-N 3.31Å; A327-S329 PolarHBondContact O-N 3.32Å; A327-K330 PolarHBondContact O-N 2.95Å; A327-E331 PolarHBondContact O-N 3.2Å |
| 328 | L | 63.2 | Low | 60 | Low | 99 Ų | 99 | 103.1 Ų | 103.1 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -35.7 | 174.4 | -108.4 | 138.7 | 0 | 0 | 0 | 112.6 | A324 N332 | A324-L328 WeakPolarHBondContact O-CB 3.45Å; A324-L328 PolarHBondContact O-N 2.92Å; L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 VanDerWaalsContact O-CG 3.27Å; L328-N332 PolarHBondContact O-N 3.04Å; L328-N332 VanDerWaalsContact O-N 3.09Å; L328-N332 PolarHBondContact O-ND2 2.71Å; L328-N332 VanDerWaalsContact O-ND2 3.09Å |
| 329 | S | 62.3 | Low | 59.8 | Low | 57 Ų | 57 | 103.9 Ų | 103.9 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.8 | -35.7 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 112.4 | A325 E326 A327 L333 | A325-S329 WeakPolarHBondContact O-CB 3.41Å; A325-S329 PolarHBondContact O-N 2.99Å; E326-S329 PolarHBondContact O-N 3.19Å; E326-S329 PolarHBondContact O-OG 3.05Å; A327-S329 VanDerWaalsContact C-N 3.31Å; A327-S329 PolarHBondContact O-N 3.32Å; S329-L333 PolarHBondContact O-N 3.43Å |
| 330 | K | 63 | Low | 59.7 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73 | -42.1 | 176.9 | -73.8 | 171.7 | -178.8 | 164.4 | 0 | 112 | E326 A327 N332 L333 E334 | E326-K330 WeakPolarHBondContact O-CG 3.41Å; E326-K330 PolarHBondContact O-N 3.09Å; A327-K330 PolarHBondContact O-N 2.95Å; K330-N332 PolarHBondContact O-N 2.93Å; K330-L333 PolarHBondContact O-N 3.23Å; K330-E334 WeakPolarHBondContact O-CG 3.47Å; K330-E334 PolarHBondContact O-N 3.48Å |
| 331 | E | 63.3 | Low | 59.8 | Low | 129 Ų | 129 | 103.5 Ų | 103.5 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.1 | -41 | 174 | -78.2 | -176.6 | 159.7 | 0 | 0 | 112.3 | A327 L333 E334 S335 | A327-E331 PolarHBondContact O-N 3.2Å; E331-L333 VanDerWaalsContact C-N 3.32Å; E331-L333 PolarHBondContact O-N 3.44Å; E331-E334 PolarHBondContact O-N 2.88Å; E331-S335 WeakPolarHBondContact O-CB 3.44Å; E331-S335 PolarHBondContact O-N 3.45Å; E331-S335 PolarHBondContact O-OG 3.36Å |
| 332 | N | 61.9 | Low | 59.7 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.1 | -34.9 | 176.1 | -75.9 | -31.9 | 0 | 0 | 0 | 112.4 | L328 K330 S335 | L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 VanDerWaalsContact O-CG 3.27Å; L328-N332 PolarHBondContact O-N 3.04Å; L328-N332 VanDerWaalsContact O-N 3.09Å; L328-N332 PolarHBondContact O-ND2 2.71Å; L328-N332 VanDerWaalsContact O-ND2 3.09Å; K330-N332 PolarHBondContact O-N 2.93Å; N332-S335 PolarHBondContact O-OG 2.99Å |
| 333 | L | 57.9 | Low | 59.7 | Low | 126 Ų | 126 | 104.6 Ų | 104.6 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72 | -38 | 175.1 | -98.6 | 149.2 | 0 | 0 | 0 | 112.9 | S329 K330 E331 S335 M336 | S329-L333 PolarHBondContact O-N 3.43Å; K330-L333 PolarHBondContact O-N 3.23Å; E331-L333 VanDerWaalsContact C-N 3.32Å; E331-L333 PolarHBondContact O-N 3.44Å; L333-S335 VanDerWaalsContact C-N 3.35Å; L333-M336 PolarHBondContact O-N 3.44Å |
| 334 | E | 60.7 | Low | 59.7 | Low | 150 Ų | 150 | 107.9 Ų | 107.9 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72 | -28.1 | 176.3 | -73.5 | -180 | 175.2 | 0 | 0 | 112.5 | K330 E331 M336 | K330-E334 WeakPolarHBondContact O-CG 3.47Å; K330-E334 PolarHBondContact O-N 3.48Å; E331-E334 PolarHBondContact O-N 2.88Å; E334-M336 PolarHBondContact O-N 3.33Å |
| 335 | S | 56.8 | Low | 59.7 | Low | 90 Ų | 90 | 112.2 Ų | 112.2 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.2 | 175.4 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | E331 N332 L333 | E331-S335 WeakPolarHBondContact O-CB 3.44Å; E331-S335 PolarHBondContact O-N 3.45Å; E331-S335 PolarHBondContact O-OG 3.36Å; N332-S335 PolarHBondContact O-OG 2.99Å; L333-S335 VanDerWaalsContact C-N 3.35Å |
| 336 | M | 53.6 | Low | 59.6 | Low | 170 Ų | 170 | 116.4 Ų | 116.4 | 84% | 0.837 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 2.3 | 179.8 | -82.9 | -176.4 | 63.6 | 0 | 0 | 114.3 | L333 E334 | L333-M336 PolarHBondContact O-N 3.44Å; E334-M336 PolarHBondContact O-N 3.33Å |
| 337 | V | 48.3 | Very low | 59.3 | Low | 188 Ų | 188 | 116.1 Ų | 116.1 | 100% | 1.139 | 63% | 0.631 | S | S | * | * | trans | -110.2 | 0 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 337 of 337 residues in 611.1 ms
(Link to these results)