| 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 | 65.3 | Low | 72.6 | Confident | 211 Ų | 211 | 112.5 Ų | 112.5 | 100% | 1.039 | 52% | 0.515 | S | S | * | . | 0 | -45.1 | 0 | -145.3 | 175.2 | -90.2 | 0 | 0 | 112.1 | F3 R4 Q5 | M1-F3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 3.2Å; M1-Q5 PolarHBondContact O-N 3.36Å | |||
| 2 | A | 78.3 | Confident | 72.1 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53.3 | -44.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R4 Q5 W6 | A2-R4 PolarHBondContact O-N 2.8Å; A2-Q5 WeakPolarHBondContact O-CB 3.3Å; A2-Q5 PolarHBondContact O-N 3.15Å; A2-Q5 VanDerWaalsContact O-N 3.11Å; A2-W6 PolarHBondContact O-N 3.08Å |
| 3 | F | 74.9 | Confident | 71.4 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 69% | 0.689 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | -179 | -176.2 | -108.5 | 0 | 0 | 0 | 113.7 | M1 Q5 W6 L7 | M1-F3 PolarHBondContact O-N 2.92Å; F3-Q5 VanDerWaalsContact C-N 3.28Å; F3-Q5 PolarHBondContact O-N 3.42Å; F3-W6 PolarHBondContact O-N 3.36Å; F3-L7 HydrophobicContact CD1-CD1 3.77Å; F3-L7 HydrophobicContact CE1-CD1 3.32Å; F3-L7 HydrophobicContact CE1-CG 4.22Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CG 4.25Å; F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.25Å |
| 4 | R | 72.8 | Confident | 71 | Confident | 185 Ų | 185 | 100.3 Ų | 100.3 | 70% | 0.698 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 175 | -99.7 | -174.6 | 177.3 | 178.4 | 0.2 | 111.9 | M1 A2 R8 | M1-R4 PolarHBondContact O-N 3.2Å; A2-R4 PolarHBondContact O-N 2.8Å; R4-R8 PolarHBondContact O-N 2.88Å |
| 5 | Q | 77.2 | Confident | 70.4 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.1 | -42.9 | 177.9 | -143.3 | 166.1 | -0.6 | 0 | 0 | 110.5 | M1 A2 F3 R8 I9 | M1-Q5 PolarHBondContact O-N 3.36Å; A2-Q5 WeakPolarHBondContact O-CB 3.3Å; A2-Q5 PolarHBondContact O-N 3.15Å; A2-Q5 VanDerWaalsContact O-N 3.11Å; F3-Q5 VanDerWaalsContact C-N 3.28Å; F3-Q5 PolarHBondContact O-N 3.42Å; Q5-R8 PolarHBondContact O-N 2.77Å; Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.5Å; Q5-I9 PolarHBondContact O-N 3.28Å |
| 6 | W | 74.5 | Confident | 70.4 | Confident | 175 Ų | 175 | 94.4 Ų | 94.4 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -45.9 | 172.5 | -124 | 78.4 | 0 | 0 | 0 | 112.4 | A2 F3 R8 I9 L10 | A2-W6 PolarHBondContact O-N 3.08Å; F3-W6 PolarHBondContact O-N 3.36Å; W6-R8 PolarHBondContact O-N 2.89Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 3.45Å; W6-I9 VanDerWaalsContact O-N 3.14Å; W6-L10 HydrophobicContact CD2-CD1 4.5Å; W6-L10 HydrophobicContact CE3-CD1 3.35Å; W6-L10 HydrophobicContact CE3-CG 4.06Å; W6-L10 HydrophobicContact CZ3-CD1 3.45Å; W6-L10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-L10 HydrophobicContact CZ3-CD2 4.44Å; W6-L10 HydrophobicContact CZ3-CG 4.14Å; W6-L10 PolarHBondContact O-N 3.07Å |
| 7 | L | 71.7 | Confident | 70.3 | Confident | 32 Ų | 32 | 89 Ų | 89 | 17% | 0.168 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.1 | -85.5 | 170 | 0 | 0 | 0 | 112.8 | F3 I9 L10 C11 L224 A228 | F3-L7 HydrophobicContact CD1-CD1 3.77Å; F3-L7 HydrophobicContact CE1-CD1 3.32Å; F3-L7 HydrophobicContact CE1-CG 4.22Å; F3-L7 HydrophobicContact CZ-CD1 3.76Å; F3-L7 HydrophobicContact CZ-CG 4.25Å; F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.25Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 PolarHBondContact O-N 2.87Å; L7-L10 PolarHBondContact O-N 3.08Å; L7-C11 VanDerWaalsContact O-CB 3.22Å; L7-C11 WeakPolarHBondContact O-CB 3.24Å; L7-C11 PolarHBondContact O-N 3.1Å; L7-L224 HydrophobicContact CB-CD2 4.07Å; L7-L224 HydrophobicContact CB-CG 4.46Å; L7-A228 HydrophobicContact CD2-CB 3.47Å; L7-A228 VanDerWaalsContact CD2-CB 3.47Å |
| 8 | R | 71.7 | Confident | 70.4 | Confident | 168 Ų | 168 | 87.1 Ų | 87.1 | 63% | 0.634 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.2 | -36.2 | 174 | -81.8 | -174 | -165.9 | 162.6 | 2.9 | 112.4 | R4 Q5 W6 G12 L224 | R4-R8 PolarHBondContact O-N 2.88Å; Q5-R8 PolarHBondContact O-N 2.77Å; W6-R8 PolarHBondContact O-N 2.89Å; R8-G12 WeakPolarHBondContact O-CA 3.13Å; R8-G12 PolarHBondContact O-N 3.26Å; R8-L224 HydrophobicContact CG-CD2 3.97Å |
| 9 | I | 73.9 | Confident | 71 | Confident | 70 Ų | 70 | 89.4 Ų | 89.4 | 36% | 0.359 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 178.7 | -73.6 | 167.2 | 0 | 0 | 0 | 110.4 | Q5 W6 L7 I20 | Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.5Å; Q5-I9 PolarHBondContact O-N 3.28Å; W6-I9 WeakPolarHBondContact O-CB 3.46Å; W6-I9 PolarHBondContact O-N 3.45Å; W6-I9 VanDerWaalsContact O-N 3.14Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 PolarHBondContact O-N 2.87Å; I9-I20 HydrophobicContact CG2-CD1 3.17Å |
| 10 | L | 69 | Low | 71.5 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.3 | -48.1 | 178.9 | -76.9 | 169.8 | 0 | 0 | 0 | 113.1 | W6 L7 S17 I20 | W6-L10 HydrophobicContact CD2-CD1 4.5Å; W6-L10 HydrophobicContact CE3-CD1 3.35Å; W6-L10 HydrophobicContact CE3-CG 4.06Å; W6-L10 HydrophobicContact CZ3-CD1 3.45Å; W6-L10 VanDerWaalsContact CZ3-CD1 3.45Å; W6-L10 HydrophobicContact CZ3-CD2 4.44Å; W6-L10 HydrophobicContact CZ3-CG 4.14Å; W6-L10 PolarHBondContact O-N 3.07Å; L7-L10 PolarHBondContact O-N 3.08Å; L10-S17 PolarHBondContact O-OG 2.89Å; L10-I20 HydrophobicContact CD2-CG2 3.92Å |
| 11 | C | 69.8 | Low | 71.8 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 3% | 0.027 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -103.6 | -0.6 | -167.2 | -53.8 | 0 | 0 | 0 | 0 | 113.8 | L7 L224 R227 L231 | L7-C11 VanDerWaalsContact O-CB 3.22Å; L7-C11 WeakPolarHBondContact O-CB 3.24Å; L7-C11 PolarHBondContact O-N 3.1Å; C11-L224 HydrophobicContact CB-CD1 3.62Å; C11-R227 HydrophobicContact CB-CB 4.05Å; C11-R227 WeakPolarHBondContact O-CD 3.02Å; C11-R227 PolarHBondContact O-NH1 2.89Å; C11-R227 VanDerWaalsContact O-NH1 3.14Å; C11-L231 HydrophobicContact CB-CD1 4.41Å |
| 12 | G | 65.7 | Low | 72.7 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -87.8 | 158.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R8 S14 S17 | R8-G12 WeakPolarHBondContact O-CA 3.13Å; R8-G12 PolarHBondContact O-N 3.26Å; G12-S14 PolarHBondContact O-N 3.11Å; G12-S17 VanDerWaalsContact O-CB 3.26Å; G12-S17 WeakPolarHBondContact O-CB 3.44Å |
| 13 | P | 63 | Low | 73.1 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -68.2 | 0.8 | -179 | 25.1 | -32.9 | 0 | 0 | 0 | 115.5 | N218 | P13-N218 WeakPolarHBondContact CA-ND2 3.5Å; P13-N218 WeakPolarHBondContact CB-ND2 2.97Å; P13-N218 WeakPolarHBondContact CB-OD1 3.43Å |
| 14 | S | 65.6 | Low | 73.5 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -73.6 | 156.2 | -170.1 | 86.4 | 0 | 0 | 0 | 0 | 112.1 | G12 S16 S17 | G12-S14 PolarHBondContact O-N 3.11Å; S14-S16 PolarHBondContact O-N 3.3Å; S14-S16 WeakPolarHBondContact OG-CB 3.24Å; S14-S16 PolarHBondContact OG-N 3.44Å; S14-S16 PolarHBondContact OG-OG 3.06Å; S14-S17 PolarHBondContact O-N 3.1Å |
| 15 | A | 62.3 | Low | 74.1 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.4 | -14.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S18 K19 | A15-S18 PolarHBondContact O-OG 2.88Å; A15-K19 VanDerWaalsContact O-CG 3.3Å; A15-K19 WeakPolarHBondContact O-CG 3.33Å; A15-K19 PolarHBondContact O-N 3.31Å |
| 16 | S | 71.1 | Confident | 74.7 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.9 | -35.1 | 174 | 85.4 | 0 | 0 | 0 | 0 | 112.8 | S14 K19 I20 | S14-S16 PolarHBondContact O-N 3.3Å; S14-S16 WeakPolarHBondContact OG-CB 3.24Å; S14-S16 PolarHBondContact OG-N 3.44Å; S14-S16 PolarHBondContact OG-OG 3.06Å; S16-K19 PolarHBondContact O-N 3.36Å; S16-I20 WeakPolarHBondContact O-CD1 3.44Å; S16-I20 VanDerWaalsContact O-CG1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.43Å |
| 17 | S | 68.3 | Low | 75.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | L10 G12 S14 I20 S21 H210 | L10-S17 PolarHBondContact O-OG 2.89Å; G12-S17 VanDerWaalsContact O-CB 3.26Å; G12-S17 WeakPolarHBondContact O-CB 3.44Å; S14-S17 PolarHBondContact O-N 3.1Å; S17-I20 PolarHBondContact O-N 3.19Å; S17-S21 PolarHBondContact O-N 3.32Å; S17-H210 PolarHBondContact OG-CE1 3.4Å |
| 18 | S | 72.4 | Confident | 76.3 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 174.7 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | A15 R22 | A15-S18 PolarHBondContact O-OG 2.88Å; S18-R22 WeakPolarHBondContact O-CG 3.39Å; S18-R22 PolarHBondContact O-N 2.87Å; S18-R22 VanDerWaalsContact O-N 3.17Å |
| 19 | K | 82.1 | Confident | 77.1 | Confident | 131 Ų | 131 | 61.5 Ų | 61.5 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62 | -47 | 172.3 | -75.1 | 178.6 | -176.8 | -174.6 | 0 | 111.1 | A15 S16 S21 R22 W23 | A15-K19 VanDerWaalsContact O-CG 3.3Å; A15-K19 WeakPolarHBondContact O-CG 3.33Å; A15-K19 PolarHBondContact O-N 3.31Å; S16-K19 PolarHBondContact O-N 3.36Å; K19-S21 VanDerWaalsContact C-N 3.35Å; K19-S21 PolarHBondContact O-N 3.12Å; K19-R22 WeakPolarHBondContact O-CB 3.39Å; K19-R22 PolarHBondContact O-N 2.91Å; K19-R22 VanDerWaalsContact O-N 3.16Å; K19-W23 PolarHBondContact O-N 3.37Å |
| 20 | I | 79.6 | Confident | 78 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.9 | -70.4 | 162.5 | 0 | 0 | 0 | 111.5 | I9 L10 S16 S17 R22 W23 I24 | I9-I20 HydrophobicContact CG2-CD1 3.17Å; L10-I20 HydrophobicContact CD2-CG2 3.92Å; S16-I20 WeakPolarHBondContact O-CD1 3.44Å; S16-I20 VanDerWaalsContact O-CG1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.44Å; S16-I20 PolarHBondContact O-N 3.43Å; S17-I20 PolarHBondContact O-N 3.19Å; I20-R22 VanDerWaalsContact C-N 3.29Å; I20-R22 PolarHBondContact O-N 2.9Å; I20-W23 PolarHBondContact O-N 3.49Å; I20-W23 VanDerWaalsContact O-N 3.12Å; I20-I24 HydrophobicContact CG2-CD1 3.78Å; I20-I24 HydrophobicContact CG2-CG1 4.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.9Å |
| 21 | S | 78.4 | Confident | 79.1 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 175 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | S17 K19 I24 S25 G207 H210 | S17-S21 PolarHBondContact O-N 3.32Å; K19-S21 VanDerWaalsContact C-N 3.35Å; K19-S21 PolarHBondContact O-N 3.12Å; S21-I24 PolarHBondContact O-N 2.93Å; S21-S25 WeakPolarHBondContact O-CB 3.49Å; S21-S25 PolarHBondContact O-N 2.78Å; S21-G207 WeakPolarHBondContact OG-CA 3.44Å; S21-G207 PolarHBondContact OG-O 3.28Å; S21-H210 WeakPolarHBondContact CB-ND1 3.18Å; S21-H210 PolarHBondContact OG-ND1 2.77Å |
| 22 | R | 84.8 | Confident | 80.1 | Confident | 180 Ų | 180 | 63.1 Ų | 63.1 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.3 | -71.7 | 179.2 | -178.3 | 177.8 | 0.3 | 111.9 | S18 K19 I20 S25 M26 | S18-R22 WeakPolarHBondContact O-CG 3.39Å; S18-R22 PolarHBondContact O-N 2.87Å; S18-R22 VanDerWaalsContact O-N 3.17Å; K19-R22 WeakPolarHBondContact O-CB 3.39Å; K19-R22 PolarHBondContact O-N 2.91Å; K19-R22 VanDerWaalsContact O-N 3.16Å; I20-R22 VanDerWaalsContact C-N 3.29Å; I20-R22 PolarHBondContact O-N 2.9Å; R22-S25 PolarHBondContact O-N 3.49Å; R22-M26 VanDerWaalsContact O-CB 3.31Å; R22-M26 WeakPolarHBondContact O-CB 3.29Å; R22-M26 VanDerWaalsContact O-CG 3.3Å; R22-M26 WeakPolarHBondContact O-CG 3.27Å; R22-M26 PolarHBondContact O-N 2.85Å |
| 23 | W | 87 | Confident | 81.4 | Confident | 178 Ų | 178 | 66 Ų | 66 | 67% | 0.674 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 176.9 | -77.3 | 112.2 | 0 | 0 | 0 | 112.6 | K19 I20 M26 G27 | K19-W23 PolarHBondContact O-N 3.37Å; I20-W23 PolarHBondContact O-N 3.49Å; I20-W23 VanDerWaalsContact O-N 3.12Å; W23-M26 HydrophobicContact CE3-CE 4.13Å; W23-M26 HydrophobicContact CZ3-CE 4.11Å; W23-G27 PolarHBondContact O-N 3.41Å |
| 24 | I | 83.2 | Confident | 82.9 | Confident | 79 Ų | 79 | 64 Ų | 64 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 175.9 | -67.1 | 169.2 | 0 | 0 | 0 | 110 | I20 S21 G27 T28 | I20-I24 HydrophobicContact CG2-CD1 3.78Å; I20-I24 HydrophobicContact CG2-CG1 4.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.9Å; S21-I24 PolarHBondContact O-N 2.93Å; I24-G27 PolarHBondContact O-N 2.82Å; I24-T28 WeakPolarHBondContact O-CB 3.43Å; I24-T28 PolarHBondContact O-N 3.39Å; I24-T28 PolarHBondContact O-OG1 3.4Å; I24-T28 VanDerWaalsContact O-OG1 3.08Å |
| 25 | S | 85.5 | Confident | 84.1 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 12% | 0.119 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 178.5 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | S21 R22 A29 A203 | S21-S25 WeakPolarHBondContact O-CB 3.49Å; S21-S25 PolarHBondContact O-N 2.78Å; R22-S25 PolarHBondContact O-N 3.49Å; S25-A29 VanDerWaalsContact O-CB 3.26Å; S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.01Å; S25-A203 WeakPolarHBondContact CB-O 3.06Å; S25-A203 WeakPolarHBondContact O-CB 3.03Å; S25-A203 PolarHBondContact OG-O 2.92Å |
| 26 | M | 89.5 | Confident | 85.5 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.7 | -76.4 | 169.7 | 36.9 | 0 | 0 | 112.2 | R22 W23 A29 A30 | R22-M26 VanDerWaalsContact O-CB 3.31Å; R22-M26 WeakPolarHBondContact O-CB 3.29Å; R22-M26 VanDerWaalsContact O-CG 3.3Å; R22-M26 WeakPolarHBondContact O-CG 3.27Å; R22-M26 PolarHBondContact O-N 2.85Å; W23-M26 HydrophobicContact CE3-CE 4.13Å; W23-M26 HydrophobicContact CZ3-CE 4.11Å; M26-A29 PolarHBondContact O-N 3.17Å; M26-A30 VanDerWaalsContact O-CB 3.26Å; M26-A30 WeakPolarHBondContact O-CB 3.25Å; M26-A30 PolarHBondContact O-N 2.74Å |
| 27 | G | 90.1 | Very high | 86.5 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W23 I24 A30 V31 | W23-G27 PolarHBondContact O-N 3.41Å; I24-G27 PolarHBondContact O-N 2.82Å; G27-A30 WeakPolarHBondContact O-CB 3.35Å; G27-A30 PolarHBondContact O-N 3.34Å; G27-V31 WeakPolarHBondContact O-CG2 3.42Å; G27-V31 PolarHBondContact O-N 3.16Å |
| 28 | T | 88.6 | Confident | 87.6 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | I24 A30 V31 G32 T199 A203 | I24-T28 WeakPolarHBondContact O-CB 3.43Å; I24-T28 PolarHBondContact O-N 3.39Å; I24-T28 PolarHBondContact O-OG1 3.4Å; I24-T28 VanDerWaalsContact O-OG1 3.08Å; T28-A30 VanDerWaalsContact C-N 3.32Å; T28-A30 PolarHBondContact O-N 2.83Å; T28-V31 WeakPolarHBondContact O-CB 3.36Å; T28-V31 PolarHBondContact O-N 3.48Å; T28-G32 PolarHBondContact O-N 2.96Å; T28-G32 VanDerWaalsContact O-N 3.1Å; T28-T199 HydrophobicContact CG2-CG2 3.84Å; T28-T199 VanDerWaalsContact O-CG2 3.31Å; T28-T199 WeakPolarHBondContact O-CG2 3.31Å; T28-A203 HydrophobicContact CG2-CB 3.77Å |
| 29 | A | 89 | Confident | 88.4 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S25 M26 V31 G32 V33 I200 A203 | S25-A29 VanDerWaalsContact O-CB 3.26Å; S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.01Å; M26-A29 PolarHBondContact O-N 3.17Å; A29-V31 VanDerWaalsContact C-N 3.3Å; A29-V31 PolarHBondContact O-N 3.41Å; A29-G32 PolarHBondContact O-N 3.22Å; A29-G32 VanDerWaalsContact O-N 3.12Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.23Å; A29-I200 HydrophobicContact CB-CG1 4.29Å; A29-A203 HydrophobicContact CB-CB 4.18Å |
| 30 | A | 93.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M26 G27 T28 V33 A34 | M26-A30 VanDerWaalsContact O-CB 3.26Å; M26-A30 WeakPolarHBondContact O-CB 3.25Å; M26-A30 PolarHBondContact O-N 2.74Å; G27-A30 WeakPolarHBondContact O-CB 3.35Å; G27-A30 PolarHBondContact O-N 3.34Å; T28-A30 VanDerWaalsContact C-N 3.32Å; T28-A30 PolarHBondContact O-N 2.83Å; A30-V33 PolarHBondContact O-N 3.39Å; A30-A34 VanDerWaalsContact O-CB 3.23Å; A30-A34 WeakPolarHBondContact O-CB 3.36Å; A30-A34 PolarHBondContact O-N 3.47Å |
| 31 | V | 92.7 | Very high | 89.1 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 171.8 | 172.8 | 0 | 0 | 0 | 0 | 111 | G27 T28 A29 A34 Y35 | G27-V31 WeakPolarHBondContact O-CG2 3.42Å; G27-V31 PolarHBondContact O-N 3.16Å; T28-V31 WeakPolarHBondContact O-CB 3.36Å; T28-V31 PolarHBondContact O-N 3.48Å; A29-V31 VanDerWaalsContact C-N 3.3Å; A29-V31 PolarHBondContact O-N 3.41Å; V31-A34 PolarHBondContact O-N 2.69Å; V31-Y35 PolarHBondContact O-N 2.84Å |
| 32 | G | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T28 A29 Y35 Y36 S196 | T28-G32 PolarHBondContact O-N 2.96Å; T28-G32 VanDerWaalsContact O-N 3.1Å; A29-G32 PolarHBondContact O-N 3.22Å; A29-G32 VanDerWaalsContact O-N 3.12Å; G32-Y35 PolarHBondContact O-N 2.99Å; G32-Y36 PolarHBondContact O-N 2.68Å; G32-Y36 VanDerWaalsContact O-N 3.13Å; G32-S196 VanDerWaalsContact O-CB 3.27Å; G32-S196 WeakPolarHBondContact O-CB 3.41Å; G32-S196 PolarHBondContact O-OG 2.9Å |
| 33 | V | 92.4 | Very high | 89.8 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | A29 A30 Y35 Y36 I37 I200 | A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.23Å; A30-V33 PolarHBondContact O-N 3.39Å; V33-Y35 VanDerWaalsContact C-N 3.3Å; V33-Y35 PolarHBondContact O-N 3.13Å; V33-Y36 WeakPolarHBondContact O-CB 3.23Å; V33-Y36 PolarHBondContact O-N 3.11Å; V33-Y36 VanDerWaalsContact O-N 3.17Å; V33-I37 HydrophobicContact CG1-CD1 3.8Å; V33-I37 HydrophobicContact CG1-CG1 4.35Å; V33-I37 WeakPolarHBondContact O-CG1 3.09Å; V33-I37 PolarHBondContact O-N 2.89Å; V33-I200 HydrophobicContact CG2-CD1 4.09Å |
| 34 | A | 93.4 | Very high | 89.8 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A30 V31 I37 A38 | A30-A34 VanDerWaalsContact O-CB 3.23Å; A30-A34 WeakPolarHBondContact O-CB 3.36Å; A30-A34 PolarHBondContact O-N 3.47Å; V31-A34 PolarHBondContact O-N 2.69Å; A34-I37 PolarHBondContact O-N 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.03Å; A34-A38 PolarHBondContact O-N 3.05Å |
| 35 | Y | 91 | Very high | 90.1 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.2 | -175 | -94.7 | 0 | 0 | 0 | 111.4 | V31 G32 V33 I37 A38 D39 R191 I195 | V31-Y35 PolarHBondContact O-N 2.84Å; G32-Y35 PolarHBondContact O-N 2.99Å; V33-Y35 VanDerWaalsContact C-N 3.3Å; V33-Y35 PolarHBondContact O-N 3.13Å; Y35-I37 PolarHBondContact O-N 3.24Å; Y35-A38 PolarHBondContact O-N 3.41Å; Y35-D39 HydrophobicContact CE1-CB 4.18Å; Y35-D39 WeakPolarHBondContact O-CB 3.18Å; Y35-D39 PolarHBondContact O-N 3.26Å; Y35-D39 PolarHBondContact OH-OD2 2.84Å; Y35-R191 PolarHBondContact OH-NE 3.07Å; Y35-I195 HydrophobicContact CD1-CB 3.99Å; Y35-I195 HydrophobicContact CD1-CG2 3.75Å; Y35-I195 HydrophobicContact CE1-CB 3.77Å; Y35-I195 HydrophobicContact CE1-CD1 3.78Å; Y35-I195 HydrophobicContact CE1-CG1 4.33Å; Y35-I195 HydrophobicContact CE1-CG2 3.81Å; Y35-I195 HydrophobicContact CG-CG2 4.27Å |
| 36 | Y | 92.2 | Very high | 90.2 | Very high | 66 Ų | 66 | 55 Ų | 55 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -61.3 | -43.3 | 176.3 | -173.1 | -103.7 | 0 | 0 | 0 | 112 | G32 V33 G40 V41 P192 F193 S196 | G32-Y36 PolarHBondContact O-N 2.68Å; G32-Y36 VanDerWaalsContact O-N 3.13Å; V33-Y36 WeakPolarHBondContact O-CB 3.23Å; V33-Y36 PolarHBondContact O-N 3.11Å; V33-Y36 VanDerWaalsContact O-N 3.17Å; Y36-G40 WeakPolarHBondContact O-CA 3.37Å; Y36-G40 PolarHBondContact O-N 2.71Å; Y36-V41 HydrophobicContact CD1-CG2 4.21Å; Y36-V41 HydrophobicContact CE1-CG2 4.06Å; Y36-V41 PolarHBondContact O-N 3.01Å; Y36-V41 VanDerWaalsContact O-N 3.15Å; Y36-P192 HydrophobicContact CD2-CB 4.14Å; Y36-F193 HydrophobicContact CE2-CB 4.21Å; Y36-F193 HydrophobicContact CE2-CD2 4.29Å; Y36-S196 VanDerWaalsContact CB-OG 3.3Å; Y36-S196 WeakPolarHBondContact CB-OG 3.38Å; Y36-S196 PolarHBondContact N-OG 2.73Å |
| 37 | I | 92.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 50 Ų | 50 | 44% | 0.441 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -66.4 | -41.5 | 179.5 | -67.7 | 170.4 | 0 | 0 | 0 | 110.8 | V33 A34 Y35 V41 S42 | V33-I37 HydrophobicContact CG1-CD1 3.8Å; V33-I37 HydrophobicContact CG1-CG1 4.35Å; V33-I37 WeakPolarHBondContact O-CG1 3.09Å; V33-I37 PolarHBondContact O-N 2.89Å; A34-I37 PolarHBondContact O-N 3.26Å; Y35-I37 PolarHBondContact O-N 3.24Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 PolarHBondContact O-N 3.39Å; I37-S42 WeakPolarHBondContact O-CB 3.28Å; I37-S42 PolarHBondContact O-N 2.96Å; I37-S42 PolarHBondContact O-OG 3.06Å |
| 38 | A | 90.8 | Very high | 89.8 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -66.6 | -63.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | A34 Y35 S42 Y43 L46 | A34-A38 WeakPolarHBondContact O-CB 3.03Å; A34-A38 PolarHBondContact O-N 3.05Å; Y35-A38 PolarHBondContact O-N 3.41Å; A38-S42 CarbonylContact O-C 3.57Å; A38-S42 WeakPolarHBondContact O-CA 3.32Å; A38-S42 WeakPolarHBondContact O-CB 3.28Å; A38-S42 PolarHBondContact O-N 3.32Å; A38-Y43 PolarHBondContact O-N 3.2Å; A38-L46 VanDerWaalsContact C-CD1 3.45Å; A38-L46 HydrophobicContact CB-CD1 4.14Å; A38-L46 WeakPolarHBondContact O-CD1 3.44Å |
| 39 | D | 88.9 | Confident | 89.7 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -79.6 | -32.2 | -169.9 | -163.8 | 32 | 0 | 0 | 0 | 113.1 | Y35 Y43 G116 P192 | Y35-D39 HydrophobicContact CE1-CB 4.18Å; Y35-D39 WeakPolarHBondContact O-CB 3.18Å; Y35-D39 PolarHBondContact O-N 3.26Å; Y35-D39 PolarHBondContact OH-OD2 2.84Å; D39-Y43 WeakPolarHBondContact O-CB 3.25Å; D39-G116 WeakPolarHBondContact O-CA 3.46Å; D39-G116 PolarHBondContact O-N 3.43Å; D39-P192 HydrophobicContact CB-CB 4.24Å |
| 40 | G | 88.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -90.3 | -51.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y36 | Y36-G40 WeakPolarHBondContact O-CA 3.37Å; Y36-G40 PolarHBondContact O-N 2.71Å |
| 41 | V | 88.5 | Confident | 88.8 | Confident | 54 Ų | 54 | 56 Ų | 56 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -87.1 | -40.2 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | Y36 I37 F122 | Y36-V41 HydrophobicContact CD1-CG2 4.21Å; Y36-V41 HydrophobicContact CE1-CG2 4.06Å; Y36-V41 PolarHBondContact O-N 3.01Å; Y36-V41 VanDerWaalsContact O-N 3.15Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 PolarHBondContact O-N 3.39Å; V41-F122 HydrophobicContact CB-CD2 4.34Å; V41-F122 HydrophobicContact CB-CE2 4.29Å; V41-F122 HydrophobicContact CB-CZ 4.45Å; V41-F122 HydrophobicContact CG1-CD1 4.16Å; V41-F122 HydrophobicContact CG1-CD2 4.48Å; V41-F122 HydrophobicContact CG1-CE1 3.85Å; V41-F122 HydrophobicContact CG1-CE2 4.21Å; V41-F122 HydrophobicContact CG1-CG 4.47Å; V41-F122 HydrophobicContact CG1-CZ 3.88Å; V41-F122 HydrophobicContact CG2-CD2 3.96Å; V41-F122 HydrophobicContact CG2-CE2 3.62Å; V41-F122 HydrophobicContact CG2-CZ 4.03Å |
| 42 | S | 90.5 | Very high | 88.1 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -101.9 | 24.6 | -174.6 | -50 | 0 | 0 | 0 | 0 | 112.5 | I37 A38 E44 K45 L46 | I37-S42 WeakPolarHBondContact O-CB 3.28Å; I37-S42 PolarHBondContact O-N 2.96Å; I37-S42 PolarHBondContact O-OG 3.06Å; A38-S42 CarbonylContact O-C 3.57Å; A38-S42 WeakPolarHBondContact O-CA 3.32Å; A38-S42 WeakPolarHBondContact O-CB 3.28Å; A38-S42 PolarHBondContact O-N 3.32Å; S42-E44 VanDerWaalsContact C-N 3.25Å; S42-E44 PolarHBondContact O-N 3.45Å; S42-K45 PolarHBondContact O-N 2.99Å; S42-K45 VanDerWaalsContact O-N 3.08Å; S42-L46 PolarHBondContact O-N 3.3Å |
| 43 | Y | 88.4 | Confident | 87 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -35.1 | -173 | 81.6 | -88.2 | 0 | 0 | 0 | 112.3 | A38 D39 K45 L46 A47 F115 F122 S124 C125 | A38-Y43 PolarHBondContact O-N 3.2Å; D39-Y43 WeakPolarHBondContact O-CB 3.25Å; Y43-K45 PolarHBondContact O-N 3.42Å; Y43-L46 WeakPolarHBondContact O-CB 3.43Å; Y43-L46 PolarHBondContact O-N 2.9Å; Y43-A47 WeakPolarHBondContact O-CB 3.14Å; Y43-A47 PolarHBondContact O-N 3.48Å; Y43-F115 HydrophobicContact CD2-CB 4.43Å; Y43-F122 HydrophobicContact CD1-CB 4.35Å; Y43-F122 HydrophobicContact CE1-CB 4.14Å; Y43-F122 WeakPolarHBondContact CE1-O 3.21Å; Y43-F122 PolarHBondContact OH-O 3.47Å; Y43-S124 WeakPolarHBondContact CE2-O 3.19Å; Y43-C125 HydrophobicContact CD2-CB 3.71Å; Y43-C125 HydrophobicContact CE2-CB 3.84Å |
| 44 | E | 86.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.6 | -66.7 | -171.7 | 147.3 | 0 | 0 | 111.6 | S42 L46 A47 D48 R103 | S42-E44 VanDerWaalsContact C-N 3.25Å; S42-E44 PolarHBondContact O-N 3.45Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.2Å; E44-A47 WeakPolarHBondContact O-CB 3.33Å; E44-A47 PolarHBondContact O-N 3.47Å; E44-D48 WeakPolarHBondContact O-CB 2.96Å; E44-D48 PolarHBondContact O-N 2.92Å; E44-R103 IonicContact OE1-CZ 3.75Å; E44-R103 IonicContact OE1-NH1 3.14Å; E44-R103 PolarHBondContact OE1-NH1 3.42Å; E44-R103 IonicContact OE1-NH2 2.89Å; E44-R103 PolarHBondContact OE1-NH2 3.2Å |
| 45 | K | 90.4 | Very high | 84.4 | Confident | 160 Ų | 160 | 70.2 Ų | 70.2 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 177.1 | -65.9 | -177.6 | -179.9 | 175.6 | 0 | 111.8 | S42 Y43 Y49 | S42-K45 PolarHBondContact O-N 2.99Å; S42-K45 VanDerWaalsContact O-N 3.08Å; Y43-K45 PolarHBondContact O-N 3.42Å; K45-Y49 WeakPolarHBondContact O-CB 3.15Å; K45-Y49 PolarHBondContact O-N 3.17Å |
| 46 | L | 86.1 | Confident | 83.1 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 174.3 | -99.3 | 148 | 0 | 0 | 0 | 111.2 | A38 S42 Y43 E44 Y49 Y50 F115 | A38-L46 VanDerWaalsContact C-CD1 3.45Å; A38-L46 HydrophobicContact CB-CD1 4.14Å; A38-L46 WeakPolarHBondContact O-CD1 3.44Å; S42-L46 PolarHBondContact O-N 3.3Å; Y43-L46 WeakPolarHBondContact O-CB 3.43Å; Y43-L46 PolarHBondContact O-N 2.9Å; E44-L46 VanDerWaalsContact C-N 3.28Å; E44-L46 PolarHBondContact O-N 3.2Å; L46-Y49 WeakPolarHBondContact O-CB 3.46Å; L46-Y49 PolarHBondContact O-N 3.17Å; L46-Y50 HydrophobicContact CD2-CD2 4.3Å; L46-Y50 HydrophobicContact CD2-CE2 3.74Å; L46-Y50 WeakPolarHBondContact O-CD2 3.5Å; L46-Y50 PolarHBondContact O-N 3.44Å; L46-F115 HydrophobicContact CB-CD1 4.17Å; L46-F115 HydrophobicContact CB-CE1 4.46Å |
| 47 | A | 85 | Confident | 81.8 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.1 | -51.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y43 E44 Y49 Y50 S51 F115 C125 | Y43-A47 WeakPolarHBondContact O-CB 3.14Å; Y43-A47 PolarHBondContact O-N 3.48Å; E44-A47 WeakPolarHBondContact O-CB 3.33Å; E44-A47 PolarHBondContact O-N 3.47Å; A47-Y49 VanDerWaalsContact C-N 3.31Å; A47-Y49 PolarHBondContact O-N 3.25Å; A47-Y50 CarbonylContact O-C 3.57Å; A47-Y50 PolarHBondContact O-N 3.14Å; A47-S51 PolarHBondContact O-N 2.98Å; A47-S51 PolarHBondContact O-OG 3.24Å; A47-S51 VanDerWaalsContact O-OG 3.06Å; A47-F115 HydrophobicContact CB-CD2 4.11Å; A47-F115 HydrophobicContact CB-CE2 4.29Å; A47-C125 HydrophobicContact CB-CB 4.21Å |
| 48 | D | 86.1 | Confident | 80.5 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.4 | -43.1 | 176.5 | -81 | -13.4 | 0 | 0 | 0 | 112.9 | E44 Y50 S51 R52 | E44-D48 WeakPolarHBondContact O-CB 2.96Å; E44-D48 PolarHBondContact O-N 2.92Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.22Å; D48-S51 PolarHBondContact O-N 3.36Å; D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 WeakPolarHBondContact O-CG 3.43Å; D48-R52 PolarHBondContact O-N 2.51Å |
| 49 | Y | 87.3 | Confident | 79.6 | Confident | 139 Ų | 139 | 72.7 Ų | 72.7 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.3 | 173.8 | -98.8 | 0 | 0 | 0 | 111.5 | K45 L46 A47 R52 K53 | K45-Y49 WeakPolarHBondContact O-CB 3.15Å; K45-Y49 PolarHBondContact O-N 3.17Å; L46-Y49 WeakPolarHBondContact O-CB 3.46Å; L46-Y49 PolarHBondContact O-N 3.17Å; A47-Y49 VanDerWaalsContact C-N 3.31Å; A47-Y49 PolarHBondContact O-N 3.25Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y49-K53 WeakPolarHBondContact O-CA 3.11Å; Y49-K53 WeakPolarHBondContact O-CB 3.23Å; Y49-K53 PolarHBondContact O-N 3.21Å |
| 50 | Y | 82.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.1 | -29.2 | 177.9 | -79.9 | -70.6 | 0 | 0 | 0 | 113.3 | L46 A47 D48 R52 K53 F115 | L46-Y50 HydrophobicContact CD2-CD2 4.3Å; L46-Y50 HydrophobicContact CD2-CE2 3.74Å; L46-Y50 WeakPolarHBondContact O-CD2 3.5Å; L46-Y50 PolarHBondContact O-N 3.44Å; A47-Y50 CarbonylContact O-C 3.57Å; A47-Y50 PolarHBondContact O-N 3.14Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.22Å; Y50-R52 VanDerWaalsContact C-N 3.35Å; Y50-K53 HydrophobicContact CD1-CD 4.26Å; Y50-K53 HydrophobicContact CE1-CD 4.45Å; Y50-F115 AromaticContact CD2-CE1 3.44Å; Y50-F115 HydrophobicContact CD2-CE1 3.44Å; Y50-F115 VanDerWaalsContact CD2-CE1 3.44Å; Y50-F115 AromaticContact CD2-CZ 3.38Å; Y50-F115 HydrophobicContact CD2-CZ 3.38Å; Y50-F115 AromaticContact CE2-CE1 3.67Å; Y50-F115 HydrophobicContact CE2-CE1 3.67Å; Y50-F115 HydrophobicContact CE2-CZ 4.04Å; Y50-F115 HydrophobicContact CG-CE1 4.41Å; Y50-F115 AromaticContact CG-CZ 3.94Å; Y50-F115 HydrophobicContact CG-CZ 3.94Å |
| 51 | S | 80.4 | Confident | 79.2 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.3 | -29.9 | 173.2 | -59 | 0 | 0 | 0 | 0 | 112.6 | A47 D48 V105 S106 | A47-S51 PolarHBondContact O-N 2.98Å; A47-S51 PolarHBondContact O-OG 3.24Å; A47-S51 VanDerWaalsContact O-OG 3.06Å; D48-S51 PolarHBondContact O-N 3.36Å; S51-V105 WeakPolarHBondContact OG-CG1 3.23Å; S51-S106 WeakPolarHBondContact CB-O 3.49Å; S51-S106 PolarHBondContact OG-O 2.74Å |
| 52 | R | 78.3 | Confident | 79.2 | Confident | 154 Ų | 154 | 78.7 Ų | 78.7 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -105.2 | 4.1 | -177.9 | -62.6 | -178.3 | -171.3 | -177 | 4.9 | 114.5 | D48 Y49 Y50 D54 K55 I58 | D48-R52 WeakPolarHBondContact O-CB 3.44Å; D48-R52 WeakPolarHBondContact O-CG 3.43Å; D48-R52 PolarHBondContact O-N 2.51Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y50-R52 VanDerWaalsContact C-N 3.35Å; R52-D54 PolarHBondContact O-N 2.86Å; R52-K55 PolarHBondContact O-N 3.29Å; R52-I58 HydrophobicContact CG-CD1 4.14Å; R52-I58 HydrophobicContact CG-CG1 4.29Å |
| 53 | K | 67.9 | Low | 79.1 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29 | -166.3 | -172 | 173.7 | 175.6 | 179.6 | 0 | 114 | Y49 Y50 | Y49-K53 WeakPolarHBondContact O-CA 3.11Å; Y49-K53 WeakPolarHBondContact O-CB 3.23Å; Y49-K53 PolarHBondContact O-N 3.21Å; Y50-K53 HydrophobicContact CD1-CD 4.26Å; Y50-K53 HydrophobicContact CE1-CD 4.45Å |
| 54 | D | 66 | Low | 79.2 | Confident | 57 Ų | 57 | 86 Ų | 86 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 9.1 | -176.6 | -67.5 | -58.1 | 0 | 0 | 0 | 114 | R52 E56 S108 K144 | R52-D54 PolarHBondContact O-N 2.86Å; D54-E56 HydrophobicContact CB-CG 4.47Å; D54-E56 PolarHBondContact O-N 3.33Å; D54-S108 WeakPolarHBondContact OD2-CB 3.29Å; D54-S108 PolarHBondContact OD2-OG 3.31Å; D54-K144 IonicContact OD1-NZ 2.96Å; D54-K144 PolarHBondContact OD1-NZ 3.06Å; D54-K144 IonicContact OD2-NZ 3.2Å; D54-K144 PolarHBondContact OD2-NZ 2.87Å |
| 55 | K | 64.6 | Low | 79.3 | Confident | 203 Ų | 203 | 82 Ų | 82 | 88% | 0.883 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 56.4 | 8.7 | -173.5 | -57.9 | -178.8 | 177.9 | -179.6 | 0 | 114.6 | R52 | R52-K55 PolarHBondContact O-N 3.29Š|
| 56 | E | 64.2 | Low | 79.3 | Confident | 102 Ų | 102 | 78.7 Ų | 78.7 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -80.9 | 153.7 | 175.2 | -71.7 | 174.7 | -160 | 0 | 0 | 109.8 | D54 I58 | D54-E56 HydrophobicContact CB-CG 4.47Å; D54-E56 PolarHBondContact O-N 3.33Å; E56-I58 PolarHBondContact O-N 2.93Å |
| 57 | A | 64.6 | Low | 79.5 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 77% | 0.769 | 40% | 0.399 | S | S | * | . | trans | -57.7 | 132.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V59 | A57-V59 PolarHBondContact O-N 3.25Š| ||
| 58 | I | 65.2 | Low | 79.8 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 43% | 0.431 | 41% | 0.406 | S | S | . | . | trans | -56.8 | 114.8 | 177.9 | -60.4 | 171.9 | 0 | 0 | 0 | 107.3 | R52 E56 K60 | R52-I58 HydrophobicContact CG-CD1 4.14Å; R52-I58 HydrophobicContact CG-CG1 4.29Å; E56-I58 PolarHBondContact O-N 2.93Å; I58-K60 PolarHBondContact O-N 2.92Å; I58-K60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | V | 71.5 | Confident | 79.9 | Confident | 34 Ų | 34 | 79.1 Ų | 79.1 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | trans | -66.4 | 112.8 | 174 | 178.8 | 0 | 0 | 0 | 0 | 106.7 | A57 S106 C133 | A57-V59 PolarHBondContact O-N 3.25Å; V59-S106 WeakPolarHBondContact O-CB 3.43Å; V59-S106 PolarHBondContact O-OG 2.96Å; V59-C133 HydrophobicContact CG1-CB 3.93Å | ||
| 60 | K | 83.9 | Confident | 80 | Confident | 142 Ų | 142 | 76.7 Ų | 76.7 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 139.5 | 174.8 | -164.7 | -160.6 | 172.4 | -151 | 0 | 108.3 | I58 P62 D63 | I58-K60 PolarHBondContact O-N 2.92Å; I58-K60 VanDerWaalsContact O-N 3.12Å; K60-P62 WeakPolarHBondContact O-CD 3.28Å; K60-D63 IonicContact NZ-OD1 2.74Å; K60-D63 PolarHBondContact NZ-OD1 2.92Å |
| 61 | I | 85.7 | Confident | 80.4 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.4 | 168.4 | -60 | 175.8 | 0 | 0 | 0 | 106.4 | L65 E66 I69 F104 V128 | I61-L65 HydrophobicContact CG2-CB 4.06Å; I61-L65 HydrophobicContact CG2-CD2 4.17Å; I61-L65 HydrophobicContact CG2-CG 4.09Å; I61-E66 HydrophobicContact CG2-CB 4.27Å; I61-I69 HydrophobicContact CG2-CD1 4.37Å; I61-F104 HydrophobicContact CD1-CB 4.16Å; I61-V128 HydrophobicContact CD1-CB 4.22Å; I61-V128 HydrophobicContact CD1-CG2 3.91Å |
| 62 | P | 88.1 | Confident | 81 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 20% | 0.201 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 147.6 | 175.6 | -21.6 | 30.3 | 0 | 0 | 0 | 111.4 | K60 D64 L65 E66 C133 | K60-P62 WeakPolarHBondContact O-CD 3.28Å; P62-D64 VanDerWaalsContact C-N 3.26Å; P62-D64 WeakPolarHBondContact CB-OD1 3.38Å; P62-D64 PolarHBondContact O-N 3.38Å; P62-L65 HydrophobicContact CB-CB 4.43Å; P62-L65 PolarHBondContact O-N 3.21Å; P62-L65 VanDerWaalsContact O-N 3.07Å; P62-E66 PolarHBondContact O-N 3.43Å; P62-C133 HydrophobicContact CG-CB 4.02Å; P62-C133 WeakPolarHBondContact CG-O 3.3Å |
| 63 | D | 88.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -34.7 | -175.9 | -56.6 | -18.3 | 0 | 0 | 0 | 111.5 | K60 L65 E66 D67 | K60-D63 IonicContact NZ-OD1 2.74Å; K60-D63 PolarHBondContact NZ-OD1 2.92Å; D63-L65 PolarHBondContact O-N 3.32Å; D63-E66 WeakPolarHBondContact O-CB 3.47Å; D63-E66 PolarHBondContact O-N 3.32Å; D63-D67 VanDerWaalsContact O-CG 3.28Å; D63-D67 PolarHBondContact O-N 3.46Å |
| 64 | D | 90.5 | Very high | 82.3 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.3 | -35.1 | 175.8 | 66 | -55.4 | 0 | 0 | 0 | 113.2 | P62 L68 | P62-D64 VanDerWaalsContact C-N 3.26Å; P62-D64 WeakPolarHBondContact CB-OD1 3.38Å; P62-D64 PolarHBondContact O-N 3.38Å; D64-L68 WeakPolarHBondContact O-CB 3.43Å; D64-L68 PolarHBondContact O-N 2.8Å |
| 65 | L | 89.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -77.3 | -33.2 | 174.8 | -175.9 | 59 | 0 | 0 | 0 | 111.2 | I61 P62 D63 L68 I69 V128 L132 K175 I179 | I61-L65 HydrophobicContact CG2-CB 4.06Å; I61-L65 HydrophobicContact CG2-CD2 4.17Å; I61-L65 HydrophobicContact CG2-CG 4.09Å; P62-L65 HydrophobicContact CB-CB 4.43Å; P62-L65 PolarHBondContact O-N 3.21Å; P62-L65 VanDerWaalsContact O-N 3.07Å; D63-L65 PolarHBondContact O-N 3.32Å; L65-L68 HydrophobicContact CD1-CD2 3.98Å; L65-I69 HydrophobicContact CG-CD1 4.13Å; L65-I69 WeakPolarHBondContact O-CB 3.26Å; L65-I69 WeakPolarHBondContact O-CD1 3.41Å; L65-I69 WeakPolarHBondContact O-CG1 3.19Å; L65-I69 PolarHBondContact O-N 3.35Å; L65-V128 HydrophobicContact CD2-CG1 4.05Å; L65-L132 HydrophobicContact CD2-CB 4Å; L65-K175 HydrophobicContact CD1-CD 4.45Å; L65-I179 HydrophobicContact CD1-CD1 4.39Å |
| 66 | E | 89.3 | Confident | 84.4 | Confident | 92 Ų | 92 | 61.1 Ų | 61.1 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 173.7 | -172.3 | 170.2 | 178.7 | 0 | 0 | 110.8 | I61 P62 D63 L68 I69 M70 | I61-E66 HydrophobicContact CG2-CB 4.27Å; P62-E66 PolarHBondContact O-N 3.43Å; D63-E66 WeakPolarHBondContact O-CB 3.47Å; D63-E66 PolarHBondContact O-N 3.32Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 3.12Å; E66-I69 WeakPolarHBondContact O-CB 3.15Å; E66-I69 PolarHBondContact O-N 3.02Å; E66-I69 VanDerWaalsContact O-N 3.12Å; E66-M70 WeakPolarHBondContact O-CG 3.37Å; E66-M70 PolarHBondContact O-N 3.06Å |
| 67 | D | 89.6 | Confident | 85.3 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.5 | -47.7 | 175.3 | -71 | -19.3 | 0 | 0 | 0 | 111.2 | D63 I69 M70 D71 | D63-D67 VanDerWaalsContact O-CG 3.28Å; D63-D67 PolarHBondContact O-N 3.46Å; D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.18Å; D67-M70 PolarHBondContact O-N 2.87Å; D67-M70 VanDerWaalsContact O-N 3.1Å; D67-D71 PolarHBondContact O-N 3.26Å |
| 68 | L | 91.4 | Very high | 86.2 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.2 | -171.8 | 111.8 | 0 | 0 | 0 | 112 | D64 L65 E66 M70 E72 K175 R176 I179 | D64-L68 WeakPolarHBondContact O-CB 3.43Å; D64-L68 PolarHBondContact O-N 2.8Å; L65-L68 HydrophobicContact CD1-CD2 3.98Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 3.12Å; L68-M70 VanDerWaalsContact C-N 3.35Å; L68-E72 VanDerWaalsContact O-CG 3.25Å; L68-E72 WeakPolarHBondContact O-CG 3.33Å; L68-E72 PolarHBondContact O-N 3.29Å; L68-E72 VanDerWaalsContact O-N 3.17Å; L68-K175 HydrophobicContact CD2-CB 3.87Å; L68-R176 HydrophobicContact CD1-CG 3.74Å; L68-R176 HydrophobicContact CD2-CG 4.16Å; L68-R176 HydrophobicContact CG-CG 4.06Å; L68-I179 HydrophobicContact CD2-CD1 3.43Å; L68-I179 VanDerWaalsContact CD2-CD1 3.43Å; L68-I179 HydrophobicContact CG-CD1 4.45Å |
| 69 | I | 89.6 | Confident | 87 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175 | -74.5 | 164.3 | 0 | 0 | 0 | 110.4 | I61 L65 E66 D67 E72 V73 F104 V128 I179 | I61-I69 HydrophobicContact CG2-CD1 4.37Å; L65-I69 HydrophobicContact CG-CD1 4.13Å; L65-I69 WeakPolarHBondContact O-CB 3.26Å; L65-I69 WeakPolarHBondContact O-CD1 3.41Å; L65-I69 WeakPolarHBondContact O-CG1 3.19Å; L65-I69 PolarHBondContact O-N 3.35Å; E66-I69 WeakPolarHBondContact O-CB 3.15Å; E66-I69 PolarHBondContact O-N 3.02Å; E66-I69 VanDerWaalsContact O-N 3.12Å; D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.18Å; I69-E72 PolarHBondContact O-N 2.77Å; I69-V73 HydrophobicContact CG2-CG2 4.23Å; I69-V73 WeakPolarHBondContact O-CB 3.39Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.11Å; I69-V73 PolarHBondContact O-N 2.68Å; I69-F104 HydrophobicContact CD1-CD1 4.15Å; I69-F104 HydrophobicContact CD1-CG 4.38Å; I69-F104 HydrophobicContact CG2-CD1 3.92Å; I69-F104 HydrophobicContact CG2-CD2 3.48Å; I69-F104 VanDerWaalsContact CG2-CD2 3.48Å; I69-F104 HydrophobicContact CG2-CE1 3.84Å; I69-F104 HydrophobicContact CG2-CE2 3.4Å; I69-F104 VanDerWaalsContact CG2-CE2 3.4Å; I69-F104 HydrophobicContact CG2-CG 3.74Å; I69-F104 HydrophobicContact CG2-CZ 3.58Å; I69-V128 HydrophobicContact CD1-CG2 3.94Å; I69-I179 HydrophobicContact CG1-CD1 3.54Å; I69-I179 HydrophobicContact CG1-CG1 4.11Å |
| 70 | M | 89.1 | Confident | 87 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | -178.4 | -69.3 | -57.6 | -64.1 | 0 | 0 | 112 | E66 D67 L68 E72 V73 E74 W100 | E66-M70 WeakPolarHBondContact O-CG 3.37Å; E66-M70 PolarHBondContact O-N 3.06Å; D67-M70 PolarHBondContact O-N 2.87Å; D67-M70 VanDerWaalsContact O-N 3.1Å; L68-M70 VanDerWaalsContact C-N 3.35Å; M70-E72 VanDerWaalsContact C-N 3.33Å; M70-E72 PolarHBondContact O-N 3.08Å; M70-V73 PolarHBondContact O-N 3.32Å; M70-E74 WeakPolarHBondContact O-CB 3.11Å; M70-E74 PolarHBondContact O-N 3.15Å; M70-W100 HydrophobicContact CE-CZ3 3.92Å |
| 71 | D | 91.2 | Very high | 86.4 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.7 | -44.6 | 174.1 | -74.9 | -12.1 | 0 | 0 | 0 | 111.5 | D67 E74 L75 | D67-D71 PolarHBondContact O-N 3.26Å; D71-E74 PolarHBondContact O-N 3.02Å; D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 PolarHBondContact O-N 3.06Å |
| 72 | E | 91.7 | Very high | 85.6 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -37.1 | 179.3 | -67.4 | -53.7 | 144 | 0 | 0 | 112.3 | L68 I69 M70 L75 F76 R176 I179 Q180 Y268 | L68-E72 VanDerWaalsContact O-CG 3.25Å; L68-E72 WeakPolarHBondContact O-CG 3.33Å; L68-E72 PolarHBondContact O-N 3.29Å; L68-E72 VanDerWaalsContact O-N 3.17Å; I69-E72 PolarHBondContact O-N 2.77Å; M70-E72 VanDerWaalsContact C-N 3.33Å; M70-E72 PolarHBondContact O-N 3.08Å; E72-L75 PolarHBondContact O-N 2.98Å; E72-F76 VanDerWaalsContact O-CB 3.27Å; E72-F76 WeakPolarHBondContact O-CB 3.17Å; E72-F76 PolarHBondContact O-N 2.92Å; E72-R176 HydrophobicContact CG-CB 4.38Å; E72-R176 HydrophobicContact CG-CG 4.36Å; E72-R176 WeakPolarHBondContact OE1-CG 3.36Å; E72-R176 IonicContact OE1-CZ 2.77Å; E72-R176 IonicContact OE1-NE 3.07Å; E72-R176 PolarHBondContact OE1-NE 2.91Å; E72-R176 IonicContact OE1-NH2 3.33Å; E72-R176 PolarHBondContact OE1-NH2 3.46Å; E72-R176 VanDerWaalsContact OE1-NH2 3.07Å; E72-I179 HydrophobicContact CB-CG2 3.77Å; E72-I179 HydrophobicContact CG-CG2 4.32Å; E72-Q180 HydrophobicContact CB-CG 4.38Å; E72-Q180 HydrophobicContact CG-CG 4.47Å; E72-Q180 PolarHBondContact O-NE2 3.12Å; E72-Q180 VanDerWaalsContact OE2-CD 3.31Å; E72-Q180 WeakPolarHBondContact OE2-CG 2.95Å; E72-Q180 PolarHBondContact OE2-NE2 2.92Å; E72-Y268 PolarHBondContact OE1-OH 3Å; E72-Y268 VanDerWaalsContact OE1-OH 3.13Å; E72-Y268 WeakPolarHBondContact OE2-CE1 3.22Å; E72-Y268 PolarHBondContact OE2-OH 2.86Å |
| 73 | V | 87.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 172.7 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | I69 M70 F76 A77 W100 Y102 F104 L183 | I69-V73 HydrophobicContact CG2-CG2 4.23Å; I69-V73 WeakPolarHBondContact O-CB 3.39Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.11Å; I69-V73 PolarHBondContact O-N 2.68Å; M70-V73 PolarHBondContact O-N 3.32Å; V73-F76 PolarHBondContact O-N 2.71Å; V73-A77 VanDerWaalsContact O-CB 3.29Å; V73-A77 WeakPolarHBondContact O-CB 3.34Å; V73-A77 PolarHBondContact O-N 3.1Å; V73-W100 HydrophobicContact CG1-CE3 3.96Å; V73-W100 HydrophobicContact CG1-CH2 3.85Å; V73-W100 HydrophobicContact CG1-CZ3 3.47Å; V73-W100 VanDerWaalsContact CG1-CZ3 3.47Å; V73-Y102 HydrophobicContact CG1-CE2 4.45Å; V73-Y102 WeakPolarHBondContact CG1-OH 3.49Å; V73-Y102 HydrophobicContact CG2-CE2 3.91Å; V73-F104 HydrophobicContact CG2-CE2 3.65Å; V73-F104 HydrophobicContact CG2-CZ 3.96Å; V73-L183 HydrophobicContact CG2-CD1 4.17Å; V73-L183 HydrophobicContact CG2-CD2 4.18Å |
| 74 | E | 87.5 | Confident | 83 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 178.5 | -175.6 | 172.5 | -178.6 | 0 | 0 | 111 | M70 D71 F76 A77 Q78 | M70-E74 WeakPolarHBondContact O-CB 3.11Å; M70-E74 PolarHBondContact O-N 3.15Å; D71-E74 PolarHBondContact O-N 3.02Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 3.35Å; E74-A77 PolarHBondContact O-N 3.11Å; E74-Q78 HydrophobicContact CG-CG 4.2Å; E74-Q78 WeakPolarHBondContact O-CB 3.26Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.2Å; E74-Q78 PolarHBondContact O-N 2.77Å; E74-Q78 PolarHBondContact OE1-NE2 2.94Å |
| 75 | L | 88.6 | Confident | 81.5 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 176 | 178.7 | 63.7 | 0 | 0 | 0 | 111.7 | D71 E72 Q78 K79 Y268 | D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 PolarHBondContact O-N 3.06Å; E72-L75 PolarHBondContact O-N 2.98Å; L75-Q78 PolarHBondContact O-N 2.99Å; L75-K79 PolarHBondContact O-N 3.1Å; L75-K79 VanDerWaalsContact O-N 3.11Å; L75-Y268 WeakPolarHBondContact CD2-OH 3.42Å |
| 76 | F | 86 | Confident | 80.1 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.8 | -178.7 | -94.3 | 0 | 0 | 0 | 111.1 | E72 V73 E74 R80 L183 H184 W187 | E72-F76 VanDerWaalsContact O-CB 3.27Å; E72-F76 WeakPolarHBondContact O-CB 3.17Å; E72-F76 PolarHBondContact O-N 2.92Å; V73-F76 PolarHBondContact O-N 2.71Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 3.35Å; F76-R80 HydrophobicContact CD1-CG 4.17Å; F76-R80 HydrophobicContact CE1-CG 3.76Å; F76-R80 HydrophobicContact CE2-CG 4.19Å; F76-R80 HydrophobicContact CZ-CG 3.78Å; F76-R80 VanDerWaalsContact O-CB 3.26Å; F76-R80 WeakPolarHBondContact O-CB 3.48Å; F76-R80 WeakPolarHBondContact O-CG 3.34Å; F76-R80 PolarHBondContact O-N 3.05Å; F76-L183 HydrophobicContact CB-CD1 3.95Å; F76-L183 HydrophobicContact CD1-CB 4.45Å; F76-L183 HydrophobicContact CD2-CB 3.96Å; F76-L183 HydrophobicContact CE2-CB 4.15Å; F76-L183 HydrophobicContact CG-CB 4.11Å; F76-L183 HydrophobicContact CG-CD1 4.24Å; F76-L183 HydrophobicContact CZ-CB 4.48Å; F76-H184 AromaticContact CD2-CD2 3.78Å; F76-H184 AromaticContact CD2-NE2 3.66Å; F76-H184 AromaticContact CE2-CD2 3.61Å; F76-H184 AromaticContact CE2-CE1 3.84Å; F76-H184 AromaticContact CE2-CG 3.78Å; F76-H184 AromaticContact CE2-ND1 3.91Å; F76-H184 AromaticContact CE2-NE2 3.64Å; F76-W187 AromaticContact CE1-CD1 3.4Å; F76-W187 HydrophobicContact CE1-CD2 4.35Å; F76-W187 AromaticContact CE1-CG 3.88Å; F76-W187 HydrophobicContact CE1-CG 3.88Å; F76-W187 AromaticContact CE1-NE1 3.59Å; F76-W187 HydrophobicContact CZ-CB 3.96Å; F76-W187 AromaticContact CZ-CD1 3.57Å; F76-W187 AromaticContact CZ-CG 3.75Å; F76-W187 HydrophobicContact CZ-CG 3.75Å |
| 77 | A | 82.3 | Confident | 78.5 | Confident | 10 Ų | 10 | 64 Ų | 64 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V73 E74 R80 K81 F99 | V73-A77 VanDerWaalsContact O-CB 3.29Å; V73-A77 WeakPolarHBondContact O-CB 3.34Å; V73-A77 PolarHBondContact O-N 3.1Å; E74-A77 PolarHBondContact O-N 3.11Å; A77-R80 PolarHBondContact O-N 3.19Å; A77-K81 WeakPolarHBondContact O-CA 3.26Å; A77-K81 WeakPolarHBondContact O-CB 3.46Å; A77-K81 PolarHBondContact O-N 3.32Å; A77-F99 HydrophobicContact CB-CB 4.15Å |
| 78 | Q | 84.5 | Confident | 76.4 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 178.1 | -74.4 | -179.4 | 9 | 0 | 0 | 111.4 | E74 L75 K81 A82 | E74-Q78 HydrophobicContact CG-CG 4.2Å; E74-Q78 WeakPolarHBondContact O-CB 3.26Å; E74-Q78 VanDerWaalsContact O-CG 3.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.2Å; E74-Q78 PolarHBondContact O-N 2.77Å; E74-Q78 PolarHBondContact OE1-NE2 2.94Å; L75-Q78 PolarHBondContact O-N 2.99Å; Q78-K81 PolarHBondContact O-N 3.47Å; Q78-A82 PolarHBondContact O-N 2.69Å; Q78-A82 VanDerWaalsContact O-N 3.15Å |
| 79 | K | 80.7 | Confident | 74.5 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 177.8 | -74 | -169.1 | 174.5 | -170.1 | 0 | 111.8 | L75 K81 E83 L264 | L75-K79 PolarHBondContact O-N 3.1Å; L75-K79 VanDerWaalsContact O-N 3.11Å; K79-K81 PolarHBondContact O-N 2.66Å; K79-E83 WeakPolarHBondContact O-CG 3.34Å; K79-E83 PolarHBondContact O-N 2.93Å; K79-L264 HydrophobicContact CD-CD2 3.47Å; K79-L264 VanDerWaalsContact CD-CD2 3.47Å |
| 80 | R | 72.5 | Confident | 72.5 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -36.2 | 178.5 | -80.6 | -76.6 | -164.4 | 150.8 | -0.8 | 113.7 | F76 A77 E83 S84 F99 F336 | F76-R80 HydrophobicContact CD1-CG 4.17Å; F76-R80 HydrophobicContact CE1-CG 3.76Å; F76-R80 HydrophobicContact CE2-CG 4.19Å; F76-R80 HydrophobicContact CZ-CG 3.78Å; F76-R80 VanDerWaalsContact O-CB 3.26Å; F76-R80 WeakPolarHBondContact O-CB 3.48Å; F76-R80 WeakPolarHBondContact O-CG 3.34Å; F76-R80 PolarHBondContact O-N 3.05Å; A77-R80 PolarHBondContact O-N 3.19Å; R80-E83 PolarHBondContact O-N 3.2Å; R80-S84 VanDerWaalsContact O-CB 3.23Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.2Å; R80-S84 PolarHBondContact O-OG 2.98Å; R80-F99 HydrophobicContact CB-CD1 4.09Å; R80-F99 HydrophobicContact CB-CE1 3.55Å; R80-F99 HydrophobicContact CB-CZ 4.18Å; R80-F99 HydrophobicContact CG-CE1 4.33Å; R80-F336 VanDerWaalsContact NH2-CD2 3.29Å |
| 81 | K | 70.3 | Confident | 70.3 | Confident | 116 Ų | 116 | 73 Ų | 73 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | -179.2 | -171.7 | 173.2 | -178.4 | 176 | 0 | 110.6 | A77 Q78 K79 E83 S84 V85 F99 | A77-K81 WeakPolarHBondContact O-CA 3.26Å; A77-K81 WeakPolarHBondContact O-CB 3.46Å; A77-K81 PolarHBondContact O-N 3.32Å; Q78-K81 PolarHBondContact O-N 3.47Å; K79-K81 PolarHBondContact O-N 2.66Å; K81-E83 VanDerWaalsContact C-N 3.27Å; K81-E83 PolarHBondContact O-N 3.14Å; K81-S84 WeakPolarHBondContact CA-OG 3.38Å; K81-S84 PolarHBondContact O-N 3.41Å; K81-S84 PolarHBondContact O-OG 3.47Å; K81-V85 HydrophobicContact CG-CG2 4.15Å; K81-V85 WeakPolarHBondContact O-CB 3.35Å; K81-V85 VanDerWaalsContact O-CG2 3.24Å; K81-V85 WeakPolarHBondContact O-CG2 3.23Å; K81-V85 PolarHBondContact O-N 3.4Å; K81-F99 HydrophobicContact CB-CE2 4.43Å |
| 82 | A | 68.5 | Low | 68.3 | Low | 70 Ų | 70 | 77.1 Ų | 77.1 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q78 | Q78-A82 PolarHBondContact O-N 2.69Å; Q78-A82 VanDerWaalsContact O-N 3.15Å |
| 83 | E | 63.1 | Low | 66.1 | Low | 54 Ų | 54 | 80.6 Ų | 80.6 | 25% | 0.252 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 179.1 | -77.7 | 171.8 | -168 | 0 | 0 | 114.9 | K79 R80 K81 P335 | K79-E83 WeakPolarHBondContact O-CG 3.34Å; K79-E83 PolarHBondContact O-N 2.93Å; R80-E83 PolarHBondContact O-N 3.2Å; K81-E83 VanDerWaalsContact C-N 3.27Å; K81-E83 PolarHBondContact O-N 3.14Å; E83-P335 HydrophobicContact CB-CB 3.8Å; E83-P335 HydrophobicContact CB-CG 3.73Å; E83-P335 HydrophobicContact CG-CB 4.07Å; E83-P335 HydrophobicContact CG-CG 3.82Å; E83-P335 VanDerWaalsContact OE2-CA 3.28Å; E83-P335 WeakPolarHBondContact OE2-CA 3.19Å; E83-P335 VanDerWaalsContact OE2-CB 3.23Å; E83-P335 WeakPolarHBondContact OE2-CB 3.36Å |
| 84 | S | 59.9 | Low | 64.4 | Low | 20 Ų | 20 | 85.2 Ų | 85.2 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -80.5 | -34.9 | -174.8 | 54 | 0 | 0 | 0 | 0 | 112.8 | R80 K81 D86 K87 L88 F99 | R80-S84 VanDerWaalsContact O-CB 3.23Å; R80-S84 WeakPolarHBondContact O-CB 3.44Å; R80-S84 PolarHBondContact O-N 3.2Å; R80-S84 PolarHBondContact O-OG 2.98Å; K81-S84 WeakPolarHBondContact CA-OG 3.38Å; K81-S84 PolarHBondContact O-N 3.41Å; K81-S84 PolarHBondContact O-OG 3.47Å; S84-D86 VanDerWaalsContact C-N 3.25Å; S84-D86 PolarHBondContact O-N 2.68Å; S84-K87 PolarHBondContact O-N 3.41Å; S84-K87 VanDerWaalsContact O-N 3.16Å; S84-L88 WeakPolarHBondContact O-CB 2.89Å; S84-L88 PolarHBondContact O-N 3.27Å; S84-F99 WeakPolarHBondContact OG-CZ 3.41Å |
| 85 | V | 59.8 | Low | 62.5 | Low | 95 Ų | 95 | 92.3 Ų | 92.3 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.6 | -37.4 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | K81 | K81-V85 HydrophobicContact CG-CG2 4.15Å; K81-V85 WeakPolarHBondContact O-CB 3.35Å; K81-V85 VanDerWaalsContact O-CG2 3.24Å; K81-V85 WeakPolarHBondContact O-CG2 3.23Å; K81-V85 PolarHBondContact O-N 3.4Å |
| 86 | D | 59.3 | Low | 60.8 | Low | 150 Ų | 150 | 92.4 Ų | 92.4 | 80% | 0.802 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -34.4 | 175.7 | -103.1 | 9.5 | 0 | 0 | 0 | 113.2 | S84 | S84-D86 VanDerWaalsContact C-N 3.25Å; S84-D86 PolarHBondContact O-N 2.68Å |
| 87 | K | 55.5 | Low | 59.6 | Low | 133 Ų | 133 | 95.9 Ų | 95.9 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -98.4 | -30.8 | -173.2 | -71.9 | -170.8 | 178.1 | -174.8 | 0 | 115.4 | S84 P335 | S84-K87 PolarHBondContact O-N 3.41Å; S84-K87 VanDerWaalsContact O-N 3.16Å; K87-P335 HydrophobicContact CD-CG 3.99Å |
| 88 | L | 44.9 | Very low | 58.6 | Low | 75 Ų | 75 | 97.8 Ų | 97.8 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -96.1 | -6.2 | -172.3 | -83.4 | 151.8 | 0 | 0 | 0 | 114.2 | S84 S90 F91 | S84-L88 WeakPolarHBondContact O-CB 2.89Å; S84-L88 PolarHBondContact O-N 3.27Å; L88-S90 PolarHBondContact O-N 2.83Å; L88-F91 PolarHBondContact O-N 3.4Å |
| 89 | G | 52.8 | Low | 57.8 | Low | 60 Ų | 60 | 93 Ų | 93 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -136.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F91 | G89-F91 VanDerWaalsContact C-N 3.3Å; G89-F91 PolarHBondContact O-N 3.2Å |
| 90 | S | 47.7 | Very low | 57.3 | Low | 121 Ų | 121 | 95 Ų | 95 | 85% | 0.846 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.6 | -175.5 | 63.9 | 0 | 0 | 0 | 0 | 115.7 | L88 K92 | L88-S90 PolarHBondContact O-N 2.83Å; S90-K92 PolarHBondContact O-N 2.86Å |
| 91 | F | 42.3 | Very low | 57.7 | Low | 156 Ų | 156 | 95.6 Ų | 95.6 | 68% | 0.684 | 51% | 0.51 | S | S | * | . | trans | -73.8 | 91.3 | -177.4 | -158.7 | -92.2 | 0 | 0 | 0 | 111.2 | L88 G89 | L88-F91 PolarHBondContact O-N 3.4Å; G89-F91 VanDerWaalsContact C-N 3.3Å; G89-F91 PolarHBondContact O-N 3.2Å | ||
| 92 | K | 49.2 | Very low | 58.2 | Low | 190 Ų | 190 | 91 Ų | 91 | 83% | 0.826 | 49% | 0.489 | S | S | * | . | trans | -99.1 | 118.5 | 172.9 | -68.5 | -176.4 | 178.2 | -179.5 | 0 | 109.7 | S90 A94 | S90-K92 PolarHBondContact O-N 2.86Å; K92-A94 PolarHBondContact O-N 2.84Å | ||
| 93 | L | 45.2 | Very low | 59 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 40% | 0.398 | 49% | 0.488 | S | S | . | . | trans | -62.6 | 126.2 | 162.3 | -85.9 | 157.2 | 0 | 0 | 0 | 108.4 | R95 F121 | L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.46Å; L93-R95 VanDerWaalsContact O-N 3.08Å; L93-F121 HydrophobicContact CD2-CE1 3.85Å; L93-F121 HydrophobicContact CD2-CZ 4.1Å | ||
| 94 | A | 51.3 | Low | 60.2 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -69.8 | -9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K92 | K92-A94 PolarHBondContact O-N 2.84Š|
| 95 | R | 48.2 | Very low | 61.5 | Low | 246 Ų | 246 | 95.1 Ų | 95.1 | 93% | 0.928 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -143.5 | -5.7 | -167.7 | -73.5 | -171.4 | -177.7 | 169.9 | 0.8 | 118.1 | L93 | L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.46Å; L93-R95 VanDerWaalsContact O-N 3.08Å |
| 96 | A | 52.9 | Low | 62.8 | Low | 49 Ų | 49 | 91 Ų | 91 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | trans | -148.3 | 130.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q98 | A96-Q98 PolarHBondContact O-N 3.17Å; A96-Q98 VanDerWaalsContact O-N 3.08Å | ||
| 97 | D | 61.3 | Low | 64.2 | Low | 75 Ų | 75 | 83.9 Ų | 83.9 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | trans | -65.7 | 112.1 | 166.6 | -170.9 | -17.5 | 0 | 0 | 0 | 106.9 | F99 W100 N101 | D97-F99 PolarHBondContact O-N 3.11Å; D97-F99 WeakPolarHBondContact OD1-CB 3.44Å; D97-F99 WeakPolarHBondContact OD1-CD2 3.47Å; D97-F99 PolarHBondContact OD1-N 2.94Å; D97-F99 VanDerWaalsContact OD1-N 3.1Å; D97-W100 PolarHBondContact O-N 3.14Å; D97-N101 PolarHBondContact O-N 3.49Å | ||
| 98 | Q | 61.5 | Low | 65.6 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -52.5 | -30.7 | -178.2 | 54.1 | -179.9 | -10.1 | 0 | 0 | 111.6 | A96 W100 N101 W187 | A96-Q98 PolarHBondContact O-N 3.17Å; A96-Q98 VanDerWaalsContact O-N 3.08Å; Q98-W100 PolarHBondContact O-N 3.38Å; Q98-N101 PolarHBondContact O-N 3.01Å; Q98-W187 HydrophobicContact CB-CH2 3.75Å; Q98-W187 HydrophobicContact CB-CZ2 4.38Å; Q98-W187 HydrophobicContact CG-CH2 3.76Å; Q98-W187 WeakPolarHBondContact O-CZ2 3.21Å |
| 99 | F | 66.9 | Low | 67.6 | Low | 12 Ų | 12 | 75.2 Ų | 75.2 | 5% | 0.053 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -70.3 | -10.3 | 177.6 | -58.4 | -61.8 | 0 | 0 | 0 | 115 | A77 R80 K81 S84 D97 Y102 W187 | A77-F99 HydrophobicContact CB-CB 4.15Å; R80-F99 HydrophobicContact CB-CD1 4.09Å; R80-F99 HydrophobicContact CB-CE1 3.55Å; R80-F99 HydrophobicContact CB-CZ 4.18Å; R80-F99 HydrophobicContact CG-CE1 4.33Å; K81-F99 HydrophobicContact CB-CE2 4.43Å; S84-F99 WeakPolarHBondContact OG-CZ 3.41Å; D97-F99 PolarHBondContact O-N 3.11Å; D97-F99 WeakPolarHBondContact OD1-CB 3.44Å; D97-F99 WeakPolarHBondContact OD1-CD2 3.47Å; D97-F99 PolarHBondContact OD1-N 2.94Å; D97-F99 VanDerWaalsContact OD1-N 3.1Å; F99-Y102 WeakPolarHBondContact O-CE1 3.39Å; F99-Y102 PolarHBondContact O-OH 3.31Å; F99-Y102 VanDerWaalsContact O-OH 3.11Å; F99-W187 AromaticContact CD1-CH2 3.84Å; F99-W187 HydrophobicContact CD1-CH2 3.84Å; F99-W187 AromaticContact CD1-CZ2 3.68Å; F99-W187 HydrophobicContact CD1-CZ2 3.68Å; F99-W187 AromaticContact CE1-CH2 3.82Å; F99-W187 HydrophobicContact CE1-CH2 3.82Å; F99-W187 HydrophobicContact CE1-CZ2 4.09Å; F99-W187 HydrophobicContact CE1-CZ3 4.34Å; F99-W187 HydrophobicContact CG-CZ2 4.47Å |
| 100 | W | 69.7 | Low | 69.3 | Low | 126 Ų | 126 | 74.6 Ų | 74.6 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -124 | 4.7 | 179.7 | -61 | 94.2 | 0 | 0 | 0 | 112.8 | M70 V73 D97 Q98 Y102 | M70-W100 HydrophobicContact CE-CZ3 3.92Å; V73-W100 HydrophobicContact CG1-CE3 3.96Å; V73-W100 HydrophobicContact CG1-CH2 3.85Å; V73-W100 HydrophobicContact CG1-CZ3 3.47Å; V73-W100 VanDerWaalsContact CG1-CZ3 3.47Å; D97-W100 PolarHBondContact O-N 3.14Å; Q98-W100 PolarHBondContact O-N 3.38Å; W100-Y102 PolarHBondContact O-N 3.42Å |
| 101 | N | 80.7 | Confident | 71.4 | Confident | 35 Ų | 35 | 74.1 Ų | 74.1 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | trans | -81.7 | 44.5 | -177 | -163.2 | 22.5 | 0 | 0 | 0 | 112.6 | D97 Q98 P118 S120 G123 S124 | D97-N101 PolarHBondContact O-N 3.49Å; Q98-N101 PolarHBondContact O-N 3.01Å; N101-P118 PolarHBondContact ND2-O 3.24Å; N101-S120 PolarHBondContact ND2-O 3.1Å; N101-G123 VanDerWaalsContact CG-CA 3.42Å; N101-G123 VanDerWaalsContact ND2-CA 3.32Å; N101-G123 WeakPolarHBondContact ND2-CA 3.15Å; N101-G123 CarbonylContact O-C 3.56Å; N101-G123 VanDerWaalsContact O-CA 3.28Å; N101-G123 WeakPolarHBondContact O-CA 3.49Å; N101-G123 VanDerWaalsContact OD1-CA 3.28Å; N101-G123 WeakPolarHBondContact OD1-CA 3.44Å; N101-S124 PolarHBondContact O-N 2.62Å; N101-S124 PolarHBondContact O-OG 3.08Å | ||
| 102 | Y | 81.4 | Confident | 73.8 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.4 | 176.5 | 55 | -88 | 0 | 0 | 0 | 111.8 | V73 F99 W100 F104 P118 S124 I126 L183 W187 | V73-Y102 HydrophobicContact CG1-CE2 4.45Å; V73-Y102 WeakPolarHBondContact CG1-OH 3.49Å; V73-Y102 HydrophobicContact CG2-CE2 3.91Å; F99-Y102 WeakPolarHBondContact O-CE1 3.39Å; F99-Y102 PolarHBondContact O-OH 3.31Å; F99-Y102 VanDerWaalsContact O-OH 3.11Å; W100-Y102 PolarHBondContact O-N 3.42Å; Y102-F104 AromaticContact CD2-CE2 3.84Å; Y102-F104 HydrophobicContact CD2-CE2 3.84Å; Y102-F104 HydrophobicContact CD2-CZ 4.36Å; Y102-F104 AromaticContact CE2-CE2 3.73Å; Y102-F104 HydrophobicContact CE2-CE2 3.73Å; Y102-F104 HydrophobicContact CE2-CZ 4.15Å; Y102-P118 HydrophobicContact CD1-CB 3.99Å; Y102-S124 CarbonylContact C-O 3.38Å; Y102-S124 WeakPolarHBondContact CA-O 3.46Å; Y102-S124 WeakPolarHBondContact CB-OG 3.27Å; Y102-I126 HydrophobicContact CD2-CD1 4.48Å; Y102-L183 HydrophobicContact CD2-CD2 4.39Å; Y102-L183 HydrophobicContact CE2-CD2 3.47Å; Y102-L183 VanDerWaalsContact CE2-CD2 3.47Å; Y102-W187 AromaticContact CE1-NE1 3.9Å |
| 103 | R | 85.6 | Confident | 75.8 | Confident | 149 Ų | 149 | 62.6 Ų | 62.6 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.7 | 177.3 | -58.1 | -174.9 | -159.6 | 142.5 | 14.7 | 110.9 | E44 S124 C125 I126 | E44-R103 IonicContact OE1-CZ 3.75Å; E44-R103 IonicContact OE1-NH1 3.14Å; E44-R103 PolarHBondContact OE1-NH1 3.42Å; E44-R103 IonicContact OE1-NH2 2.89Å; E44-R103 PolarHBondContact OE1-NH2 3.2Å; R103-S124 PolarHBondContact N-O 2.83Å; R103-C125 CarbonylContact O-C 3.53Å; R103-C125 VanDerWaalsContact O-CA 3.25Å; R103-C125 WeakPolarHBondContact O-CA 3.29Å; R103-I126 PolarHBondContact O-N 3.06Å |
| 104 | F | 87.7 | Confident | 78 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.6 | 170.4 | -69 | -96.3 | 0 | 0 | 0 | 109.6 | I61 I69 V73 Y102 I126 V128 L183 | I61-F104 HydrophobicContact CD1-CB 4.16Å; I69-F104 HydrophobicContact CD1-CD1 4.15Å; I69-F104 HydrophobicContact CD1-CG 4.38Å; I69-F104 HydrophobicContact CG2-CD1 3.92Å; I69-F104 HydrophobicContact CG2-CD2 3.48Å; I69-F104 VanDerWaalsContact CG2-CD2 3.48Å; I69-F104 HydrophobicContact CG2-CE1 3.84Å; I69-F104 HydrophobicContact CG2-CE2 3.4Å; I69-F104 VanDerWaalsContact CG2-CE2 3.4Å; I69-F104 HydrophobicContact CG2-CG 3.74Å; I69-F104 HydrophobicContact CG2-CZ 3.58Å; V73-F104 HydrophobicContact CG2-CE2 3.65Å; V73-F104 HydrophobicContact CG2-CZ 3.96Å; Y102-F104 AromaticContact CD2-CE2 3.84Å; Y102-F104 HydrophobicContact CD2-CE2 3.84Å; Y102-F104 HydrophobicContact CD2-CZ 4.36Å; Y102-F104 AromaticContact CE2-CE2 3.73Å; Y102-F104 HydrophobicContact CE2-CE2 3.73Å; Y102-F104 HydrophobicContact CE2-CZ 4.15Å; F104-I126 WeakPolarHBondContact CA-O 3.48Å; F104-I126 HydrophobicContact CD1-CB 3.78Å; F104-I126 HydrophobicContact CD1-CG2 3.9Å; F104-I126 HydrophobicContact CE1-CB 3.74Å; F104-I126 HydrophobicContact CE1-CD1 3.89Å; F104-I126 HydrophobicContact CE1-CG1 4.38Å; F104-I126 HydrophobicContact CE1-CG2 3.74Å; F104-I126 HydrophobicContact CZ-CB 4.44Å; F104-I126 HydrophobicContact CZ-CD1 3.9Å; F104-V128 HydrophobicContact CB-CG2 4.07Å; F104-V128 HydrophobicContact CD1-CG2 3.67Å; F104-V128 HydrophobicContact CG-CG2 4.35Å; F104-L183 HydrophobicContact CZ-CD2 4.03Å |
| 105 | V | 88.3 | Confident | 79.8 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.4 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | S51 C125 I126 G127 V128 | S51-V105 WeakPolarHBondContact OG-CG1 3.23Å; V105-C125 WeakPolarHBondContact CG2-SG 3.45Å; V105-I126 PolarHBondContact N-O 2.7Å; V105-G127 CarbonylContact O-C 3.57Å; V105-G127 WeakPolarHBondContact O-CA 3.34Å; V105-V128 PolarHBondContact O-N 3.48Å |
| 106 | S | 87.2 | Confident | 81.8 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136.1 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | S51 V59 V128 | S51-S106 WeakPolarHBondContact CB-O 3.49Å; S51-S106 PolarHBondContact OG-O 2.74Å; V59-S106 WeakPolarHBondContact O-CB 3.43Å; V59-S106 PolarHBondContact O-OG 2.96Å; S106-V128 CarbonylContact C-O 3.55Å |
| 107 | T | 87.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.3 | -179.6 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | F115 G127 V128 E130 | T107-F115 HydrophobicContact CG2-CE2 4.49Å; T107-G127 VanDerWaalsContact CG2-CA 3.48Å; T107-V128 PolarHBondContact N-O 2.97Å; T107-V128 PolarHBondContact OG1-O 3.17Å; T107-V128 VanDerWaalsContact OG1-O 3.11Å; T107-E130 PolarHBondContact O-N 3.45Å |
| 108 | S | 84.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71.9 | 133.6 | 175.9 | 76.7 | 0 | 0 | 0 | 0 | 111 | D54 E130 | D54-S108 WeakPolarHBondContact OD2-CB 3.29Å; D54-S108 PolarHBondContact OD2-OG 3.31Å; S108-E130 WeakPolarHBondContact CA-OE1 3.49Å |
| 109 | G | 87.6 | Confident | 85.6 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 139 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | P129 E130 F141 | G109-P129 VanDerWaalsContact O-CB 3.27Å; G109-P129 WeakPolarHBondContact O-CB 3.45Å; G109-E130 PolarHBondContact N-OE1 2.97Å; G109-F141 VanDerWaalsContact CA-CE2 3.41Å |
| 110 | D | 89 | Confident | 86.2 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -99 | -5.4 | 172.4 | 54.6 | -24.4 | 0 | 0 | 0 | 114 | F141 Y168 | D110-F141 HydrophobicContact CB-CD1 4.38Å; D110-F141 HydrophobicContact CB-CE1 3.5Å; D110-F141 VanDerWaalsContact CB-CE1 3.5Å; D110-F141 HydrophobicContact CB-CZ 3.67Å; D110-Y168 HydrophobicContact CB-CE1 3.62Å |
| 111 | K | 91 | Very high | 86.7 | Confident | 112 Ų | 112 | 43 Ų | 43 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -127.8 | 141.8 | -171.8 | -62.4 | -174.9 | -173.8 | -168 | 0 | 110.6 | Y316 | K111-Y316 PolarHBondContact NZ-OH 2.99Å; K111-Y316 VanDerWaalsContact NZ-OH 3.12Å |
| 112 | F | 92.9 | Very high | 86.8 | Confident | 21 Ų | 21 | 46 Ų | 46 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | trans | -56.8 | 142.1 | 166.1 | -74.4 | -95.2 | 0 | 0 | 0 | 110.9 | I126 G127 V128 P129 L132 L178 I179 E182 | F112-I126 HydrophobicContact CD1-CG2 3.74Å; F112-I126 HydrophobicContact CE1-CG2 4.36Å; F112-G127 VanDerWaalsContact CA-O 3.24Å; F112-G127 WeakPolarHBondContact CA-O 3.37Å; F112-G127 WeakPolarHBondContact CD1-O 3.49Å; F112-V128 HydrophobicContact CE1-CB 4.38Å; F112-V128 HydrophobicContact CE1-CG1 4.24Å; F112-V128 HydrophobicContact CE1-CG2 4.19Å; F112-P129 HydrophobicContact CD2-CG 3.97Å; F112-P129 HydrophobicContact CE2-CG 3.97Å; F112-P129 HydrophobicContact CG-CG 4.38Å; F112-P129 HydrophobicContact CZ-CG 4.43Å; F112-L132 HydrophobicContact CE2-CD1 3.55Å; F112-L132 HydrophobicContact CZ-CD1 3.55Å; F112-L178 HydrophobicContact CE2-CB 3.72Å; F112-L178 HydrophobicContact CE2-CD1 4.21Å; F112-L178 HydrophobicContact CE2-CG 4.43Å; F112-L178 HydrophobicContact CZ-CB 4.29Å; F112-I179 HydrophobicContact CZ-CG1 4.23Å; F112-E182 HydrophobicContact CB-CG 3.49Å; F112-E182 VanDerWaalsContact CB-CG 3.49Å; F112-E182 HydrophobicContact CD1-CG 3.89Å; F112-E182 HydrophobicContact CD2-CG 4.07Å; F112-E182 HydrophobicContact CG-CG 3.55Å | ||
| 113 | R | 91.1 | Very high | 87.1 | Confident | 83 Ų | 83 | 45.1 Ų | 45.1 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.8 | 173.8 | -63.7 | -178 | 179.2 | -91.6 | -6.7 | 108.5 | F115 I126 G127 | R113-F115 HydrophobicContact CB-CE1 4.37Å; R113-F115 HydrophobicContact CB-CE2 3.67Å; R113-F115 HydrophobicContact CB-CZ 3.56Å; R113-F115 HydrophobicContact CG-CZ 4.34Å; R113-I126 CarbonylContact O-C 3.19Å; R113-I126 WeakPolarHBondContact O-CA 3.38Å; R113-G127 PolarHBondContact N-O 3.14Å; R113-G127 PolarHBondContact O-N 3.47Å |
| 114 | R | 90.9 | Very high | 87.3 | Confident | 58 Ų | 58 | 38 Ų | 38 | 22% | 0.219 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134 | 176.4 | -73 | 174 | -82.3 | 149.2 | -6.7 | 108.1 | E182 S185 I186 | R114-E182 VanDerWaalsContact CD-OE2 3.28Å; R114-E182 WeakPolarHBondContact CD-OE2 3.39Å; R114-E182 IonicContact CZ-OE2 2.8Å; R114-E182 IonicContact NE-OE2 3.38Å; R114-E182 PolarHBondContact NE-OE2 2.91Å; R114-E182 IonicContact NH2-OE2 2.69Å; R114-S185 PolarHBondContact NH1-O 3.22Å; R114-S185 PolarHBondContact NH1-OG 3.47Å; R114-S185 PolarHBondContact NH2-OG 3.45Å; R114-S185 VanDerWaalsContact NH2-OG 3.15Å; R114-I186 HydrophobicContact CG-CD1 4.49Å; R114-I186 HydrophobicContact CG-CG1 4.46Å |
| 115 | F | 90.2 | Very high | 87.4 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139 | 177.3 | -48.2 | -76.6 | 0 | 0 | 0 | 108.4 | Y43 L46 A47 Y50 T107 R113 S124 C125 | Y43-F115 HydrophobicContact CD2-CB 4.43Å; L46-F115 HydrophobicContact CB-CD1 4.17Å; L46-F115 HydrophobicContact CB-CE1 4.46Å; A47-F115 HydrophobicContact CB-CD2 4.11Å; A47-F115 HydrophobicContact CB-CE2 4.29Å; Y50-F115 AromaticContact CD2-CE1 3.44Å; Y50-F115 HydrophobicContact CD2-CE1 3.44Å; Y50-F115 VanDerWaalsContact CD2-CE1 3.44Å; Y50-F115 AromaticContact CD2-CZ 3.38Å; Y50-F115 HydrophobicContact CD2-CZ 3.38Å; Y50-F115 AromaticContact CE2-CE1 3.67Å; Y50-F115 HydrophobicContact CE2-CE1 3.67Å; Y50-F115 HydrophobicContact CE2-CZ 4.04Å; Y50-F115 HydrophobicContact CG-CE1 4.41Å; Y50-F115 AromaticContact CG-CZ 3.94Å; Y50-F115 HydrophobicContact CG-CZ 3.94Å; T107-F115 HydrophobicContact CG2-CE2 4.49Å; R113-F115 HydrophobicContact CB-CE1 4.37Å; R113-F115 HydrophobicContact CB-CE2 3.67Å; R113-F115 HydrophobicContact CB-CZ 3.56Å; R113-F115 HydrophobicContact CG-CZ 4.34Å; F115-S124 CarbonylContact O-C 3.42Å; F115-S124 VanDerWaalsContact O-CA 3.26Å; F115-S124 WeakPolarHBondContact O-CA 3.04Å; F115-S124 WeakPolarHBondContact O-CB 3.26Å; F115-C125 HydrophobicContact CB-CB 4.29Å; F115-C125 HydrophobicContact CD2-CB 4.11Å; F115-C125 PolarHBondContact N-O 2.94Å; F115-C125 PolarHBondContact O-N 2.99Å |
| 116 | G | 90.2 | Very high | 87.6 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.3 | -162.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D39 | D39-G116 WeakPolarHBondContact O-CA 3.46Å; D39-G116 PolarHBondContact O-N 3.43Å |
| 117 | S | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135 | 175.1 | 166.5 | 0 | 0 | 0 | 0 | 109.3 | R119 S120 G123 D190 | S117-R119 PolarHBondContact O-N 3.27Å; S117-R119 VanDerWaalsContact O-N 3.12Å; S117-R119 WeakPolarHBondContact OG-CB 3.45Å; S117-R119 PolarHBondContact OG-N 3.04Å; S117-S120 WeakPolarHBondContact O-CB 3.44Å; S117-S120 PolarHBondContact O-N 2.85Å; S117-G123 PolarHBondContact N-O 2.62Å; S117-G123 CarbonylContact O-C 3.52Å; S117-G123 VanDerWaalsContact O-O 3.05Å; S117-D190 WeakPolarHBondContact CB-OD1 3.14Å; S117-D190 WeakPolarHBondContact CB-OD2 3.3Å; S117-D190 PolarHBondContact OG-OD2 3.33Å |
| 118 | P | 85.9 | Confident | 88 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.9 | 175.8 | 26.1 | -35.2 | 0 | 0 | 0 | 112 | N101 Y102 S120 S124 I186 W187 | N101-P118 PolarHBondContact ND2-O 3.24Å; Y102-P118 HydrophobicContact CD1-CB 3.99Å; P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S124 WeakPolarHBondContact CA-OG 3.49Å; P118-S124 WeakPolarHBondContact CD-OG 3.43Å; P118-S124 VanDerWaalsContact N-OG 3.16Å; P118-I186 HydrophobicContact CG-CG1 4.48Å; P118-I186 HydrophobicContact CG-CG2 4.21Å; P118-W187 HydrophobicContact CB-CZ2 4Å; P118-W187 HydrophobicContact CG-CD2 3.95Å; P118-W187 HydrophobicContact CG-CG 4.17Å; P118-W187 HydrophobicContact CG-CZ2 4.16Å |
| 119 | R | 80.8 | Confident | 88.4 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.1 | 174.9 | -56.4 | -178 | -177.6 | 175.5 | 2.2 | 113.2 | S117 W187 C188 | S117-R119 PolarHBondContact O-N 3.27Å; S117-R119 VanDerWaalsContact O-N 3.12Å; S117-R119 WeakPolarHBondContact OG-CB 3.45Å; S117-R119 PolarHBondContact OG-N 3.04Å; R119-W187 HydrophobicContact CG-CE3 4.49Å; R119-W187 HydrophobicContact CG-CZ3 4.28Å; R119-W187 PolarHBondContact NH2-O 3.33Å; R119-C188 PolarHBondContact NH2-O 3.04Å |
| 120 | S | 80.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -77 | 147 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | N101 S117 P118 F122 G123 | N101-S120 PolarHBondContact ND2-O 3.1Å; S117-S120 WeakPolarHBondContact O-CB 3.44Å; S117-S120 PolarHBondContact O-N 2.85Å; P118-S120 VanDerWaalsContact C-N 3.33Å; S120-F122 PolarHBondContact O-N 3.42Å; S120-F122 VanDerWaalsContact O-N 3.15Å; S120-F122 WeakPolarHBondContact OG-CD2 3.39Å; S120-F122 PolarHBondContact OG-N 3.18Å; S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 VanDerWaalsContact O-N 3.08Å |
| 121 | F | 78.8 | Confident | 88.6 | Confident | 181 Ų | 181 | 31.8 Ų | 31.8 | 79% | 0.794 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.3 | 172.5 | -71.8 | -75.3 | 0 | 0 | 0 | 113.4 | L93 | L93-F121 HydrophobicContact CD2-CE1 3.85Å; L93-F121 HydrophobicContact CD2-CZ 4.1Å |
| 122 | F | 84.5 | Confident | 88.6 | Confident | 99 Ų | 99 | 27 Ų | 27 | 43% | 0.434 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -23.6 | 179.3 | -58.1 | -72.7 | 0 | 0 | 0 | 112.4 | V41 Y43 S120 | V41-F122 HydrophobicContact CB-CD2 4.34Å; V41-F122 HydrophobicContact CB-CE2 4.29Å; V41-F122 HydrophobicContact CB-CZ 4.45Å; V41-F122 HydrophobicContact CG1-CD1 4.16Å; V41-F122 HydrophobicContact CG1-CD2 4.48Å; V41-F122 HydrophobicContact CG1-CE1 3.85Å; V41-F122 HydrophobicContact CG1-CE2 4.21Å; V41-F122 HydrophobicContact CG1-CG 4.47Å; V41-F122 HydrophobicContact CG1-CZ 3.88Å; V41-F122 HydrophobicContact CG2-CD2 3.96Å; V41-F122 HydrophobicContact CG2-CE2 3.62Å; V41-F122 HydrophobicContact CG2-CZ 4.03Å; Y43-F122 HydrophobicContact CD1-CB 4.35Å; Y43-F122 HydrophobicContact CE1-CB 4.14Å; Y43-F122 WeakPolarHBondContact CE1-O 3.21Å; Y43-F122 PolarHBondContact OH-O 3.47Å; S120-F122 PolarHBondContact O-N 3.42Å; S120-F122 VanDerWaalsContact O-N 3.15Å; S120-F122 WeakPolarHBondContact OG-CD2 3.39Å; S120-F122 PolarHBondContact OG-N 3.18Å |
| 123 | G | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.1 | -160.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N101 S117 S120 | N101-G123 VanDerWaalsContact CG-CA 3.42Å; N101-G123 VanDerWaalsContact ND2-CA 3.32Å; N101-G123 WeakPolarHBondContact ND2-CA 3.15Å; N101-G123 CarbonylContact O-C 3.56Å; N101-G123 VanDerWaalsContact O-CA 3.28Å; N101-G123 WeakPolarHBondContact O-CA 3.49Å; N101-G123 VanDerWaalsContact OD1-CA 3.28Å; N101-G123 WeakPolarHBondContact OD1-CA 3.44Å; S117-G123 PolarHBondContact N-O 2.62Å; S117-G123 CarbonylContact O-C 3.52Å; S117-G123 VanDerWaalsContact O-O 3.05Å; S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 VanDerWaalsContact O-N 3.08Å |
| 124 | S | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 171.3 | -175.2 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | Y43 N101 Y102 R103 F115 P118 | Y43-S124 WeakPolarHBondContact CE2-O 3.19Å; N101-S124 PolarHBondContact O-N 2.62Å; N101-S124 PolarHBondContact O-OG 3.08Å; Y102-S124 CarbonylContact C-O 3.38Å; Y102-S124 WeakPolarHBondContact CA-O 3.46Å; Y102-S124 WeakPolarHBondContact CB-OG 3.27Å; R103-S124 PolarHBondContact N-O 2.83Å; F115-S124 CarbonylContact O-C 3.42Å; F115-S124 VanDerWaalsContact O-CA 3.26Å; F115-S124 WeakPolarHBondContact O-CA 3.04Å; F115-S124 WeakPolarHBondContact O-CB 3.26Å; P118-S124 WeakPolarHBondContact CA-OG 3.49Å; P118-S124 WeakPolarHBondContact CD-OG 3.43Å; P118-S124 VanDerWaalsContact N-OG 3.16Å |
| 125 | C | 89.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.9 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | Y43 A47 R103 V105 F115 | Y43-C125 HydrophobicContact CD2-CB 3.71Å; Y43-C125 HydrophobicContact CE2-CB 3.84Å; A47-C125 HydrophobicContact CB-CB 4.21Å; R103-C125 CarbonylContact O-C 3.53Å; R103-C125 VanDerWaalsContact O-CA 3.25Å; R103-C125 WeakPolarHBondContact O-CA 3.29Å; V105-C125 WeakPolarHBondContact CG2-SG 3.45Å; F115-C125 HydrophobicContact CB-CB 4.29Å; F115-C125 HydrophobicContact CD2-CB 4.11Å; F115-C125 PolarHBondContact N-O 2.94Å; F115-C125 PolarHBondContact O-N 2.99Å |
| 126 | I | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112.2 | 167.4 | -61 | 177.4 | 0 | 0 | 0 | 107.7 | Y102 R103 F104 V105 F112 R113 V128 E182 L183 I186 | Y102-I126 HydrophobicContact CD2-CD1 4.48Å; R103-I126 PolarHBondContact O-N 3.06Å; F104-I126 WeakPolarHBondContact CA-O 3.48Å; F104-I126 HydrophobicContact CD1-CB 3.78Å; F104-I126 HydrophobicContact CD1-CG2 3.9Å; F104-I126 HydrophobicContact CE1-CB 3.74Å; F104-I126 HydrophobicContact CE1-CD1 3.89Å; F104-I126 HydrophobicContact CE1-CG1 4.38Å; F104-I126 HydrophobicContact CE1-CG2 3.74Å; F104-I126 HydrophobicContact CZ-CB 4.44Å; F104-I126 HydrophobicContact CZ-CD1 3.9Å; V105-I126 PolarHBondContact N-O 2.7Å; F112-I126 HydrophobicContact CD1-CG2 3.74Å; F112-I126 HydrophobicContact CE1-CG2 4.36Å; R113-I126 CarbonylContact O-C 3.19Å; R113-I126 WeakPolarHBondContact O-CA 3.38Å; I126-V128 PolarHBondContact O-N 2.96Å; I126-E182 HydrophobicContact CD1-CB 4.49Å; I126-E182 HydrophobicContact CG2-CB 4.4Å; I126-L183 HydrophobicContact CD1-CD2 4.05Å; I126-I186 HydrophobicContact CD1-CD1 4.33Å; I126-I186 HydrophobicContact CD1-CG2 4.24Å; I126-I186 HydrophobicContact CG1-CD1 3.88Å |
| 127 | G | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 109.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V105 T107 F112 R113 | V105-G127 CarbonylContact O-C 3.57Å; V105-G127 WeakPolarHBondContact O-CA 3.34Å; T107-G127 VanDerWaalsContact CG2-CA 3.48Å; F112-G127 VanDerWaalsContact CA-O 3.24Å; F112-G127 WeakPolarHBondContact CA-O 3.37Å; F112-G127 WeakPolarHBondContact CD1-O 3.49Å; R113-G127 PolarHBondContact N-O 3.14Å; R113-G127 PolarHBondContact O-N 3.47Å |
| 128 | V | 92.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.1 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | I61 L65 I69 F104 V105 S106 T107 F112 I126 | I61-V128 HydrophobicContact CD1-CB 4.22Å; I61-V128 HydrophobicContact CD1-CG2 3.91Å; L65-V128 HydrophobicContact CD2-CG1 4.05Å; I69-V128 HydrophobicContact CD1-CG2 3.94Å; F104-V128 HydrophobicContact CB-CG2 4.07Å; F104-V128 HydrophobicContact CD1-CG2 3.67Å; F104-V128 HydrophobicContact CG-CG2 4.35Å; V105-V128 PolarHBondContact O-N 3.48Å; S106-V128 CarbonylContact C-O 3.55Å; T107-V128 PolarHBondContact N-O 2.97Å; T107-V128 PolarHBondContact OG1-O 3.17Å; T107-V128 VanDerWaalsContact OG1-O 3.11Å; F112-V128 HydrophobicContact CE1-CB 4.38Å; F112-V128 HydrophobicContact CE1-CG1 4.24Å; F112-V128 HydrophobicContact CE1-CG2 4.19Å; I126-V128 PolarHBondContact O-N 2.96Å |
| 129 | P | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.2 | -178.8 | 28.9 | -32.8 | 0 | 0 | 0 | 111.1 | G109 F112 V131 L132 | G109-P129 VanDerWaalsContact O-CB 3.27Å; G109-P129 WeakPolarHBondContact O-CB 3.45Å; F112-P129 HydrophobicContact CD2-CG 3.97Å; F112-P129 HydrophobicContact CE2-CG 3.97Å; F112-P129 HydrophobicContact CG-CG 4.38Å; F112-P129 HydrophobicContact CZ-CG 4.43Å; P129-V131 HydrophobicContact CB-CG2 4.08Å; P129-V131 HydrophobicContact CG-CG2 4.4Å; P129-V131 PolarHBondContact O-N 3.15Å; P129-L132 HydrophobicContact CG-CD1 3.78Å; P129-L132 HydrophobicContact CG-CG 3.99Å; P129-L132 PolarHBondContact O-N 2.87Å |
| 130 | E | 89.7 | Confident | 87.9 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -55.7 | -27.4 | -177.9 | 71.4 | -166.8 | 151.1 | 0 | 0 | 113.7 | T107 S108 G109 L132 C133 A137 F141 | T107-E130 PolarHBondContact O-N 3.45Å; S108-E130 WeakPolarHBondContact CA-OE1 3.49Å; G109-E130 PolarHBondContact N-OE1 2.97Å; E130-L132 PolarHBondContact O-N 3.37Å; E130-L132 VanDerWaalsContact O-N 3.1Å; E130-C133 WeakPolarHBondContact O-CB 3.43Å; E130-C133 PolarHBondContact O-N 3.39Å; E130-A137 HydrophobicContact CB-CB 4.32Å; E130-A137 HydrophobicContact CG-CB 4.41Å; E130-A137 VanDerWaalsContact O-CB 3.26Å; E130-A137 WeakPolarHBondContact O-CB 3.43Å; E130-F141 WeakPolarHBondContact OE1-CD2 3.41Å |
| 131 | V | 91 | Very high | 88.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.4 | -15.7 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | P129 R138 F141 Y168 | P129-V131 HydrophobicContact CB-CG2 4.08Å; P129-V131 HydrophobicContact CG-CG2 4.4Å; P129-V131 PolarHBondContact O-N 3.15Å; V131-R138 HydrophobicContact CB-CG 4.11Å; V131-R138 VanDerWaalsContact O-CD 3.23Å; V131-R138 WeakPolarHBondContact O-CD 3.49Å; V131-R138 WeakPolarHBondContact O-CG 3.48Å; V131-F141 HydrophobicContact CG1-CB 3.56Å; V131-F141 HydrophobicContact CG1-CD1 3.5Å; V131-F141 VanDerWaalsContact CG1-CD1 3.5Å; V131-F141 HydrophobicContact CG1-CD2 4.28Å; V131-F141 HydrophobicContact CG1-CE1 4.3Å; V131-F141 HydrophobicContact CG1-CG 3.48Å; V131-F141 VanDerWaalsContact CG1-CG 3.48Å; V131-Y168 HydrophobicContact CB-CD1 4.05Å; V131-Y168 HydrophobicContact CB-CG 4.32Å; V131-Y168 HydrophobicContact CG1-CD1 4.19Å; V131-Y168 HydrophobicContact CG1-CE1 4.41Å; V131-Y168 HydrophobicContact CG1-CG 4.45Å; V131-Y168 HydrophobicContact CG2-CD1 3.96Å; V131-Y168 HydrophobicContact CG2-CE1 4.48Å |
| 132 | L | 90.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -90.9 | -14.3 | 174.1 | -60.3 | 179.9 | 0 | 0 | 0 | 113 | L65 F112 P129 E130 L170 L178 | L65-L132 HydrophobicContact CD2-CB 4Å; F112-L132 HydrophobicContact CE2-CD1 3.55Å; F112-L132 HydrophobicContact CZ-CD1 3.55Å; P129-L132 HydrophobicContact CG-CD1 3.78Å; P129-L132 HydrophobicContact CG-CG 3.99Å; P129-L132 PolarHBondContact O-N 2.87Å; E130-L132 PolarHBondContact O-N 3.37Å; E130-L132 VanDerWaalsContact O-N 3.1Å; L132-L170 HydrophobicContact CD2-CD1 3.77Å; L132-L170 HydrophobicContact CD2-CG 4.47Å; L132-L178 HydrophobicContact CD1-CD1 4.42Å |
| 133 | C | 85 | Confident | 88.8 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -46 | -171.1 | -62 | 0 | 0 | 0 | 0 | 112.4 | V59 P62 E130 | V59-C133 HydrophobicContact CG1-CB 3.93Å; P62-C133 HydrophobicContact CG-CB 4.02Å; P62-C133 WeakPolarHBondContact CG-O 3.3Å; E130-C133 WeakPolarHBondContact O-CB 3.43Å; E130-C133 PolarHBondContact O-N 3.39Å |
| 134 | S | 85.8 | Confident | 88.8 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | trans | -151.3 | 157 | -179.8 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | E136 A137 R138 | S134-E136 VanDerWaalsContact C-N 3.31Å; S134-E136 PolarHBondContact O-N 3.23Å; S134-A137 PolarHBondContact O-N 3.23Å; S134-A137 WeakPolarHBondContact OG-CB 3.47Å; S134-A137 PolarHBondContact OG-N 2.87Å; S134-A137 VanDerWaalsContact OG-N 3.1Å; S134-R138 WeakPolarHBondContact O-CG 3.37Å; S134-R138 PolarHBondContact O-N 3.19Å | ||
| 135 | E | 87.4 | Confident | 88.7 | Confident | 127 Ų | 127 | 37.4 Ų | 37.4 | 59% | 0.593 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -58.8 | -44.1 | 174.2 | -171.7 | 172.5 | -171.2 | 0 | 0 | 111.6 | A137 R138 E139 | E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 3.31Å; E135-R138 WeakPolarHBondContact O-CA 3.21Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3Å; E135-E139 PolarHBondContact O-N 3.49Å |
| 136 | E | 86.7 | Confident | 88.5 | Confident | 138 Ų | 138 | 37.2 Ų | 37.2 | 65% | 0.645 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -59.1 | -39.4 | 175.2 | -61.2 | 177.6 | 178.8 | 0 | 0 | 112.4 | S134 R140 | S134-E136 VanDerWaalsContact C-N 3.31Å; S134-E136 PolarHBondContact O-N 3.23Å; E136-R140 WeakPolarHBondContact O-CB 3.35Å; E136-R140 VanDerWaalsContact O-CG 3.24Å; E136-R140 WeakPolarHBondContact O-CG 3.33Å; E136-R140 PolarHBondContact O-N 3.08Å; E136-R140 PolarHBondContact O-NE 3.42Å |
| 137 | A | 86 | Confident | 88.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E130 S134 E135 F141 | E130-A137 HydrophobicContact CB-CB 4.32Å; E130-A137 HydrophobicContact CG-CB 4.41Å; E130-A137 VanDerWaalsContact O-CB 3.26Å; E130-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 3.23Å; S134-A137 WeakPolarHBondContact OG-CB 3.47Å; S134-A137 PolarHBondContact OG-N 2.87Å; S134-A137 VanDerWaalsContact OG-N 3.1Å; E135-A137 VanDerWaalsContact C-N 3.29Å; E135-A137 PolarHBondContact O-N 3.31Å; A137-F141 VanDerWaalsContact O-CB 3.23Å; A137-F141 WeakPolarHBondContact O-CB 3.13Å; A137-F141 PolarHBondContact O-N 3.23Å |
| 138 | R | 89.7 | Confident | 87.9 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 174.1 | -69.7 | -173.6 | -62.1 | -149.5 | 12.8 | 111.9 | V131 S134 E135 F141 A142 Y168 D169 | V131-R138 HydrophobicContact CB-CG 4.11Å; V131-R138 VanDerWaalsContact O-CD 3.23Å; V131-R138 WeakPolarHBondContact O-CD 3.49Å; V131-R138 WeakPolarHBondContact O-CG 3.48Å; S134-R138 WeakPolarHBondContact O-CG 3.37Å; S134-R138 PolarHBondContact O-N 3.19Å; E135-R138 WeakPolarHBondContact O-CA 3.21Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3Å; R138-F141 PolarHBondContact O-N 3.29Å; R138-A142 VanDerWaalsContact O-CB 3.22Å; R138-A142 WeakPolarHBondContact O-CB 3.18Å; R138-A142 PolarHBondContact O-N 3.27Å; R138-Y168 WeakPolarHBondContact CD-O 3.4Å; R138-D169 IonicContact CZ-OD1 2.71Å; R138-D169 VanDerWaalsContact CZ-OD1 3.27Å; R138-D169 IonicContact NH1-OD1 2.68Å; R138-D169 PolarHBondContact NH1-OD1 3.45Å; R138-D169 IonicContact NH2-OD1 3.26Å; R138-D169 PolarHBondContact NH2-OD1 3.3Å |
| 139 | E | 87.8 | Confident | 87.4 | Confident | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -46.3 | -179.9 | -69.5 | -168.9 | 157.9 | 0 | 0 | 111.6 | E135 F141 A142 N143 M161 | E135-E139 PolarHBondContact O-N 3.49Å; E139-F141 VanDerWaalsContact C-N 3.34Å; E139-F141 PolarHBondContact O-N 2.83Å; E139-A142 PolarHBondContact O-N 2.97Å; E139-N143 WeakPolarHBondContact O-CB 3.46Å; E139-N143 PolarHBondContact O-N 3.47Å; E139-N143 PolarHBondContact O-ND2 2.99Å; E139-N143 VanDerWaalsContact O-ND2 3.14Å; E139-M161 VanDerWaalsContact O-CE 3.28Å; E139-M161 WeakPolarHBondContact O-CE 3.24Å |
| 140 | R | 86.5 | Confident | 86.8 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.2 | -74.8 | -174.7 | -60.2 | -175.7 | 5.1 | 111.6 | E136 N143 K144 | E136-R140 WeakPolarHBondContact O-CB 3.35Å; E136-R140 VanDerWaalsContact O-CG 3.24Å; E136-R140 WeakPolarHBondContact O-CG 3.33Å; E136-R140 PolarHBondContact O-N 3.08Å; E136-R140 PolarHBondContact O-NE 3.42Å; R140-N143 PolarHBondContact O-N 3.34Å; R140-K144 WeakPolarHBondContact O-CB 3.23Å; R140-K144 PolarHBondContact O-N 3.15Å |
| 141 | F | 88.3 | Confident | 86 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 10% | 0.101 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 178.5 | -176.2 | -93 | 0 | 0 | 0 | 111.8 | G109 D110 E130 V131 A137 R138 E139 N143 K144 W145 Y168 | G109-F141 VanDerWaalsContact CA-CE2 3.41Å; D110-F141 HydrophobicContact CB-CD1 4.38Å; D110-F141 HydrophobicContact CB-CE1 3.5Å; D110-F141 VanDerWaalsContact CB-CE1 3.5Å; D110-F141 HydrophobicContact CB-CZ 3.67Å; E130-F141 WeakPolarHBondContact OE1-CD2 3.41Å; V131-F141 HydrophobicContact CG1-CB 3.56Å; V131-F141 HydrophobicContact CG1-CD1 3.5Å; V131-F141 VanDerWaalsContact CG1-CD1 3.5Å; V131-F141 HydrophobicContact CG1-CD2 4.28Å; V131-F141 HydrophobicContact CG1-CE1 4.3Å; V131-F141 HydrophobicContact CG1-CG 3.48Å; V131-F141 VanDerWaalsContact CG1-CG 3.48Å; A137-F141 VanDerWaalsContact O-CB 3.23Å; A137-F141 WeakPolarHBondContact O-CB 3.13Å; A137-F141 PolarHBondContact O-N 3.23Å; R138-F141 PolarHBondContact O-N 3.29Å; E139-F141 VanDerWaalsContact C-N 3.34Å; E139-F141 PolarHBondContact O-N 2.83Å; F141-N143 VanDerWaalsContact C-N 3.33Å; F141-N143 PolarHBondContact O-N 2.82Å; F141-K144 PolarHBondContact O-N 3.03Å; F141-W145 HydrophobicContact CD1-CB 4.19Å; F141-W145 HydrophobicContact CE1-CB 3.82Å; F141-W145 AromaticContact CE1-CD1 3.53Å; F141-W145 AromaticContact CE1-CG 3.91Å; F141-W145 HydrophobicContact CE1-CG 3.91Å; F141-W145 HydrophobicContact CZ-CB 4.24Å; F141-W145 AromaticContact CZ-CD1 3.66Å; F141-W145 HydrophobicContact CZ-CG 4.31Å; F141-W145 WeakPolarHBondContact O-CB 3.4Å; F141-W145 PolarHBondContact O-N 3.01Å; F141-Y168 HydrophobicContact CD1-CE1 4.38Å; F141-Y168 HydrophobicContact CD1-CE2 4.17Å; F141-Y168 AromaticContact CD1-CZ 3.88Å; F141-Y168 HydrophobicContact CE1-CE1 4.3Å; F141-Y168 AromaticContact CE1-CZ 3.84Å; F141-Y168 WeakPolarHBondContact CE1-OH 3.24Å |
| 142 | A | 88.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R138 E139 K144 W145 L146 M161 V164 Y168 | R138-A142 VanDerWaalsContact O-CB 3.22Å; R138-A142 WeakPolarHBondContact O-CB 3.18Å; R138-A142 PolarHBondContact O-N 3.27Å; E139-A142 PolarHBondContact O-N 2.97Å; A142-K144 PolarHBondContact O-N 3.37Å; A142-W145 PolarHBondContact O-N 2.84Å; A142-L146 VanDerWaalsContact O-CB 3.3Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 WeakPolarHBondContact O-CG 3.27Å; A142-L146 PolarHBondContact O-N 3.2Å; A142-M161 HydrophobicContact CB-CE 3.57Å; A142-M161 HydrophobicContact CB-SD 4.07Å; A142-V164 HydrophobicContact CB-CG1 3.85Å; A142-Y168 HydrophobicContact CB-CD2 4.5Å; A142-Y168 HydrophobicContact CB-CE2 4.3Å |
| 143 | N | 87 | Confident | 84.2 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 175.4 | -82.8 | -42.4 | 0 | 0 | 0 | 111.3 | E139 R140 F141 W145 L146 A147 M161 | E139-N143 WeakPolarHBondContact O-CB 3.46Å; E139-N143 PolarHBondContact O-N 3.47Å; E139-N143 PolarHBondContact O-ND2 2.99Å; E139-N143 VanDerWaalsContact O-ND2 3.14Å; R140-N143 PolarHBondContact O-N 3.34Å; F141-N143 VanDerWaalsContact C-N 3.33Å; F141-N143 PolarHBondContact O-N 2.82Å; N143-W145 PolarHBondContact O-N 3.02Å; N143-L146 PolarHBondContact O-N 3.01Å; N143-A147 VanDerWaalsContact O-CB 3.29Å; N143-A147 WeakPolarHBondContact O-CB 3.22Å; N143-A147 PolarHBondContact O-N 2.89Å; N143-M161 HydrophobicContact CB-CE 4.11Å; N143-M161 WeakPolarHBondContact ND2-CE 3.29Å; N143-M161 WeakPolarHBondContact OD1-CE 3.12Å; N143-M161 PolarHBondContact OD1-SD 2.86Å |
| 144 | K | 87.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 69 Ų | 69 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | -180 | -172.6 | 175.8 | -175.8 | 175.6 | 0 | 112.5 | D54 R140 F141 A142 K148 | D54-K144 IonicContact OD1-NZ 2.96Å; D54-K144 PolarHBondContact OD1-NZ 3.06Å; D54-K144 IonicContact OD2-NZ 3.2Å; D54-K144 PolarHBondContact OD2-NZ 2.87Å; R140-K144 WeakPolarHBondContact O-CB 3.23Å; R140-K144 PolarHBondContact O-N 3.15Å; F141-K144 PolarHBondContact O-N 3.03Å; A142-K144 PolarHBondContact O-N 3.37Å; K144-K148 WeakPolarHBondContact O-CG 3.18Å; K144-K148 PolarHBondContact O-N 3Å; K144-K148 VanDerWaalsContact O-N 3.15Å |
| 145 | W | 87.7 | Confident | 82.9 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | -179.6 | -176.6 | 103.4 | 0 | 0 | 0 | 111.6 | F141 A142 N143 V164 R282 V286 F298 | F141-W145 HydrophobicContact CD1-CB 4.19Å; F141-W145 HydrophobicContact CE1-CB 3.82Å; F141-W145 AromaticContact CE1-CD1 3.53Å; F141-W145 AromaticContact CE1-CG 3.91Å; F141-W145 HydrophobicContact CE1-CG 3.91Å; F141-W145 HydrophobicContact CZ-CB 4.24Å; F141-W145 AromaticContact CZ-CD1 3.66Å; F141-W145 HydrophobicContact CZ-CG 4.31Å; F141-W145 WeakPolarHBondContact O-CB 3.4Å; F141-W145 PolarHBondContact O-N 3.01Å; A142-W145 PolarHBondContact O-N 2.84Å; N143-W145 PolarHBondContact O-N 3.02Å; W145-V164 HydrophobicContact CE3-CG1 4.43Å; W145-R282 HydrophobicContact CH2-CG 4.42Å; W145-V286 HydrophobicContact CH2-CB 4.4Å; W145-V286 HydrophobicContact CH2-CG1 4.28Å; W145-V286 HydrophobicContact CH2-CG2 3.8Å; W145-V286 HydrophobicContact CZ3-CB 4.43Å; W145-V286 HydrophobicContact CZ3-CG1 4.23Å; W145-V286 HydrophobicContact CZ3-CG2 3.52Å; W145-F298 HydrophobicContact CH2-CZ 4.35Å; W145-F298 HydrophobicContact CZ2-CZ 4.47Å |
| 146 | L | 86.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.9 | -46.6 | 173.1 | -77.4 | 175.1 | 0 | 0 | 0 | 111.6 | A142 N143 K148 R149 L150 L156 L160 M161 V164 V286 | A142-L146 VanDerWaalsContact O-CB 3.3Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 WeakPolarHBondContact O-CG 3.27Å; A142-L146 PolarHBondContact O-N 3.2Å; N143-L146 PolarHBondContact O-N 3.01Å; L146-K148 PolarHBondContact O-N 3.43Å; L146-R149 CarbonylContact O-C 3.52Å; L146-R149 WeakPolarHBondContact O-CA 3.09Å; L146-R149 PolarHBondContact O-N 3.37Å; L146-L150 HydrophobicContact CB-CD1 3.98Å; L146-L150 HydrophobicContact CD2-CD1 4.31Å; L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.14Å; L146-L156 HydrophobicContact CB-CD1 3.75Å; L146-L156 HydrophobicContact CD1-CD1 3.57Å; L146-L156 HydrophobicContact CG-CD1 4.24Å; L146-L160 HydrophobicContact CD1-CG 4.44Å; L146-L160 HydrophobicContact CD2-CD2 3.94Å; L146-L160 HydrophobicContact CD2-CG 4.31Å; L146-M161 HydrophobicContact CD1-SD 3.7Å; L146-V164 HydrophobicContact CD1-CB 4.22Å; L146-V164 HydrophobicContact CD1-CG1 4.33Å; L146-V164 HydrophobicContact CD1-CG2 4.15Å; L146-V164 HydrophobicContact CD2-CG2 4.14Å; L146-V164 HydrophobicContact CG-CG1 4.39Å; L146-V164 HydrophobicContact CG-CG2 4.43Å; L146-V286 HydrophobicContact CD2-CG2 4.08Å |
| 147 | A | 84.4 | Confident | 82.1 | Confident | 69 Ų | 69 | 63 Ų | 63 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.7 | -33 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N143 R149 | N143-A147 VanDerWaalsContact O-CB 3.29Å; N143-A147 WeakPolarHBondContact O-CB 3.22Å; N143-A147 PolarHBondContact O-N 2.89Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.94Å |
| 148 | K | 84.7 | Confident | 82 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 67% | 0.674 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18 | 174 | -76.1 | 178.4 | -178.9 | 177.5 | 0 | 114.2 | K144 L146 | K144-K148 WeakPolarHBondContact O-CG 3.18Å; K144-K148 PolarHBondContact O-N 3Å; K144-K148 VanDerWaalsContact O-N 3.15Å; L146-K148 PolarHBondContact O-N 3.43Å |
| 149 | R | 82.2 | Confident | 82 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 25% | 0.253 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -27.1 | -175.7 | -79.2 | -176.4 | 172.7 | 75.3 | -8.6 | 113.6 | L146 A147 L290 K297 | L146-R149 CarbonylContact O-C 3.52Å; L146-R149 WeakPolarHBondContact O-CA 3.09Å; L146-R149 PolarHBondContact O-N 3.37Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.94Å; R149-L290 HydrophobicContact CB-CD1 4.42Å; R149-K297 PolarHBondContact O-NZ 3.35Å |
| 150 | L | 79.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | trans | -89.9 | 119 | 176 | -64.1 | 165.9 | 0 | 0 | 0 | 108.4 | L146 N152 T155 L156 V289 L290 | L146-L150 HydrophobicContact CB-CD1 3.98Å; L146-L150 HydrophobicContact CD2-CD1 4.31Å; L146-L150 WeakPolarHBondContact O-CB 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.14Å; L150-N152 PolarHBondContact O-N 2.81Å; L150-T155 WeakPolarHBondContact CD2-OG1 3.35Å; L150-L156 HydrophobicContact CD1-CB 4.23Å; L150-L156 HydrophobicContact CD1-CD1 3.61Å; L150-V289 HydrophobicContact CD2-CG1 4.27Å; L150-L290 HydrophobicContact CD2-CD2 3.3Å; L150-L290 HydrophobicContact CD2-CG 3.9Å; L150-L290 HydrophobicContact CG-CD2 4.3Å | ||
| 151 | D | 74.9 | Confident | 81.9 | Confident | 121 Ų | 121 | 62.4 Ų | 62.4 | 65% | 0.647 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -69.8 | -18.4 | 175.8 | -74.1 | 1 | 0 | 0 | 0 | 112 | Q293 | D151-Q293 VanDerWaalsContact OD2-CD 3.31Å; D151-Q293 PolarHBondContact OD2-NE2 3.02Å; D151-Q293 PolarHBondContact OD2-OE1 2.8Å |
| 152 | N | 73.3 | Confident | 82 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -135.2 | 119.3 | -179 | -155.9 | -13.1 | 0 | 0 | 0 | 111.3 | L150 S154 T155 | L150-N152 PolarHBondContact O-N 2.81Å; N152-S154 VanDerWaalsContact CG-OG 3.3Å; N152-S154 PolarHBondContact ND2-OG 3.25Å; N152-S154 PolarHBondContact O-N 3.45Å; N152-S154 VanDerWaalsContact O-N 3.09Å; N152-S154 PolarHBondContact OD1-OG 3Å; N152-T155 PolarHBondContact O-N 2.8Å; N152-T155 PolarHBondContact O-OG1 2.83Å |
| 153 | P | 69.8 | Low | 82.1 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 71% | 0.714 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -57.1 | -26.1 | -178.8 | -24.8 | 32.8 | 0 | 0 | 0 | 114.2 | T155 L156 | P153-T155 PolarHBondContact O-N 3.31Å; P153-L156 WeakPolarHBondContact O-CB 3.28Å; P153-L156 PolarHBondContact O-N 3.33Å |
| 154 | S | 70.5 | Confident | 82.2 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.1 | -14.9 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | N152 L156 | N152-S154 VanDerWaalsContact CG-OG 3.3Å; N152-S154 PolarHBondContact ND2-OG 3.25Å; N152-S154 PolarHBondContact O-N 3.45Å; N152-S154 VanDerWaalsContact O-N 3.09Å; N152-S154 PolarHBondContact OD1-OG 3Å; S154-L156 VanDerWaalsContact C-N 3.28Å |
| 155 | T | 73 | Confident | 82.4 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -82.2 | -6.1 | 173.5 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | L150 N152 P153 S157 | L150-T155 WeakPolarHBondContact CD2-OG1 3.35Å; N152-T155 PolarHBondContact O-N 2.8Å; N152-T155 PolarHBondContact O-OG1 2.83Å; P153-T155 PolarHBondContact O-N 3.31Å; T155-S157 PolarHBondContact O-N 2.62Å |
| 156 | L | 76.2 | Confident | 82.5 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | trans | -73.1 | 88.6 | 175 | -164.5 | 85.4 | 0 | 0 | 0 | 109.3 | L146 L150 P153 S154 | L146-L156 HydrophobicContact CB-CD1 3.75Å; L146-L156 HydrophobicContact CD1-CD1 3.57Å; L146-L156 HydrophobicContact CG-CD1 4.24Å; L150-L156 HydrophobicContact CD1-CB 4.23Å; L150-L156 HydrophobicContact CD1-CD1 3.61Å; P153-L156 WeakPolarHBondContact O-CB 3.28Å; P153-L156 PolarHBondContact O-N 3.33Å; S154-L156 VanDerWaalsContact C-N 3.28Å | ||
| 157 | S | 81.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -74.4 | 145.2 | 168.9 | 68.2 | 0 | 0 | 0 | 0 | 110 | T155 D159 L160 M161 | T155-S157 PolarHBondContact O-N 2.62Å; S157-D159 PolarHBondContact O-N 3.38Å; S157-L160 PolarHBondContact O-N 2.98Å; S157-L160 VanDerWaalsContact O-N 3.16Å; S157-L160 WeakPolarHBondContact OG-CB 3.14Å; S157-L160 PolarHBondContact OG-N 3.15Å; S157-L160 VanDerWaalsContact OG-N 3.14Å; S157-M161 PolarHBondContact O-N 3.33Å; S157-M161 VanDerWaalsContact O-N 3.08Å | ||
| 158 | T | 84 | Confident | 83.3 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 73% | 0.73 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.9 | -38.9 | 173.6 | -45 | 0 | 0 | 0 | 0 | 110.9 | L160 M161 T162 | T158-L160 PolarHBondContact O-N 2.78Å; T158-M161 PolarHBondContact O-N 3.5Å; T158-T162 PolarHBondContact O-N 3.02Å; T158-T162 PolarHBondContact O-OG1 2.71Å |
| 159 | D | 87.8 | Confident | 83.7 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 176.4 | -179.5 | 57.9 | 0 | 0 | 0 | 113 | S157 M161 T162 K163 | S157-D159 PolarHBondContact O-N 3.38Å; D159-M161 VanDerWaalsContact C-N 3.34Å; D159-M161 PolarHBondContact O-N 3.4Å; D159-T162 PolarHBondContact O-N 3.35Å; D159-K163 WeakPolarHBondContact O-CB 3.07Å; D159-K163 WeakPolarHBondContact O-CG 3.48Å; D159-K163 PolarHBondContact O-N 3.45Å; D159-K163 IonicContact OD1-NZ 3.69Å; D159-K163 WeakPolarHBondContact OD2-CE 3.09Å; D159-K163 IonicContact OD2-NZ 2.76Å; D159-K163 PolarHBondContact OD2-NZ 3.29Å |
| 160 | L | 87.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.2 | 178.6 | 64.4 | 0 | 0 | 0 | 110.9 | L146 S157 T158 T162 K163 V164 A285 V286 V289 | L146-L160 HydrophobicContact CD1-CG 4.44Å; L146-L160 HydrophobicContact CD2-CD2 3.94Å; L146-L160 HydrophobicContact CD2-CG 4.31Å; S157-L160 PolarHBondContact O-N 2.98Å; S157-L160 VanDerWaalsContact O-N 3.16Å; S157-L160 WeakPolarHBondContact OG-CB 3.14Å; S157-L160 PolarHBondContact OG-N 3.15Å; S157-L160 VanDerWaalsContact OG-N 3.14Å; T158-L160 PolarHBondContact O-N 2.78Å; L160-T162 VanDerWaalsContact C-N 3.34Å; L160-K163 PolarHBondContact O-N 3.07Å; L160-V164 HydrophobicContact CD1-CG2 3.97Å; L160-V164 HydrophobicContact CG-CG2 4.27Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.84Å; L160-A285 HydrophobicContact CD1-CB 4.04Å; L160-V286 HydrophobicContact CD1-CG2 4.11Å; L160-V289 HydrophobicContact CB-CG2 4.23Å; L160-V289 HydrophobicContact CD1-CG2 3.91Å; L160-V289 HydrophobicContact CD2-CB 3.88Å; L160-V289 HydrophobicContact CD2-CG1 3.72Å; L160-V289 HydrophobicContact CD2-CG2 3.78Å; L160-V289 HydrophobicContact CG-CG2 4.16Å |
| 161 | M | 86.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 61 Ų | 61 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.3 | -174.1 | 58.5 | -166.5 | 0 | 0 | 111 | E139 A142 N143 L146 S157 T158 D159 V164 G165 | E139-M161 VanDerWaalsContact O-CE 3.28Å; E139-M161 WeakPolarHBondContact O-CE 3.24Å; A142-M161 HydrophobicContact CB-CE 3.57Å; A142-M161 HydrophobicContact CB-SD 4.07Å; N143-M161 HydrophobicContact CB-CE 4.11Å; N143-M161 WeakPolarHBondContact ND2-CE 3.29Å; N143-M161 WeakPolarHBondContact OD1-CE 3.12Å; N143-M161 PolarHBondContact OD1-SD 2.86Å; L146-M161 HydrophobicContact CD1-SD 3.7Å; S157-M161 PolarHBondContact O-N 3.33Å; S157-M161 VanDerWaalsContact O-N 3.08Å; T158-M161 PolarHBondContact O-N 3.5Å; D159-M161 VanDerWaalsContact C-N 3.34Å; D159-M161 PolarHBondContact O-N 3.4Å; M161-V164 PolarHBondContact O-N 3.4Å; M161-G165 PolarHBondContact O-N 3.46Å |
| 162 | T | 88.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | T158 D159 L160 V164 G165 N166 | T158-T162 PolarHBondContact O-N 3.02Å; T158-T162 PolarHBondContact O-OG1 2.71Å; D159-T162 PolarHBondContact O-N 3.35Å; L160-T162 VanDerWaalsContact C-N 3.34Å; T162-V164 VanDerWaalsContact C-N 3.33Å; T162-V164 PolarHBondContact O-N 3.35Å; T162-G165 PolarHBondContact O-N 2.53Å; T162-N166 VanDerWaalsContact O-CB 3.29Å; T162-N166 WeakPolarHBondContact O-CB 3.42Å; T162-N166 PolarHBondContact O-N 3.45Å; T162-N166 PolarHBondContact O-ND2 3.09Å; T162-N166 PolarHBondContact O-OD1 3.36Å |
| 163 | K | 90 | Very high | 87.3 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.2 | -78 | 173.9 | 177.9 | 159.7 | 0 | 112.2 | D159 L160 S167 A285 | D159-K163 WeakPolarHBondContact O-CB 3.07Å; D159-K163 WeakPolarHBondContact O-CG 3.48Å; D159-K163 PolarHBondContact O-N 3.45Å; D159-K163 IonicContact OD1-NZ 3.69Å; D159-K163 WeakPolarHBondContact OD2-CE 3.09Å; D159-K163 IonicContact OD2-NZ 2.76Å; D159-K163 PolarHBondContact OD2-NZ 3.29Å; L160-K163 PolarHBondContact O-N 3.07Å; K163-S167 PolarHBondContact O-N 3.38Å; K163-A285 HydrophobicContact CD-CB 4.4Å |
| 164 | V | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 179 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | A142 W145 L146 L160 M161 T162 S167 Y168 R282 V286 | A142-V164 HydrophobicContact CB-CG1 3.85Å; W145-V164 HydrophobicContact CE3-CG1 4.43Å; L146-V164 HydrophobicContact CD1-CB 4.22Å; L146-V164 HydrophobicContact CD1-CG1 4.33Å; L146-V164 HydrophobicContact CD1-CG2 4.15Å; L146-V164 HydrophobicContact CD2-CG2 4.14Å; L146-V164 HydrophobicContact CG-CG1 4.39Å; L146-V164 HydrophobicContact CG-CG2 4.43Å; L160-V164 HydrophobicContact CD1-CG2 3.97Å; L160-V164 HydrophobicContact CG-CG2 4.27Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 2.84Å; M161-V164 PolarHBondContact O-N 3.4Å; T162-V164 VanDerWaalsContact C-N 3.33Å; T162-V164 PolarHBondContact O-N 3.35Å; V164-S167 PolarHBondContact O-N 2.99Å; V164-S167 PolarHBondContact O-OG 3.15Å; V164-Y168 HydrophobicContact CG1-CE2 3.83Å; V164-Y168 WeakPolarHBondContact O-CD2 3.04Å; V164-R282 HydrophobicContact CB-CG 4.37Å; V164-R282 HydrophobicContact CG1-CG 4.17Å; V164-R282 HydrophobicContact CG2-CG 3.96Å; V164-V286 HydrophobicContact CG2-CG2 3.99Å |
| 165 | G | 89.9 | Confident | 89.9 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M161 T162 S167 Y168 D169 | M161-G165 PolarHBondContact O-N 3.46Å; T162-G165 PolarHBondContact O-N 2.53Å; G165-S167 PolarHBondContact O-N 3.16Å; G165-Y168 PolarHBondContact O-N 3.26Å; G165-D169 PolarHBondContact O-N 3.09Å |
| 166 | N | 91 | Very high | 91 | Very high | 96 Ų | 96 | 50 Ų | 50 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -29.1 | 179.6 | -67.5 | -3.9 | 0 | 0 | 0 | 112.8 | T162 Y168 D169 | T162-N166 VanDerWaalsContact O-CB 3.29Å; T162-N166 WeakPolarHBondContact O-CB 3.42Å; T162-N166 PolarHBondContact O-N 3.45Å; T162-N166 PolarHBondContact O-ND2 3.09Å; T162-N166 PolarHBondContact O-OD1 3.36Å; N166-Y168 PolarHBondContact O-N 2.97Å; N166-D169 WeakPolarHBondContact O-CB 3.16Å; N166-D169 PolarHBondContact O-N 2.89Å; N166-D169 VanDerWaalsContact O-N 3.08Å |
| 167 | S | 93.3 | Very high | 92 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -21.1 | 175.2 | 76.6 | 0 | 0 | 0 | 0 | 113.8 | K163 V164 G165 R282 | K163-S167 PolarHBondContact O-N 3.38Å; V164-S167 PolarHBondContact O-N 2.99Å; V164-S167 PolarHBondContact O-OG 3.15Å; G165-S167 PolarHBondContact O-N 3.16Å; S167-R282 VanDerWaalsContact OG-CD 3.31Å; S167-R282 WeakPolarHBondContact OG-CD 3.39Å |
| 168 | Y | 93.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -10.1 | 173.1 | -65 | -68.4 | 0 | 0 | 0 | 112.7 | D110 V131 R138 F141 A142 V164 G165 N166 L170 R282 | D110-Y168 HydrophobicContact CB-CE1 3.62Å; V131-Y168 HydrophobicContact CB-CD1 4.05Å; V131-Y168 HydrophobicContact CB-CG 4.32Å; V131-Y168 HydrophobicContact CG1-CD1 4.19Å; V131-Y168 HydrophobicContact CG1-CE1 4.41Å; V131-Y168 HydrophobicContact CG1-CG 4.45Å; V131-Y168 HydrophobicContact CG2-CD1 3.96Å; V131-Y168 HydrophobicContact CG2-CE1 4.48Å; R138-Y168 WeakPolarHBondContact CD-O 3.4Å; F141-Y168 HydrophobicContact CD1-CE1 4.38Å; F141-Y168 HydrophobicContact CD1-CE2 4.17Å; F141-Y168 AromaticContact CD1-CZ 3.88Å; F141-Y168 HydrophobicContact CE1-CE1 4.3Å; F141-Y168 AromaticContact CE1-CZ 3.84Å; F141-Y168 WeakPolarHBondContact CE1-OH 3.24Å; A142-Y168 HydrophobicContact CB-CD2 4.5Å; A142-Y168 HydrophobicContact CB-CE2 4.3Å; V164-Y168 HydrophobicContact CG1-CE2 3.83Å; V164-Y168 WeakPolarHBondContact O-CD2 3.04Å; G165-Y168 PolarHBondContact O-N 3.26Å; N166-Y168 PolarHBondContact O-N 2.97Å; Y168-L170 PolarHBondContact O-N 3.2Å; Y168-L170 VanDerWaalsContact O-N 3.14Å; Y168-R282 PolarHBondContact OH-NH1 2.88Å; Y168-R282 VanDerWaalsContact OH-NH1 3.07Å |
| 169 | D | 93.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 42% | 0.417 | 21% | 0.21 | S | C | . | . | trans | -79.3 | 95.7 | 174.4 | -171.4 | 35.6 | 0 | 0 | 0 | 109.6 | R138 G165 N166 K278 | R138-D169 IonicContact CZ-OD1 2.71Å; R138-D169 VanDerWaalsContact CZ-OD1 3.27Å; R138-D169 IonicContact NH1-OD1 2.68Å; R138-D169 PolarHBondContact NH1-OD1 3.45Å; R138-D169 IonicContact NH2-OD1 3.26Å; R138-D169 PolarHBondContact NH2-OD1 3.3Å; G165-D169 PolarHBondContact O-N 3.09Å; N166-D169 WeakPolarHBondContact O-CB 3.16Å; N166-D169 PolarHBondContact O-N 2.89Å; N166-D169 VanDerWaalsContact O-N 3.08Å; D169-K278 PolarHBondContact O-NZ 2.91Å | ||
| 170 | L | 95.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | trans | -100.8 | 140 | -175.5 | -62.8 | -177.7 | 0 | 0 | 0 | 111.2 | L132 Y168 A174 K175 L178 V275 K278 | L132-L170 HydrophobicContact CD2-CD1 3.77Å; L132-L170 HydrophobicContact CD2-CG 4.47Å; Y168-L170 PolarHBondContact O-N 3.2Å; Y168-L170 VanDerWaalsContact O-N 3.14Å; L170-A174 HydrophobicContact CB-CB 3.89Å; L170-A174 HydrophobicContact CD2-CB 4.34Å; L170-A174 HydrophobicContact CG-CB 4.47Å; L170-K175 HydrophobicContact CB-CG 4.21Å; L170-K175 WeakPolarHBondContact O-CE 3.06Å; L170-L178 HydrophobicContact CD1-CD1 3.39Å; L170-V275 HydrophobicContact CD1-CG2 4.22Å; L170-V275 HydrophobicContact CD2-CG2 4.39Å; L170-K278 HydrophobicContact CD2-CD 3.76Å | ||
| 171 | S | 96.2 | Very high | 94 | Very high | 43 Ų | 43 | 37 Ų | 37 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | trans | -61.3 | 163.3 | 171.1 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | K173 A174 K175 E274 | S171-K173 PolarHBondContact O-N 3.32Å; S171-K173 PolarHBondContact OG-N 3.36Å; S171-A174 PolarHBondContact O-N 2.83Å; S171-A174 PolarHBondContact OG-N 3.36Å; S171-K175 WeakPolarHBondContact O-CG 3.38Å; S171-K175 PolarHBondContact O-N 2.72Å; S171-E274 WeakPolarHBondContact CB-OE2 3.42Å; S171-E274 PolarHBondContact N-OE1 2.66Å; S171-E274 PolarHBondContact OG-OE2 3.44Å | ||
| 172 | S | 95.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 36 Ų | 36 | 49% | 0.49 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.8 | -40.6 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | A174 K175 R176 | S172-A174 PolarHBondContact O-N 3.16Å; S172-K175 PolarHBondContact O-N 2.96Å; S172-R176 VanDerWaalsContact O-CG 3.24Å; S172-R176 WeakPolarHBondContact O-CG 3.34Å; S172-R176 PolarHBondContact O-N 2.91Å |
| 173 | K | 97.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.9 | -63.6 | -175.6 | -179.6 | -159.4 | 0 | 112.3 | S171 R176 F177 D267 Q270 | S171-K173 PolarHBondContact O-N 3.32Å; S171-K173 PolarHBondContact OG-N 3.36Å; K173-R176 PolarHBondContact O-N 2.93Å; K173-F177 PolarHBondContact O-N 2.77Å; K173-D267 HydrophobicContact CD-CB 4.22Å; K173-D267 WeakPolarHBondContact CE-OD1 3.29Å; K173-D267 HydrophobicContact CG-CB 4.32Å; K173-D267 IonicContact NZ-OD1 3.77Å; K173-D267 PolarHBondContact NZ-OD1 3.27Å; K173-Q270 HydrophobicContact CD-CB 4.48Å |
| 174 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L170 S171 S172 F177 L178 E274 V275 | L170-A174 HydrophobicContact CB-CB 3.89Å; L170-A174 HydrophobicContact CD2-CB 4.34Å; L170-A174 HydrophobicContact CG-CB 4.47Å; S171-A174 PolarHBondContact O-N 2.83Å; S171-A174 PolarHBondContact OG-N 3.36Å; S172-A174 PolarHBondContact O-N 3.16Å; A174-F177 PolarHBondContact O-N 2.86Å; A174-L178 WeakPolarHBondContact O-CG 3.46Å; A174-L178 PolarHBondContact O-N 3.34Å; A174-E274 HydrophobicContact CB-CB 4.36Å; A174-E274 HydrophobicContact CB-CG 4.33Å; A174-E274 WeakPolarHBondContact CB-OE2 3.34Å; A174-V275 HydrophobicContact CB-CG2 3.7Å |
| 175 | K | 96.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 16% | 0.161 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 175 | -67 | -179.2 | -174.5 | -174.7 | 0 | 111.7 | L65 L68 L170 S171 S172 F177 L178 I179 | L65-K175 HydrophobicContact CD1-CD 4.45Å; L68-K175 HydrophobicContact CD2-CB 3.87Å; L170-K175 HydrophobicContact CB-CG 4.21Å; L170-K175 WeakPolarHBondContact O-CE 3.06Å; S171-K175 WeakPolarHBondContact O-CG 3.38Å; S171-K175 PolarHBondContact O-N 2.72Å; S172-K175 PolarHBondContact O-N 2.96Å; K175-F177 PolarHBondContact O-N 3.27Å; K175-L178 PolarHBondContact O-N 2.94Å; K175-I179 WeakPolarHBondContact O-CG1 3.45Å; K175-I179 PolarHBondContact O-N 3.01Å |
| 176 | R | 97.1 | Very high | 94.5 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 25% | 0.249 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 176.6 | -67.4 | 173.3 | 70.5 | -177.3 | 8.6 | 111.6 | L68 E72 S172 K173 L178 I179 Q180 Y268 | L68-R176 HydrophobicContact CD1-CG 3.74Å; L68-R176 HydrophobicContact CD2-CG 4.16Å; L68-R176 HydrophobicContact CG-CG 4.06Å; E72-R176 HydrophobicContact CG-CB 4.38Å; E72-R176 HydrophobicContact CG-CG 4.36Å; E72-R176 WeakPolarHBondContact OE1-CG 3.36Å; E72-R176 IonicContact OE1-CZ 2.77Å; E72-R176 IonicContact OE1-NE 3.07Å; E72-R176 PolarHBondContact OE1-NE 2.91Å; E72-R176 IonicContact OE1-NH2 3.33Å; E72-R176 PolarHBondContact OE1-NH2 3.46Å; E72-R176 VanDerWaalsContact OE1-NH2 3.07Å; S172-R176 VanDerWaalsContact O-CG 3.24Å; S172-R176 WeakPolarHBondContact O-CG 3.34Å; S172-R176 PolarHBondContact O-N 2.91Å; K173-R176 PolarHBondContact O-N 2.93Å; R176-L178 PolarHBondContact O-N 2.76Å; R176-I179 PolarHBondContact O-N 3.37Å; R176-Q180 PolarHBondContact O-N 3.02Å; R176-Y268 HydrophobicContact CB-CD1 4.43Å; R176-Y268 HydrophobicContact CB-CE1 3.91Å; R176-Y268 PolarHBondContact NH2-OH 2.85Å |
| 177 | F | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 174.2 | 166.2 | -101.6 | 0 | 0 | 0 | 113 | K173 A174 K175 I179 Q180 R181 N258 A261 M262 Y268 A272 V275 Y276 | K173-F177 PolarHBondContact O-N 2.77Å; A174-F177 PolarHBondContact O-N 2.86Å; K175-F177 PolarHBondContact O-N 3.27Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 2.96Å; F177-Q180 PolarHBondContact O-N 3.47Å; F177-R181 HydrophobicContact CE2-CB 4.46Å; F177-R181 HydrophobicContact CZ-CB 4.42Å; F177-R181 VanDerWaalsContact O-CB 3.27Å; F177-R181 WeakPolarHBondContact O-CB 3.41Å; F177-R181 PolarHBondContact O-N 3.25Å; F177-N258 VanDerWaalsContact CZ-OD1 3.29Å; F177-N258 WeakPolarHBondContact CZ-OD1 3.34Å; F177-A261 HydrophobicContact CD2-CB 3.83Å; F177-A261 HydrophobicContact CE2-CB 3.87Å; F177-M262 HydrophobicContact CD2-CG 4.33Å; F177-M262 HydrophobicContact CE2-CG 3.87Å; F177-Y268 HydrophobicContact CB-CD1 4.42Å; F177-Y268 WeakPolarHBondContact CD2-O 3.41Å; F177-A272 HydrophobicContact CD1-CB 3.95Å; F177-A272 HydrophobicContact CD2-CB 3.74Å; F177-A272 HydrophobicContact CE1-CB 3.66Å; F177-A272 HydrophobicContact CE2-CB 3.45Å; F177-A272 VanDerWaalsContact CE2-CB 3.45Å; F177-A272 HydrophobicContact CG-CB 3.96Å; F177-A272 HydrophobicContact CZ-CB 3.37Å; F177-V275 HydrophobicContact CD1-CG2 4.16Å; F177-Y276 HydrophobicContact CE1-CE2 4.14Å; F177-Y276 HydrophobicContact CZ-CE2 4.03Å |
| 178 | L | 97 | Very high | 93.9 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 179.7 | -77.5 | 174.9 | 0 | 0 | 0 | 112.2 | F112 L132 L170 A174 K175 R176 R181 E182 V275 | F112-L178 HydrophobicContact CE2-CB 3.72Å; F112-L178 HydrophobicContact CE2-CD1 4.21Å; F112-L178 HydrophobicContact CE2-CG 4.43Å; F112-L178 HydrophobicContact CZ-CB 4.29Å; L132-L178 HydrophobicContact CD1-CD1 4.42Å; L170-L178 HydrophobicContact CD1-CD1 3.39Å; A174-L178 WeakPolarHBondContact O-CG 3.46Å; A174-L178 PolarHBondContact O-N 3.34Å; K175-L178 PolarHBondContact O-N 2.94Å; R176-L178 PolarHBondContact O-N 2.76Å; L178-R181 PolarHBondContact O-N 2.88Å; L178-E182 WeakPolarHBondContact O-CG 3.35Å; L178-E182 PolarHBondContact O-N 2.62Å; L178-E182 VanDerWaalsContact O-N 3.14Å; L178-V275 HydrophobicContact CD1-CG2 4.06Å; L178-V275 HydrophobicContact CD2-CG1 3.86Å; L178-V275 HydrophobicContact CD2-CG2 4.2Å; L178-V275 HydrophobicContact CG-CG1 4.44Å; L178-V275 HydrophobicContact CG-CG2 3.88Å |
| 179 | I | 95 | Very high | 93.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 178.2 | -67.6 | 159.6 | 0 | 0 | 0 | 110 | L65 L68 I69 E72 F112 K175 R176 F177 R181 E182 L183 | L65-I179 HydrophobicContact CD1-CD1 4.39Å; L68-I179 HydrophobicContact CD2-CD1 3.43Å; L68-I179 VanDerWaalsContact CD2-CD1 3.43Å; L68-I179 HydrophobicContact CG-CD1 4.45Å; I69-I179 HydrophobicContact CG1-CD1 3.54Å; I69-I179 HydrophobicContact CG1-CG1 4.11Å; E72-I179 HydrophobicContact CB-CG2 3.77Å; E72-I179 HydrophobicContact CG-CG2 4.32Å; F112-I179 HydrophobicContact CZ-CG1 4.23Å; K175-I179 WeakPolarHBondContact O-CG1 3.45Å; K175-I179 PolarHBondContact O-N 3.01Å; R176-I179 PolarHBondContact O-N 3.37Å; F177-I179 VanDerWaalsContact C-N 3.33Å; F177-I179 PolarHBondContact O-N 2.96Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 2.97Å; I179-E182 PolarHBondContact O-N 2.93Å; I179-E182 VanDerWaalsContact O-N 3.11Å; I179-L183 HydrophobicContact CG2-CD1 4.03Å; I179-L183 HydrophobicContact CG2-CG 4.41Å; I179-L183 WeakPolarHBondContact O-CG 3.11Å; I179-L183 PolarHBondContact O-N 2.78Å |
| 180 | Q | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 178.4 | -76.4 | -65.8 | -4.7 | 0 | 0 | 112.4 | E72 R176 F177 E182 L183 H184 A261 L264 Y268 | E72-Q180 HydrophobicContact CB-CG 4.38Å; E72-Q180 HydrophobicContact CG-CG 4.47Å; E72-Q180 PolarHBondContact O-NE2 3.12Å; E72-Q180 VanDerWaalsContact OE2-CD 3.31Å; E72-Q180 WeakPolarHBondContact OE2-CG 2.95Å; E72-Q180 PolarHBondContact OE2-NE2 2.92Å; R176-Q180 PolarHBondContact O-N 3.02Å; F177-Q180 PolarHBondContact O-N 3.47Å; Q180-E182 VanDerWaalsContact C-N 3.28Å; Q180-E182 PolarHBondContact O-N 3.13Å; Q180-L183 WeakPolarHBondContact O-CB 3.37Å; Q180-L183 PolarHBondContact O-N 3.27Å; Q180-H184 PolarHBondContact O-CD2 3.42Å; Q180-H184 PolarHBondContact O-N 2.76Å; Q180-A261 HydrophobicContact CB-CB 3.82Å; Q180-L264 HydrophobicContact CB-CD1 3.87Å; Q180-L264 VanDerWaalsContact CD-CD1 3.42Å; Q180-L264 HydrophobicContact CG-CD1 3.43Å; Q180-L264 VanDerWaalsContact CG-CD1 3.43Å; Q180-Y268 HydrophobicContact CB-CD1 4.41Å; Q180-Y268 HydrophobicContact CB-CE1 4.29Å; Q180-Y268 HydrophobicContact CG-CD1 4.19Å; Q180-Y268 HydrophobicContact CG-CE1 3.6Å |
| 181 | R | 95.3 | Very high | 92.9 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 16% | 0.158 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.5 | -46.1 | 175.3 | -171.6 | -167.3 | 75.7 | -170.2 | -2.7 | 110.7 | F177 L178 I179 H184 S185 A257 A261 Y276 | F177-R181 HydrophobicContact CE2-CB 4.46Å; F177-R181 HydrophobicContact CZ-CB 4.42Å; F177-R181 VanDerWaalsContact O-CB 3.27Å; F177-R181 WeakPolarHBondContact O-CB 3.41Å; F177-R181 PolarHBondContact O-N 3.25Å; L178-R181 PolarHBondContact O-N 2.88Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 2.97Å; R181-H184 PolarHBondContact O-N 3.21Å; R181-S185 WeakPolarHBondContact O-CB 3.49Å; R181-S185 PolarHBondContact O-N 3.47Å; R181-A257 HydrophobicContact CG-CB 3.95Å; R181-A257 WeakPolarHBondContact O-CB 3.4Å; R181-A261 HydrophobicContact CB-CB 4.24Å; R181-Y276 PolarHBondContact NH1-OH 2.86Å; R181-Y276 VanDerWaalsContact NH1-OH 3.16Å |
| 182 | E | 94 | Very high | 92.5 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.1 | -35.8 | 179.1 | -63.8 | -56.4 | 139.8 | 0 | 0 | 113.2 | F112 R114 I126 L178 I179 Q180 S185 I186 | F112-E182 HydrophobicContact CB-CG 3.49Å; F112-E182 VanDerWaalsContact CB-CG 3.49Å; F112-E182 HydrophobicContact CD1-CG 3.89Å; F112-E182 HydrophobicContact CD2-CG 4.07Å; F112-E182 HydrophobicContact CG-CG 3.55Å; R114-E182 VanDerWaalsContact CD-OE2 3.28Å; R114-E182 WeakPolarHBondContact CD-OE2 3.39Å; R114-E182 IonicContact CZ-OE2 2.8Å; R114-E182 IonicContact NE-OE2 3.38Å; R114-E182 PolarHBondContact NE-OE2 2.91Å; R114-E182 IonicContact NH2-OE2 2.69Å; I126-E182 HydrophobicContact CD1-CB 4.49Å; I126-E182 HydrophobicContact CG2-CB 4.4Å; L178-E182 WeakPolarHBondContact O-CG 3.35Å; L178-E182 PolarHBondContact O-N 2.62Å; L178-E182 VanDerWaalsContact O-N 3.14Å; I179-E182 PolarHBondContact O-N 2.93Å; I179-E182 VanDerWaalsContact O-N 3.11Å; Q180-E182 VanDerWaalsContact C-N 3.28Å; Q180-E182 PolarHBondContact O-N 3.13Å; E182-S185 PolarHBondContact O-N 2.88Å; E182-I186 PolarHBondContact O-N 3.01Å |
| 183 | L | 91.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 172.3 | -71.4 | 173.6 | 0 | 0 | 0 | 111.2 | V73 F76 Y102 F104 I126 I179 Q180 S185 I186 W187 | V73-L183 HydrophobicContact CG2-CD1 4.17Å; V73-L183 HydrophobicContact CG2-CD2 4.18Å; F76-L183 HydrophobicContact CB-CD1 3.95Å; F76-L183 HydrophobicContact CD1-CB 4.45Å; F76-L183 HydrophobicContact CD2-CB 3.96Å; F76-L183 HydrophobicContact CE2-CB 4.15Å; F76-L183 HydrophobicContact CG-CB 4.11Å; F76-L183 HydrophobicContact CG-CD1 4.24Å; F76-L183 HydrophobicContact CZ-CB 4.48Å; Y102-L183 HydrophobicContact CD2-CD2 4.39Å; Y102-L183 HydrophobicContact CE2-CD2 3.47Å; Y102-L183 VanDerWaalsContact CE2-CD2 3.47Å; F104-L183 HydrophobicContact CZ-CD2 4.03Å; I126-L183 HydrophobicContact CD1-CD2 4.05Å; I179-L183 HydrophobicContact CG2-CD1 4.03Å; I179-L183 HydrophobicContact CG2-CG 4.41Å; I179-L183 WeakPolarHBondContact O-CG 3.11Å; I179-L183 PolarHBondContact O-N 2.78Å; Q180-L183 WeakPolarHBondContact O-CB 3.37Å; Q180-L183 PolarHBondContact O-N 3.27Å; L183-S185 VanDerWaalsContact C-N 3.29Å; L183-S185 PolarHBondContact O-N 3.33Å; L183-I186 WeakPolarHBondContact O-CG2 3.42Å; L183-W187 WeakPolarHBondContact O-CB 3.3Å; L183-W187 VanDerWaalsContact O-CD1 3.27Å; L183-W187 PolarHBondContact O-N 2.77Å |
| 184 | H | 91 | Very high | 92 | Very high | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.069 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.9 | -81 | -92.6 | 0 | 0 | 0 | 111.9 | F76 Q180 R181 W187 C188 A257 F336 | F76-H184 AromaticContact CD2-CD2 3.78Å; F76-H184 AromaticContact CD2-NE2 3.66Å; F76-H184 AromaticContact CE2-CD2 3.61Å; F76-H184 AromaticContact CE2-CE1 3.84Å; F76-H184 AromaticContact CE2-CG 3.78Å; F76-H184 AromaticContact CE2-ND1 3.91Å; F76-H184 AromaticContact CE2-NE2 3.64Å; Q180-H184 PolarHBondContact O-CD2 3.42Å; Q180-H184 PolarHBondContact O-N 2.76Å; R181-H184 PolarHBondContact O-N 3.21Å; H184-W187 PolarHBondContact O-N 3.48Å; H184-C188 WeakPolarHBondContact O-CB 3.14Å; H184-C188 PolarHBondContact O-N 2.83Å; H184-A257 HydrophobicContact CB-CB 4.26Å; H184-F336 AromaticContact CE1-CE2 3.72Å; H184-F336 AromaticContact ND1-CE2 3.15Å; H184-F336 WeakPolarHBondContact ND1-CE2 3.33Å; H184-F336 AromaticContact ND1-CZ 3.75Å |
| 185 | S | 91.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.3 | -39.5 | -177.4 | -152.7 | 0 | 0 | 0 | 0 | 113.4 | R114 R181 E182 L183 W187 C188 T253 | R114-S185 PolarHBondContact NH1-O 3.22Å; R114-S185 PolarHBondContact NH1-OG 3.47Å; R114-S185 PolarHBondContact NH2-OG 3.45Å; R114-S185 VanDerWaalsContact NH2-OG 3.15Å; R181-S185 WeakPolarHBondContact O-CB 3.49Å; R181-S185 PolarHBondContact O-N 3.47Å; E182-S185 PolarHBondContact O-N 2.88Å; L183-S185 VanDerWaalsContact C-N 3.29Å; L183-S185 PolarHBondContact O-N 3.33Å; S185-W187 PolarHBondContact O-N 3.2Å; S185-C188 PolarHBondContact O-N 3.26Å; S185-T253 WeakPolarHBondContact OG-CG2 3.41Å |
| 186 | I | 89.5 | Confident | 91.6 | Very high | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.6 | -26.7 | 177.4 | -153.8 | 175.9 | 0 | 0 | 0 | 111.7 | R114 P118 I126 E182 L183 | R114-I186 HydrophobicContact CG-CD1 4.49Å; R114-I186 HydrophobicContact CG-CG1 4.46Å; P118-I186 HydrophobicContact CG-CG1 4.48Å; P118-I186 HydrophobicContact CG-CG2 4.21Å; I126-I186 HydrophobicContact CD1-CD1 4.33Å; I126-I186 HydrophobicContact CD1-CG2 4.24Å; I126-I186 HydrophobicContact CG1-CD1 3.88Å; E182-I186 PolarHBondContact O-N 3.01Å; L183-I186 WeakPolarHBondContact O-CG2 3.42Å |
| 187 | W | 86.1 | Confident | 91.4 | Very high | 8 Ų | 8 | 23 Ų | 23 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -89.7 | -10 | 176.7 | -86.2 | 94 | 0 | 0 | 0 | 114.9 | F76 Q98 F99 Y102 P118 R119 L183 H184 S185 | F76-W187 AromaticContact CE1-CD1 3.4Å; F76-W187 HydrophobicContact CE1-CD2 4.35Å; F76-W187 AromaticContact CE1-CG 3.88Å; F76-W187 HydrophobicContact CE1-CG 3.88Å; F76-W187 AromaticContact CE1-NE1 3.59Å; F76-W187 HydrophobicContact CZ-CB 3.96Å; F76-W187 AromaticContact CZ-CD1 3.57Å; F76-W187 AromaticContact CZ-CG 3.75Å; F76-W187 HydrophobicContact CZ-CG 3.75Å; Q98-W187 HydrophobicContact CB-CH2 3.75Å; Q98-W187 HydrophobicContact CB-CZ2 4.38Å; Q98-W187 HydrophobicContact CG-CH2 3.76Å; Q98-W187 WeakPolarHBondContact O-CZ2 3.21Å; F99-W187 AromaticContact CD1-CH2 3.84Å; F99-W187 HydrophobicContact CD1-CH2 3.84Å; F99-W187 AromaticContact CD1-CZ2 3.68Å; F99-W187 HydrophobicContact CD1-CZ2 3.68Å; F99-W187 AromaticContact CE1-CH2 3.82Å; F99-W187 HydrophobicContact CE1-CH2 3.82Å; F99-W187 HydrophobicContact CE1-CZ2 4.09Å; F99-W187 HydrophobicContact CE1-CZ3 4.34Å; F99-W187 HydrophobicContact CG-CZ2 4.47Å; Y102-W187 AromaticContact CE1-NE1 3.9Å; P118-W187 HydrophobicContact CB-CZ2 4Å; P118-W187 HydrophobicContact CG-CD2 3.95Å; P118-W187 HydrophobicContact CG-CG 4.17Å; P118-W187 HydrophobicContact CG-CZ2 4.16Å; R119-W187 HydrophobicContact CG-CE3 4.49Å; R119-W187 HydrophobicContact CG-CZ3 4.28Å; R119-W187 PolarHBondContact NH2-O 3.33Å; L183-W187 WeakPolarHBondContact O-CB 3.3Å; L183-W187 VanDerWaalsContact O-CD1 3.27Å; L183-W187 PolarHBondContact O-N 2.77Å; H184-W187 PolarHBondContact O-N 3.48Å; S185-W187 PolarHBondContact O-N 3.2Å |
| 188 | C | 85.6 | Confident | 91.3 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.8 | -61.3 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | R119 H184 S185 T253 T256 | R119-C188 PolarHBondContact NH2-O 3.04Å; H184-C188 WeakPolarHBondContact O-CB 3.14Å; H184-C188 PolarHBondContact O-N 2.83Å; S185-C188 PolarHBondContact O-N 3.26Å; C188-T253 HydrophobicContact CB-CG2 4.2Å; C188-T256 HydrophobicContact CB-CG2 4.41Å |
| 189 | I | 84.9 | Confident | 91.2 | Very high | 37 Ų | 37 | 24.3 Ų | 24.3 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | trans | -130.9 | 136.9 | -178.7 | -65.9 | 175.3 | 0 | 0 | 0 | 108.3 | R191 A194 Y252 | I189-R191 PolarHBondContact O-N 3.17Å; I189-A194 HydrophobicContact CG2-CB 3.56Å; I189-Y252 HydrophobicContact CD1-CD1 4.14Å | ||
| 190 | D | 87.8 | Confident | 91.1 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | trans | -68.2 | 85.4 | 165.9 | -169.2 | -44.3 | 0 | 0 | 0 | 108.4 | S117 P192 F193 A194 | S117-D190 WeakPolarHBondContact CB-OD1 3.14Å; S117-D190 WeakPolarHBondContact CB-OD2 3.3Å; S117-D190 PolarHBondContact OG-OD2 3.33Å; D190-P192 WeakPolarHBondContact OD1-CD 3.41Å; D190-P192 WeakPolarHBondContact OD1-CG 3.4Å; D190-F193 HydrophobicContact CB-CB 3.98Å; D190-F193 VanDerWaalsContact CG-CB 3.48Å; D190-F193 PolarHBondContact O-N 3.41Å; D190-F193 WeakPolarHBondContact OD1-CB 3.43Å; D190-F193 PolarHBondContact OD1-N 3.46Å; D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.41Å; D190-A194 PolarHBondContact O-N 3.5Å | ||
| 191 | R | 88.2 | Confident | 91.1 | Very high | 120 Ų | 120 | 30.9 Ų | 30.9 | 45% | 0.453 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -55.4 | -50.2 | -173.6 | 178.3 | -177.7 | 163.7 | 164.9 | -4.8 | 113.1 | Y35 I189 F193 A194 I195 | Y35-R191 PolarHBondContact OH-NE 3.07Å; I189-R191 PolarHBondContact O-N 3.17Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.89Å; R191-A194 PolarHBondContact O-N 3.24Å; R191-I195 HydrophobicContact CG-CD1 3.62Å; R191-I195 HydrophobicContact CG-CG1 4.3Å; R191-I195 WeakPolarHBondContact O-CB 3.34Å; R191-I195 WeakPolarHBondContact O-CG1 3.11Å; R191-I195 PolarHBondContact O-N 3.37Å |
| 192 | P | 89.5 | Confident | 91 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 178.5 | 18.8 | -27.4 | 0 | 0 | 0 | 111.5 | Y36 D39 D190 S196 | Y36-P192 HydrophobicContact CD2-CB 4.14Å; D39-P192 HydrophobicContact CB-CB 4.24Å; D190-P192 WeakPolarHBondContact OD1-CD 3.41Å; D190-P192 WeakPolarHBondContact OD1-CG 3.4Å; P192-S196 VanDerWaalsContact O-CB 3.26Å; P192-S196 WeakPolarHBondContact O-CB 3.18Å; P192-S196 PolarHBondContact O-N 3.07Å; P192-S196 VanDerWaalsContact O-N 3.17Å; P192-S196 PolarHBondContact O-OG 2.94Å |
| 193 | F | 90.7 | Very high | 91 | Very high | 87 Ų | 87 | 29.2 Ų | 29.2 | 38% | 0.382 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.3 | -50.2 | 178.2 | -175 | -105.7 | 0 | 0 | 0 | 112.6 | Y36 D190 R191 I195 S196 C197 | Y36-F193 HydrophobicContact CE2-CB 4.21Å; Y36-F193 HydrophobicContact CE2-CD2 4.29Å; D190-F193 HydrophobicContact CB-CB 3.98Å; D190-F193 VanDerWaalsContact CG-CB 3.48Å; D190-F193 PolarHBondContact O-N 3.41Å; D190-F193 WeakPolarHBondContact OD1-CB 3.43Å; D190-F193 PolarHBondContact OD1-N 3.46Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.89Å; F193-I195 PolarHBondContact O-N 2.89Å; F193-S196 PolarHBondContact O-N 3.37Å; F193-C197 WeakPolarHBondContact CZ-SG 3.22Å; F193-C197 WeakPolarHBondContact O-CB 3.44Å; F193-C197 PolarHBondContact O-N 3.08Å; F193-C197 PolarHBondContact O-SG 2.92Å |
| 194 | A | 91.7 | Very high | 91 | Very high | 27 Ų | 27 | 35 Ų | 35 | 22% | 0.223 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I189 D190 R191 C197 L198 | I189-A194 HydrophobicContact CG2-CB 3.56Å; D190-A194 VanDerWaalsContact O-CB 3.23Å; D190-A194 WeakPolarHBondContact O-CB 3.41Å; D190-A194 PolarHBondContact O-N 3.5Å; R191-A194 PolarHBondContact O-N 3.24Å; A194-C197 PolarHBondContact O-N 3.4Å; A194-L198 VanDerWaalsContact O-CB 3.25Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.43Å |
| 195 | I | 91.9 | Very high | 91.1 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 16% | 0.159 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.5 | -67.7 | 176 | 0 | 0 | 0 | 109.7 | Y35 R191 F193 L198 T199 L246 | Y35-I195 HydrophobicContact CD1-CB 3.99Å; Y35-I195 HydrophobicContact CD1-CG2 3.75Å; Y35-I195 HydrophobicContact CE1-CB 3.77Å; Y35-I195 HydrophobicContact CE1-CD1 3.78Å; Y35-I195 HydrophobicContact CE1-CG1 4.33Å; Y35-I195 HydrophobicContact CE1-CG2 3.81Å; Y35-I195 HydrophobicContact CG-CG2 4.27Å; R191-I195 HydrophobicContact CG-CD1 3.62Å; R191-I195 HydrophobicContact CG-CG1 4.3Å; R191-I195 WeakPolarHBondContact O-CB 3.34Å; R191-I195 WeakPolarHBondContact O-CG1 3.11Å; R191-I195 PolarHBondContact O-N 3.37Å; F193-I195 PolarHBondContact O-N 2.89Å; I195-L198 PolarHBondContact O-N 3.31Å; I195-T199 WeakPolarHBondContact O-CB 3.33Å; I195-T199 PolarHBondContact O-N 2.87Å; I195-T199 PolarHBondContact O-OG1 3.29Å; I195-L246 HydrophobicContact CG1-CD2 4.03Å |
| 196 | S | 92.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.9 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | G32 Y36 P192 F193 T199 I200 | G32-S196 VanDerWaalsContact O-CB 3.27Å; G32-S196 WeakPolarHBondContact O-CB 3.41Å; G32-S196 PolarHBondContact O-OG 2.9Å; Y36-S196 VanDerWaalsContact CB-OG 3.3Å; Y36-S196 WeakPolarHBondContact CB-OG 3.38Å; Y36-S196 PolarHBondContact N-OG 2.73Å; P192-S196 VanDerWaalsContact O-CB 3.26Å; P192-S196 WeakPolarHBondContact O-CB 3.18Å; P192-S196 PolarHBondContact O-N 3.07Å; P192-S196 VanDerWaalsContact O-N 3.17Å; P192-S196 PolarHBondContact O-OG 2.94Å; F193-S196 PolarHBondContact O-N 3.37Å; S196-T199 PolarHBondContact O-N 3.47Å; S196-I200 WeakPolarHBondContact O-CB 3.29Å; S196-I200 WeakPolarHBondContact O-CD1 3.46Å; S196-I200 WeakPolarHBondContact O-CG1 3.39Å; S196-I200 PolarHBondContact O-N 3.12Å |
| 197 | C | 93.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 173.8 | -76 | 0 | 0 | 0 | 0 | 111.4 | F193 A194 T199 I200 V201 | F193-C197 WeakPolarHBondContact CZ-SG 3.22Å; F193-C197 WeakPolarHBondContact O-CB 3.44Å; F193-C197 PolarHBondContact O-N 3.08Å; F193-C197 PolarHBondContact O-SG 2.92Å; A194-C197 PolarHBondContact O-N 3.4Å; C197-T199 VanDerWaalsContact C-N 3.35Å; C197-T199 PolarHBondContact O-N 2.85Å; C197-I200 PolarHBondContact O-N 3.41Å; C197-V201 WeakPolarHBondContact O-CB 3.03Å; C197-V201 VanDerWaalsContact O-CG2 3.32Å; C197-V201 WeakPolarHBondContact O-CG2 3.47Å; C197-V201 PolarHBondContact O-N 3.2Å |
| 198 | L | 94.9 | Very high | 91.3 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 177.7 | -177.5 | 64.1 | 0 | 0 | 0 | 111.3 | A194 I195 V201 T202 Y242 I245 L246 | A194-L198 VanDerWaalsContact O-CB 3.25Å; A194-L198 WeakPolarHBondContact O-CB 3.23Å; A194-L198 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.31Å; L198-V201 PolarHBondContact O-N 2.75Å; L198-T202 VanDerWaalsContact O-CB 3.27Å; L198-T202 WeakPolarHBondContact O-CB 3.29Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.64Å; L198-Y242 HydrophobicContact CB-CE2 4.42Å; L198-Y242 HydrophobicContact CD1-CD2 4.45Å; L198-Y242 HydrophobicContact CD2-CD2 3.9Å; L198-Y242 HydrophobicContact CD2-CE2 3.84Å; L198-Y242 HydrophobicContact CG-CD2 3.72Å; L198-Y242 HydrophobicContact CG-CE2 3.72Å; L198-I245 HydrophobicContact CD1-CB 4.36Å; L198-I245 HydrophobicContact CD1-CD1 3.96Å; L198-I245 HydrophobicContact CD1-CG2 3.89Å; L198-I245 HydrophobicContact CD2-CB 4.11Å; L198-I245 HydrophobicContact CD2-CG2 3.65Å; L198-I245 HydrophobicContact CG-CG2 4.43Å; L198-L246 HydrophobicContact CD2-CD2 3.72Å; L198-L246 HydrophobicContact CD2-CG 3.85Å |
| 199 | T | 94.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | T28 I195 S196 C197 T202 A203 Y242 | T28-T199 HydrophobicContact CG2-CG2 3.84Å; T28-T199 VanDerWaalsContact O-CG2 3.31Å; T28-T199 WeakPolarHBondContact O-CG2 3.31Å; I195-T199 WeakPolarHBondContact O-CB 3.33Å; I195-T199 PolarHBondContact O-N 2.87Å; I195-T199 PolarHBondContact O-OG1 3.29Å; S196-T199 PolarHBondContact O-N 3.47Å; C197-T199 VanDerWaalsContact C-N 3.35Å; C197-T199 PolarHBondContact O-N 2.85Å; T199-T202 PolarHBondContact O-N 2.82Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 3.29Å; T199-Y242 PolarHBondContact OG1-OH 2.8Å; T199-Y242 VanDerWaalsContact OG1-OH 3.1Å |
| 200 | I | 93.2 | Very high | 91.7 | Very high | 49 Ų | 49 | 48.2 Ų | 48.2 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -48 | 178.7 | -69.8 | 165.2 | 0 | 0 | 0 | 110.8 | A29 V33 S196 C197 T202 A203 F204 | A29-I200 HydrophobicContact CB-CG1 4.29Å; V33-I200 HydrophobicContact CG2-CD1 4.09Å; S196-I200 WeakPolarHBondContact O-CB 3.29Å; S196-I200 WeakPolarHBondContact O-CD1 3.46Å; S196-I200 WeakPolarHBondContact O-CG1 3.39Å; S196-I200 PolarHBondContact O-N 3.12Å; C197-I200 PolarHBondContact O-N 3.41Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.07Å; I200-A203 VanDerWaalsContact O-CB 3.32Å; I200-A203 WeakPolarHBondContact O-CB 3.4Å; I200-A203 PolarHBondContact O-N 3.05Å; I200-A203 VanDerWaalsContact O-N 3.11Å; I200-F204 HydrophobicContact CG2-CD2 3.67Å; I200-F204 HydrophobicContact CG2-CE2 3.49Å; I200-F204 VanDerWaalsContact CG2-CE2 3.49Å; I200-F204 VanDerWaalsContact O-CD2 3.24Å; I200-F204 WeakPolarHBondContact O-CD2 3.26Å; I200-F204 PolarHBondContact O-N 3.45Å |
| 201 | V | 94.7 | Very high | 91.6 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -58.9 | -44.1 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.7 | C197 L198 A203 F204 L205 | C197-V201 WeakPolarHBondContact O-CB 3.03Å; C197-V201 VanDerWaalsContact O-CG2 3.32Å; C197-V201 WeakPolarHBondContact O-CG2 3.47Å; C197-V201 PolarHBondContact O-N 3.2Å; L198-V201 PolarHBondContact O-N 2.75Å; V201-A203 VanDerWaalsContact C-N 3.3Å; V201-A203 PolarHBondContact O-N 3.39Å; V201-F204 PolarHBondContact O-N 2.84Å; V201-L205 WeakPolarHBondContact O-CB 3.24Å; V201-L205 PolarHBondContact O-N 3.04Å |
| 202 | T | 94.2 | Very high | 91.7 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L198 T199 I200 L205 L206 I238 Y242 | L198-T202 VanDerWaalsContact O-CB 3.27Å; L198-T202 WeakPolarHBondContact O-CB 3.29Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.64Å; T199-T202 PolarHBondContact O-N 2.82Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 3.07Å; T202-L205 PolarHBondContact O-N 2.96Å; T202-L206 HydrophobicContact CG2-CD1 4.17Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 WeakPolarHBondContact O-CG 3.43Å; T202-L206 PolarHBondContact O-N 2.98Å; T202-I238 HydrophobicContact CG2-CG2 3.71Å; T202-Y242 HydrophobicContact CG2-CD2 4.13Å; T202-Y242 HydrophobicContact CG2-CG 4.3Å; T202-Y242 VanDerWaalsContact OG1-CD2 3.28Å; T202-Y242 WeakPolarHBondContact OG1-CD2 3.28Å |
| 203 | A | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S25 T28 A29 T199 I200 V201 G207 | S25-A203 WeakPolarHBondContact CB-O 3.06Å; S25-A203 WeakPolarHBondContact O-CB 3.03Å; S25-A203 PolarHBondContact OG-O 2.92Å; T28-A203 HydrophobicContact CG2-CB 3.77Å; A29-A203 HydrophobicContact CB-CB 4.18Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 3.29Å; I200-A203 VanDerWaalsContact O-CB 3.32Å; I200-A203 WeakPolarHBondContact O-CB 3.4Å; I200-A203 PolarHBondContact O-N 3.05Å; I200-A203 VanDerWaalsContact O-N 3.11Å; V201-A203 VanDerWaalsContact C-N 3.3Å; V201-A203 PolarHBondContact O-N 3.39Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-G207 VanDerWaalsContact O-N 3.08Å |
| 204 | F | 92.6 | Very high | 91.3 | Very high | 122 Ų | 122 | 46.2 Ų | 46.2 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 174.7 | -83.1 | -68.1 | 0 | 0 | 0 | 111.7 | I200 V201 G207 K208 | I200-F204 HydrophobicContact CG2-CD2 3.67Å; I200-F204 HydrophobicContact CG2-CE2 3.49Å; I200-F204 VanDerWaalsContact CG2-CE2 3.49Å; I200-F204 VanDerWaalsContact O-CD2 3.24Å; I200-F204 WeakPolarHBondContact O-CD2 3.26Å; I200-F204 PolarHBondContact O-N 3.45Å; V201-F204 PolarHBondContact O-N 2.84Å; F204-G207 PolarHBondContact O-N 2.91Å; F204-K208 WeakPolarHBondContact O-CB 3.28Å; F204-K208 WeakPolarHBondContact O-CG 3.45Å; F204-K208 PolarHBondContact O-N 3.41Å |
| 205 | L | 93.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.7 | -173 | 64.4 | 0 | 0 | 0 | 111.1 | V201 T202 G207 K208 M209 I238 | V201-L205 WeakPolarHBondContact O-CB 3.24Å; V201-L205 PolarHBondContact O-N 3.04Å; T202-L205 PolarHBondContact O-N 2.96Å; L205-G207 PolarHBondContact O-N 3.45Å; L205-K208 PolarHBondContact O-N 3.32Å; L205-M209 HydrophobicContact CD1-CG 4Å; L205-M209 HydrophobicContact CG-CG 4.26Å; L205-M209 VanDerWaalsContact O-CB 3.28Å; L205-M209 WeakPolarHBondContact O-CB 3.47Å; L205-M209 VanDerWaalsContact O-CG 3.27Å; L205-M209 WeakPolarHBondContact O-CG 3.49Å; L205-M209 PolarHBondContact O-N 3.28Å; L205-I238 HydrophobicContact CD2-CD1 4.39Å; L205-I238 HydrophobicContact CD2-CG1 4.11Å; L205-I238 HydrophobicContact CD2-CG2 4.23Å; L205-I238 HydrophobicContact CG-CD1 4.12Å; L205-I238 HydrophobicContact CG-CG1 4.39Å |
| 206 | L | 91.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.8 | -48 | 173.9 | -80.3 | 165.6 | 0 | 0 | 0 | 111.7 | T202 H210 I235 I238 | T202-L206 HydrophobicContact CG2-CD1 4.17Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 WeakPolarHBondContact O-CG 3.43Å; T202-L206 PolarHBondContact O-N 2.98Å; L206-H210 WeakPolarHBondContact O-CB 3.44Å; L206-H210 PolarHBondContact O-N 3.33Å; L206-I235 HydrophobicContact CD2-CB 4.47Å; L206-I235 HydrophobicContact CD2-CG1 4.17Å; L206-I235 HydrophobicContact CD2-CG2 4.44Å; L206-I238 HydrophobicContact CD1-CG2 4.44Å; L206-I238 HydrophobicContact CD2-CB 4.03Å; L206-I238 HydrophobicContact CD2-CD1 3.79Å; L206-I238 HydrophobicContact CD2-CG2 3.99Å; L206-I238 HydrophobicContact CG-CB 4.4Å; L206-I238 HydrophobicContact CG-CD1 4.2Å; L206-I238 HydrophobicContact CG-CG2 3.81Å |
| 207 | G | 88.3 | Confident | 90.8 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S21 A203 F204 L205 S211 | S21-G207 WeakPolarHBondContact OG-CA 3.44Å; S21-G207 PolarHBondContact OG-O 3.28Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-G207 VanDerWaalsContact O-N 3.08Å; F204-G207 PolarHBondContact O-N 2.91Å; L205-G207 PolarHBondContact O-N 3.45Å; G207-S211 WeakPolarHBondContact O-CB 3.47Å; G207-S211 PolarHBondContact O-N 2.95Å |
| 208 | K | 90.1 | Very high | 90.3 | Very high | 155 Ų | 155 | 50.2 Ų | 50.2 | 67% | 0.674 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.9 | -47.9 | 179.9 | -73.2 | -72.3 | -174.4 | 171.9 | 0 | 112 | F204 L205 S211 F212 | F204-K208 WeakPolarHBondContact O-CB 3.28Å; F204-K208 WeakPolarHBondContact O-CG 3.45Å; F204-K208 PolarHBondContact O-N 3.41Å; L205-K208 PolarHBondContact O-N 3.32Å; K208-S211 PolarHBondContact O-N 3.47Å; K208-F212 WeakPolarHBondContact O-CB 3.23Å; K208-F212 PolarHBondContact O-N 2.86Å |
| 209 | M | 90.4 | Very high | 90 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.8 | -70.7 | -59.2 | -68.5 | 0 | 0 | 111.4 | L205 S211 F212 S213 I234 I238 | L205-M209 HydrophobicContact CD1-CG 4Å; L205-M209 HydrophobicContact CG-CG 4.26Å; L205-M209 VanDerWaalsContact O-CB 3.28Å; L205-M209 WeakPolarHBondContact O-CB 3.47Å; L205-M209 VanDerWaalsContact O-CG 3.27Å; L205-M209 WeakPolarHBondContact O-CG 3.49Å; L205-M209 PolarHBondContact O-N 3.28Å; M209-S211 PolarHBondContact O-N 3.15Å; M209-F212 PolarHBondContact O-N 3.43Å; M209-S213 WeakPolarHBondContact O-CB 3.4Å; M209-S213 PolarHBondContact O-N 2.9Å; M209-S213 PolarHBondContact O-OG 2.81Å; M209-I234 HydrophobicContact CB-CG2 3.87Å; M209-I238 HydrophobicContact CB-CD1 4.11Å; M209-I238 HydrophobicContact CG-CD1 4.11Å |
| 210 | H | 87.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 174.6 | 177.8 | -81.2 | 0 | 0 | 0 | 111.6 | S17 S21 L206 F212 S213 V214 | S17-H210 PolarHBondContact OG-CE1 3.4Å; S21-H210 WeakPolarHBondContact CB-ND1 3.18Å; S21-H210 PolarHBondContact OG-ND1 2.77Å; L206-H210 WeakPolarHBondContact O-CB 3.44Å; L206-H210 PolarHBondContact O-N 3.33Å; H210-F212 VanDerWaalsContact C-N 3.31Å; H210-F212 PolarHBondContact O-N 3.29Å; H210-S213 PolarHBondContact O-N 3.17Å; H210-V214 WeakPolarHBondContact O-CG2 3.21Å; H210-V214 PolarHBondContact O-N 2.85Å |
| 211 | S | 86.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 178.2 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | G207 K208 M209 N215 | G207-S211 WeakPolarHBondContact O-CB 3.47Å; G207-S211 PolarHBondContact O-N 2.95Å; K208-S211 PolarHBondContact O-N 3.47Å; M209-S211 PolarHBondContact O-N 3.15Å; S211-N215 WeakPolarHBondContact O-CB 3.27Å; S211-N215 PolarHBondContact O-N 2.92Å; S211-N215 VanDerWaalsContact O-N 3.11Å; S211-N215 PolarHBondContact O-ND2 3.16Å |
| 212 | F | 89.4 | Confident | 89.1 | Confident | 127 Ų | 127 | 64.9 Ų | 64.9 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.6 | -50.5 | 176.2 | 175.3 | -100.4 | 0 | 0 | 0 | 111.1 | K208 M209 H210 V214 N215 C216 | K208-F212 WeakPolarHBondContact O-CB 3.23Å; K208-F212 PolarHBondContact O-N 2.86Å; M209-F212 PolarHBondContact O-N 3.43Å; H210-F212 VanDerWaalsContact C-N 3.31Å; H210-F212 PolarHBondContact O-N 3.29Å; F212-V214 PolarHBondContact O-N 3.24Å; F212-N215 PolarHBondContact O-N 3.35Å; F212-C216 VanDerWaalsContact CZ-SG 3.51Å; F212-C216 WeakPolarHBondContact O-CB 3.45Å; F212-C216 PolarHBondContact O-N 2.89Å; F212-C216 PolarHBondContact O-SG 3.41Å; F212-C216 VanDerWaalsContact O-SG 3.36Å |
| 213 | S | 88.5 | Confident | 88.8 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 178.7 | -65 | 0 | 0 | 0 | 0 | 112.1 | M209 H210 N215 C216 F217 I234 | M209-S213 WeakPolarHBondContact O-CB 3.4Å; M209-S213 PolarHBondContact O-N 2.9Å; M209-S213 PolarHBondContact O-OG 2.81Å; H210-S213 PolarHBondContact O-N 3.17Å; S213-N215 VanDerWaalsContact C-N 3.32Å; S213-N215 PolarHBondContact O-N 2.84Å; S213-C216 PolarHBondContact O-N 3.14Å; S213-F217 WeakPolarHBondContact O-CB 3.18Å; S213-F217 VanDerWaalsContact O-CD1 3.23Å; S213-F217 WeakPolarHBondContact O-CD1 3.29Å; S213-F217 WeakPolarHBondContact O-CD2 3.46Å; S213-F217 WeakPolarHBondContact O-CG 3.41Å; S213-F217 PolarHBondContact O-N 2.95Å; S213-I234 WeakPolarHBondContact OG-CD1 3.42Å |
| 214 | V | 85 | Confident | 88.4 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | H210 F212 F217 N218 | H210-V214 WeakPolarHBondContact O-CG2 3.21Å; H210-V214 PolarHBondContact O-N 2.85Å; F212-V214 PolarHBondContact O-N 3.24Å; V214-F217 PolarHBondContact O-N 3.43Å; V214-N218 WeakPolarHBondContact O-CB 3.45Å; V214-N218 PolarHBondContact O-N 3.5Å; V214-N218 PolarHBondContact O-ND2 3.26Å |
| 215 | N | 86.6 | Confident | 88.2 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.3 | -74.3 | -16.9 | 0 | 0 | 0 | 112.1 | S211 F212 S213 N218 K219 | S211-N215 WeakPolarHBondContact O-CB 3.27Å; S211-N215 PolarHBondContact O-N 2.92Å; S211-N215 VanDerWaalsContact O-N 3.11Å; S211-N215 PolarHBondContact O-ND2 3.16Å; F212-N215 PolarHBondContact O-N 3.35Å; S213-N215 VanDerWaalsContact C-N 3.32Å; S213-N215 PolarHBondContact O-N 2.84Å; N215-N218 PolarHBondContact O-N 2.91Å; N215-K219 WeakPolarHBondContact O-CG 3.45Å; N215-K219 PolarHBondContact O-N 2.91Å; N215-K219 VanDerWaalsContact O-N 3.1Å |
| 216 | C | 88.6 | Confident | 87.9 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 32% | 0.324 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.3 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | F212 S213 N218 K219 A220 | F212-C216 VanDerWaalsContact CZ-SG 3.51Å; F212-C216 WeakPolarHBondContact O-CB 3.45Å; F212-C216 PolarHBondContact O-N 2.89Å; F212-C216 PolarHBondContact O-SG 3.41Å; F212-C216 VanDerWaalsContact O-SG 3.36Å; S213-C216 PolarHBondContact O-N 3.14Å; C216-N218 VanDerWaalsContact C-N 3.33Å; C216-N218 PolarHBondContact O-N 2.82Å; C216-K219 PolarHBondContact O-N 3.49Å; C216-A220 WeakPolarHBondContact O-CB 3.26Å; C216-A220 PolarHBondContact O-N 2.96Å |
| 217 | F | 89 | Confident | 87.8 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 179.4 | -58.5 | -21.2 | 0 | 0 | 0 | 113.2 | S213 V214 K221 L222 R227 V230 L231 | S213-F217 WeakPolarHBondContact O-CB 3.18Å; S213-F217 VanDerWaalsContact O-CD1 3.23Å; S213-F217 WeakPolarHBondContact O-CD1 3.29Å; S213-F217 WeakPolarHBondContact O-CD2 3.46Å; S213-F217 WeakPolarHBondContact O-CG 3.41Å; S213-F217 PolarHBondContact O-N 2.95Å; V214-F217 PolarHBondContact O-N 3.43Å; F217-K221 PolarHBondContact O-N 3.17Å; F217-L222 HydrophobicContact CB-CD1 4.39Å; F217-L222 HydrophobicContact CD1-CD1 3.53Å; F217-L222 HydrophobicContact CE1-CD1 4.2Å; F217-L222 HydrophobicContact CG-CD1 4.22Å; F217-L222 PolarHBondContact O-N 3.39Å; F217-L222 VanDerWaalsContact O-N 3.15Å; F217-R227 HydrophobicContact CB-CG 3.76Å; F217-R227 HydrophobicContact CD2-CB 3.64Å; F217-R227 HydrophobicContact CD2-CG 3.61Å; F217-R227 HydrophobicContact CE2-CB 3.98Å; F217-R227 HydrophobicContact CE2-CG 4.37Å; F217-R227 HydrophobicContact CG-CB 4.26Å; F217-R227 HydrophobicContact CG-CG 3.74Å; F217-R227 PolarHBondContact O-NH2 3.47Å; F217-V230 HydrophobicContact CE1-CB 4.08Å; F217-V230 HydrophobicContact CE1-CG1 3.85Å; F217-V230 HydrophobicContact CE1-CG2 4.46Å; F217-V230 HydrophobicContact CZ-CB 3.58Å; F217-V230 HydrophobicContact CZ-CG1 3.47Å; F217-V230 VanDerWaalsContact CZ-CG1 3.47Å; F217-V230 HydrophobicContact CZ-CG2 4.41Å; F217-L231 HydrophobicContact CE2-CD1 4.36Å; F217-L231 HydrophobicContact CE2-CD2 4.08Å; F217-L231 HydrophobicContact CE2-CG 3.86Å |
| 218 | N | 83.6 | Confident | 87.8 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 176.5 | -69.9 | -28.3 | 0 | 0 | 0 | 111.1 | P13 V214 N215 C216 K221 R227 | P13-N218 WeakPolarHBondContact CA-ND2 3.5Å; P13-N218 WeakPolarHBondContact CB-ND2 2.97Å; P13-N218 WeakPolarHBondContact CB-OD1 3.43Å; V214-N218 WeakPolarHBondContact O-CB 3.45Å; V214-N218 PolarHBondContact O-N 3.5Å; V214-N218 PolarHBondContact O-ND2 3.26Å; N215-N218 PolarHBondContact O-N 2.91Å; C216-N218 VanDerWaalsContact C-N 3.33Å; C216-N218 PolarHBondContact O-N 2.82Å; N218-K221 PolarHBondContact O-N 2.83Å; N218-R227 PolarHBondContact OD1-NH1 3.25Å |
| 219 | K | 88.3 | Confident | 87.9 | Confident | 183 Ų | 183 | 65 Ų | 65 | 80% | 0.796 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 174.8 | -71.2 | -178.6 | 179.6 | -174.4 | 0 | 111.9 | N215 C216 K221 | N215-K219 WeakPolarHBondContact O-CG 3.45Å; N215-K219 PolarHBondContact O-N 2.91Å; N215-K219 VanDerWaalsContact O-N 3.1Å; C216-K219 PolarHBondContact O-N 3.49Å; K219-K221 VanDerWaalsContact C-N 3.25Å; K219-K221 PolarHBondContact O-N 3.04Å |
| 220 | A | 90.3 | Very high | 87.9 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | C216 L222 | C216-A220 WeakPolarHBondContact O-CB 3.26Å; C216-A220 PolarHBondContact O-N 2.96Å; A220-L222 HydrophobicContact CB-CD1 4.35Å; A220-L222 HydrophobicContact CB-CG 3.94Å; A220-L222 PolarHBondContact O-N 3.05Å; A220-L222 VanDerWaalsContact O-N 3.07Å |
| 221 | K | 87.7 | Confident | 88 | Confident | 184 Ų | 184 | 63.8 Ų | 63.8 | 80% | 0.8 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 34.8 | -177.1 | -61.8 | -178.7 | 179.9 | 177 | 0 | 113.8 | F217 N218 K219 | F217-K221 PolarHBondContact O-N 3.17Å; N218-K221 PolarHBondContact O-N 2.83Å; K219-K221 VanDerWaalsContact C-N 3.25Å; K219-K221 PolarHBondContact O-N 3.04Å |
| 222 | L | 86.4 | Confident | 88.3 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | trans | -62.8 | 146.9 | -176.3 | -72.4 | 172 | 0 | 0 | 0 | 111.9 | F217 A220 I226 R227 | F217-L222 HydrophobicContact CB-CD1 4.39Å; F217-L222 HydrophobicContact CD1-CD1 3.53Å; F217-L222 HydrophobicContact CE1-CD1 4.2Å; F217-L222 HydrophobicContact CG-CD1 4.22Å; F217-L222 PolarHBondContact O-N 3.39Å; F217-L222 VanDerWaalsContact O-N 3.15Å; A220-L222 HydrophobicContact CB-CD1 4.35Å; A220-L222 HydrophobicContact CB-CG 3.94Å; A220-L222 PolarHBondContact O-N 3.05Å; A220-L222 VanDerWaalsContact O-N 3.07Å; L222-I226 HydrophobicContact CD1-CG2 4.46Å; L222-I226 HydrophobicContact CD2-CG2 4.46Å; L222-R227 HydrophobicContact CB-CG 4.1Å; L222-R227 PolarHBondContact O-NE 2.86Å; L222-R227 PolarHBondContact O-NH2 3.26Å; L222-R227 VanDerWaalsContact O-NH2 3.07Å | ||
| 223 | A | 88.5 | Confident | 88.5 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | trans | -60.8 | 145 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S225 I226 R227 | A223-S225 VanDerWaalsContact C-N 3.26Å; A223-S225 PolarHBondContact O-N 3.44Å; A223-I226 HydrophobicContact CB-CD1 4.32Å; A223-I226 HydrophobicContact CB-CG1 4.44Å; A223-I226 PolarHBondContact O-N 3.24Å; A223-I226 VanDerWaalsContact O-N 3.1Å; A223-R227 WeakPolarHBondContact O-CG 3.25Å; A223-R227 PolarHBondContact O-N 3.45Å | ||
| 224 | L | 84.6 | Confident | 88.7 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.5 | -37.3 | -175 | -172.1 | 68.9 | 0 | 0 | 0 | 113.3 | L7 R8 C11 R227 A228 | L7-L224 HydrophobicContact CB-CD2 4.07Å; L7-L224 HydrophobicContact CB-CG 4.46Å; R8-L224 HydrophobicContact CG-CD2 3.97Å; C11-L224 HydrophobicContact CB-CD1 3.62Å; L224-R227 PolarHBondContact O-N 3.14Å; L224-A228 PolarHBondContact O-N 3.36Å; L224-A228 VanDerWaalsContact O-N 3.07Å |
| 225 | S | 86.4 | Confident | 89 | Confident | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.4 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | A223 R227 A228 I229 | A223-S225 VanDerWaalsContact C-N 3.26Å; A223-S225 PolarHBondContact O-N 3.44Å; S225-R227 VanDerWaalsContact C-N 3.34Å; S225-R227 PolarHBondContact O-N 2.76Å; S225-A228 PolarHBondContact O-N 3.44Å; S225-I229 VanDerWaalsContact O-CG1 3.32Å; S225-I229 WeakPolarHBondContact O-CG1 3.32Å; S225-I229 PolarHBondContact O-N 3.21Å |
| 226 | I | 88.5 | Confident | 89.4 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.6 | -59.8 | 175.9 | 0 | 0 | 0 | 110.1 | L222 A223 A228 I229 V230 | L222-I226 HydrophobicContact CD1-CG2 4.46Å; L222-I226 HydrophobicContact CD2-CG2 4.46Å; A223-I226 HydrophobicContact CB-CD1 4.32Å; A223-I226 HydrophobicContact CB-CG1 4.44Å; A223-I226 PolarHBondContact O-N 3.24Å; A223-I226 VanDerWaalsContact O-N 3.1Å; I226-A228 VanDerWaalsContact C-N 3.32Å; I226-A228 PolarHBondContact O-N 2.87Å; I226-I229 PolarHBondContact O-N 3.23Å; I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CG2 3.48Å; I226-V230 PolarHBondContact O-N 2.86Å |
| 227 | R | 88.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 177.1 | -58.7 | -176.7 | -169.3 | -159.6 | -6.1 | 112.1 | C11 F217 N218 L222 A223 L224 S225 V230 L231 | C11-R227 HydrophobicContact CB-CB 4.05Å; C11-R227 WeakPolarHBondContact O-CD 3.02Å; C11-R227 PolarHBondContact O-NH1 2.89Å; C11-R227 VanDerWaalsContact O-NH1 3.14Å; F217-R227 HydrophobicContact CB-CG 3.76Å; F217-R227 HydrophobicContact CD2-CB 3.64Å; F217-R227 HydrophobicContact CD2-CG 3.61Å; F217-R227 HydrophobicContact CE2-CB 3.98Å; F217-R227 HydrophobicContact CE2-CG 4.37Å; F217-R227 HydrophobicContact CG-CB 4.26Å; F217-R227 HydrophobicContact CG-CG 3.74Å; F217-R227 PolarHBondContact O-NH2 3.47Å; N218-R227 PolarHBondContact OD1-NH1 3.25Å; L222-R227 HydrophobicContact CB-CG 4.1Å; L222-R227 PolarHBondContact O-NE 2.86Å; L222-R227 PolarHBondContact O-NH2 3.26Å; L222-R227 VanDerWaalsContact O-NH2 3.07Å; A223-R227 WeakPolarHBondContact O-CG 3.25Å; A223-R227 PolarHBondContact O-N 3.45Å; L224-R227 PolarHBondContact O-N 3.14Å; S225-R227 VanDerWaalsContact C-N 3.34Å; S225-R227 PolarHBondContact O-N 2.76Å; R227-V230 PolarHBondContact O-N 3.02Å; R227-L231 WeakPolarHBondContact O-CG 3.5Å; R227-L231 PolarHBondContact O-N 2.92Å |
| 228 | A | 88.1 | Confident | 90 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 21% | 0.207 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L7 L224 S225 I226 L231 F232 | L7-A228 HydrophobicContact CD2-CB 3.47Å; L7-A228 VanDerWaalsContact CD2-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.36Å; L224-A228 VanDerWaalsContact O-N 3.07Å; S225-A228 PolarHBondContact O-N 3.44Å; I226-A228 VanDerWaalsContact C-N 3.32Å; I226-A228 PolarHBondContact O-N 2.87Å; A228-L231 PolarHBondContact O-N 3.47Å; A228-F232 WeakPolarHBondContact O-CB 3.34Å; A228-F232 PolarHBondContact O-N 2.95Å |
| 229 | I | 91.9 | Very high | 90.4 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 177 | -68.4 | 166.9 | 0 | 0 | 0 | 110.3 | S225 I226 L231 F232 Y233 | S225-I229 VanDerWaalsContact O-CG1 3.32Å; S225-I229 WeakPolarHBondContact O-CG1 3.32Å; S225-I229 PolarHBondContact O-N 3.21Å; I226-I229 PolarHBondContact O-N 3.23Å; I229-L231 PolarHBondContact O-N 2.85Å; I229-F232 WeakPolarHBondContact O-CB 3.34Å; I229-F232 PolarHBondContact O-N 2.88Å; I229-Y233 HydrophobicContact CG2-CD2 3.74Å; I229-Y233 HydrophobicContact CG2-CE2 3.52Å; I229-Y233 WeakPolarHBondContact O-CD2 3.49Å; I229-Y233 PolarHBondContact O-N 3.39Å |
| 230 | V | 90.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | F217 I226 R227 F232 Y233 I234 | F217-V230 HydrophobicContact CE1-CB 4.08Å; F217-V230 HydrophobicContact CE1-CG1 3.85Å; F217-V230 HydrophobicContact CE1-CG2 4.46Å; F217-V230 HydrophobicContact CZ-CB 3.58Å; F217-V230 HydrophobicContact CZ-CG1 3.47Å; F217-V230 VanDerWaalsContact CZ-CG1 3.47Å; F217-V230 HydrophobicContact CZ-CG2 4.41Å; I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CG2 3.48Å; I226-V230 PolarHBondContact O-N 2.86Å; R227-V230 PolarHBondContact O-N 3.02Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.12Å; V230-Y233 PolarHBondContact O-N 3.17Å; V230-I234 HydrophobicContact CG1-CD1 3.94Å; V230-I234 HydrophobicContact CG1-CG1 4.49Å; V230-I234 WeakPolarHBondContact O-CG1 3.5Å; V230-I234 PolarHBondContact O-N 2.54Å |
| 231 | L | 90.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.6 | -72.5 | 173.3 | 0 | 0 | 0 | 112.1 | C11 F217 R227 A228 I229 Y233 I234 I235 | C11-L231 HydrophobicContact CB-CD1 4.41Å; F217-L231 HydrophobicContact CE2-CD1 4.36Å; F217-L231 HydrophobicContact CE2-CD2 4.08Å; F217-L231 HydrophobicContact CE2-CG 3.86Å; R227-L231 WeakPolarHBondContact O-CG 3.5Å; R227-L231 PolarHBondContact O-N 2.92Å; A228-L231 PolarHBondContact O-N 3.47Å; I229-L231 PolarHBondContact O-N 2.85Å; L231-Y233 VanDerWaalsContact C-N 3.32Å; L231-Y233 PolarHBondContact O-N 3.32Å; L231-I234 PolarHBondContact O-N 3.44Å; L231-I235 VanDerWaalsContact O-CG1 3.31Å; L231-I235 WeakPolarHBondContact O-CG1 3.42Å; L231-I235 PolarHBondContact O-N 3.44Å |
| 232 | F | 91.8 | Very high | 91.3 | Very high | 130 Ų | 130 | 66.3 Ų | 66.3 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 175.6 | 174.4 | -98.5 | 0 | 0 | 0 | 111.4 | A228 I229 V230 I234 I235 T236 | A228-F232 WeakPolarHBondContact O-CB 3.34Å; A228-F232 PolarHBondContact O-N 2.95Å; I229-F232 WeakPolarHBondContact O-CB 3.34Å; I229-F232 PolarHBondContact O-N 2.88Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.12Å; F232-I234 PolarHBondContact O-N 3.5Å; F232-I235 PolarHBondContact O-N 3.02Å; F232-T236 VanDerWaalsContact O-CB 3.28Å; F232-T236 WeakPolarHBondContact O-CB 3.38Å; F232-T236 PolarHBondContact O-N 3.44Å; F232-T236 PolarHBondContact O-OG1 3.42Å |
| 233 | Y | 94.3 | Very high | 91.6 | Very high | 160 Ų | 160 | 68 Ų | 68 | 63% | 0.627 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 176.4 | -81.5 | -68.3 | 0 | 0 | 0 | 112.8 | I229 V230 L231 T236 A237 | I229-Y233 HydrophobicContact CG2-CD2 3.74Å; I229-Y233 HydrophobicContact CG2-CE2 3.52Å; I229-Y233 WeakPolarHBondContact O-CD2 3.49Å; I229-Y233 PolarHBondContact O-N 3.39Å; V230-Y233 PolarHBondContact O-N 3.17Å; L231-Y233 VanDerWaalsContact C-N 3.32Å; L231-Y233 PolarHBondContact O-N 3.32Å; Y233-T236 PolarHBondContact O-N 3.18Å; Y233-A237 VanDerWaalsContact O-CB 3.25Å; Y233-A237 WeakPolarHBondContact O-CB 3.13Å; Y233-A237 PolarHBondContact O-N 3.12Å |
| 234 | I | 92.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 179 | -70.5 | 171.6 | 0 | 0 | 0 | 111.3 | M209 S213 V230 L231 F232 T236 A237 I238 | M209-I234 HydrophobicContact CB-CG2 3.87Å; S213-I234 WeakPolarHBondContact OG-CD1 3.42Å; V230-I234 HydrophobicContact CG1-CD1 3.94Å; V230-I234 HydrophobicContact CG1-CG1 4.49Å; V230-I234 WeakPolarHBondContact O-CG1 3.5Å; V230-I234 PolarHBondContact O-N 2.54Å; L231-I234 PolarHBondContact O-N 3.44Å; F232-I234 PolarHBondContact O-N 3.5Å; I234-T236 VanDerWaalsContact C-N 3.31Å; I234-T236 PolarHBondContact O-N 2.8Å; I234-A237 PolarHBondContact O-N 3.28Å; I234-I238 HydrophobicContact CG2-CD1 3.84Å; I234-I238 WeakPolarHBondContact O-CG1 3.47Å; I234-I238 PolarHBondContact O-N 2.84Å |
| 235 | I | 91.8 | Very high | 92.4 | Very high | 83 Ų | 83 | 71.2 Ų | 71.2 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 178.3 | -67.9 | 167.8 | 0 | 0 | 0 | 109.8 | L206 L231 F232 I238 A239 | L206-I235 HydrophobicContact CD2-CB 4.47Å; L206-I235 HydrophobicContact CD2-CG1 4.17Å; L206-I235 HydrophobicContact CD2-CG2 4.44Å; L231-I235 VanDerWaalsContact O-CG1 3.31Å; L231-I235 WeakPolarHBondContact O-CG1 3.42Å; L231-I235 PolarHBondContact O-N 3.44Å; F232-I235 PolarHBondContact O-N 3.02Å; I235-I238 PolarHBondContact O-N 2.91Å; I235-A239 WeakPolarHBondContact O-CB 3.09Å; I235-A239 PolarHBondContact O-N 3.49Å |
| 236 | T | 94.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | F232 Y233 I234 A239 F240 | F232-T236 VanDerWaalsContact O-CB 3.28Å; F232-T236 WeakPolarHBondContact O-CB 3.38Å; F232-T236 PolarHBondContact O-N 3.44Å; F232-T236 PolarHBondContact O-OG1 3.42Å; Y233-T236 PolarHBondContact O-N 3.18Å; I234-T236 VanDerWaalsContact C-N 3.31Å; I234-T236 PolarHBondContact O-N 2.8Å; T236-A239 PolarHBondContact O-N 2.85Å; T236-F240 WeakPolarHBondContact O-CB 3.39Å; T236-F240 PolarHBondContact O-N 3.19Å |
| 237 | A | 95.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y233 I234 F240 L241 | Y233-A237 VanDerWaalsContact O-CB 3.25Å; Y233-A237 WeakPolarHBondContact O-CB 3.13Å; Y233-A237 PolarHBondContact O-N 3.12Å; I234-A237 PolarHBondContact O-N 3.28Å; A237-F240 PolarHBondContact O-N 3.34Å; A237-L241 WeakPolarHBondContact O-CB 3.44Å; A237-L241 PolarHBondContact O-N 2.81Å |
| 238 | I | 94.7 | Very high | 93.1 | Very high | 16 Ų | 16 | 73.9 Ų | 73.9 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.4 | -65.5 | 165.3 | 0 | 0 | 0 | 111 | T202 L205 L206 M209 I234 I235 L241 Y242 | T202-I238 HydrophobicContact CG2-CG2 3.71Å; L205-I238 HydrophobicContact CD2-CD1 4.39Å; L205-I238 HydrophobicContact CD2-CG1 4.11Å; L205-I238 HydrophobicContact CD2-CG2 4.23Å; L205-I238 HydrophobicContact CG-CD1 4.12Å; L205-I238 HydrophobicContact CG-CG1 4.39Å; L206-I238 HydrophobicContact CD1-CG2 4.44Å; L206-I238 HydrophobicContact CD2-CB 4.03Å; L206-I238 HydrophobicContact CD2-CD1 3.79Å; L206-I238 HydrophobicContact CD2-CG2 3.99Å; L206-I238 HydrophobicContact CG-CB 4.4Å; L206-I238 HydrophobicContact CG-CD1 4.2Å; L206-I238 HydrophobicContact CG-CG2 3.81Å; M209-I238 HydrophobicContact CB-CD1 4.11Å; M209-I238 HydrophobicContact CG-CD1 4.11Å; I234-I238 HydrophobicContact CG2-CD1 3.84Å; I234-I238 WeakPolarHBondContact O-CG1 3.47Å; I234-I238 PolarHBondContact O-N 2.84Å; I235-I238 PolarHBondContact O-N 2.91Å; I238-L241 PolarHBondContact O-N 3.1Å; I238-Y242 WeakPolarHBondContact O-CB 3.38Å; I238-Y242 PolarHBondContact O-N 3.05Å |
| 239 | A | 92.7 | Very high | 93.4 | Very high | 45 Ų | 45 | 73.7 Ų | 73.7 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I235 T236 Y242 L243 | I235-A239 WeakPolarHBondContact O-CB 3.09Å; I235-A239 PolarHBondContact O-N 3.49Å; T236-A239 PolarHBondContact O-N 2.85Å; A239-Y242 WeakPolarHBondContact O-CB 3.44Å; A239-Y242 PolarHBondContact O-N 3.09Å; A239-L243 WeakPolarHBondContact O-CG 3.26Å; A239-L243 PolarHBondContact O-N 3.39Å |
| 240 | F | 94.3 | Very high | 93.4 | Very high | 144 Ų | 144 | 72.9 Ų | 72.9 | 63% | 0.632 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 175.6 | -173.7 | -95.5 | 0 | 0 | 0 | 111.5 | T236 A237 Y242 L243 F244 | T236-F240 WeakPolarHBondContact O-CB 3.39Å; T236-F240 PolarHBondContact O-N 3.19Å; A237-F240 PolarHBondContact O-N 3.34Å; F240-Y242 VanDerWaalsContact C-N 3.33Å; F240-Y242 PolarHBondContact O-N 2.66Å; F240-L243 PolarHBondContact O-N 3.11Å; F240-F244 VanDerWaalsContact O-CB 3.29Å; F240-F244 WeakPolarHBondContact O-CB 3.44Å; F240-F244 PolarHBondContact O-N 3.41Å |
| 241 | L | 95.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 44% | 0.44 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.7 | -179.4 | 61.9 | 0 | 0 | 0 | 111.6 | A237 I238 F244 I245 | A237-L241 WeakPolarHBondContact O-CB 3.44Å; A237-L241 PolarHBondContact O-N 2.81Å; I238-L241 PolarHBondContact O-N 3.1Å; L241-F244 PolarHBondContact O-N 3.07Å; L241-I245 HydrophobicContact CD1-CD1 4.05Å; L241-I245 HydrophobicContact CD1-CG1 4.28Å; L241-I245 HydrophobicContact CG-CD1 3.96Å; L241-I245 VanDerWaalsContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG1 3.36Å; L241-I245 PolarHBondContact O-N 3.19Å |
| 242 | Y | 94.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 75.4 Ų | 75.4 | 21% | 0.208 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 175.8 | 174.1 | -101.7 | 0 | 0 | 0 | 112.2 | L198 T199 T202 I238 A239 F240 F244 I245 L246 | L198-Y242 HydrophobicContact CB-CE2 4.42Å; L198-Y242 HydrophobicContact CD1-CD2 4.45Å; L198-Y242 HydrophobicContact CD2-CD2 3.9Å; L198-Y242 HydrophobicContact CD2-CE2 3.84Å; L198-Y242 HydrophobicContact CG-CD2 3.72Å; L198-Y242 HydrophobicContact CG-CE2 3.72Å; T199-Y242 PolarHBondContact OG1-OH 2.8Å; T199-Y242 VanDerWaalsContact OG1-OH 3.1Å; T202-Y242 HydrophobicContact CG2-CD2 4.13Å; T202-Y242 HydrophobicContact CG2-CG 4.3Å; T202-Y242 VanDerWaalsContact OG1-CD2 3.28Å; T202-Y242 WeakPolarHBondContact OG1-CD2 3.28Å; I238-Y242 WeakPolarHBondContact O-CB 3.38Å; I238-Y242 PolarHBondContact O-N 3.05Å; A239-Y242 WeakPolarHBondContact O-CB 3.44Å; A239-Y242 PolarHBondContact O-N 3.09Å; F240-Y242 VanDerWaalsContact C-N 3.33Å; F240-Y242 PolarHBondContact O-N 2.66Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 3.21Å; Y242-I245 PolarHBondContact O-N 2.94Å; Y242-L246 HydrophobicContact CD1-CD1 4.01Å; Y242-L246 HydrophobicContact CE1-CD1 3.38Å; Y242-L246 HydrophobicContact CE1-CG 4.32Å; Y242-L246 HydrophobicContact CE2-CD1 4.24Å; Y242-L246 HydrophobicContact CE2-CG 4.45Å; Y242-L246 WeakPolarHBondContact O-CG 3.26Å; Y242-L246 PolarHBondContact O-N 2.89Å |
| 243 | L | 93.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 178.4 | -68.6 | 175.1 | 0 | 0 | 0 | 112.1 | A239 F240 L246 Q247 | A239-L243 WeakPolarHBondContact O-CG 3.26Å; A239-L243 PolarHBondContact O-N 3.39Å; F240-L243 PolarHBondContact O-N 3.11Å; L243-L246 PolarHBondContact O-N 2.85Å; L243-Q247 WeakPolarHBondContact O-CB 3.48Å; L243-Q247 PolarHBondContact O-N 2.92Å |
| 244 | F | 94 | Very high | 93.6 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176.5 | 179.2 | -95.9 | 0 | 0 | 0 | 111.6 | F240 L241 Y242 L246 Q247 Y248 | F240-F244 VanDerWaalsContact O-CB 3.29Å; F240-F244 WeakPolarHBondContact O-CB 3.44Å; F240-F244 PolarHBondContact O-N 3.41Å; L241-F244 PolarHBondContact O-N 3.07Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 3.21Å; F244-L246 PolarHBondContact O-N 3.49Å; F244-Q247 PolarHBondContact O-N 2.96Å; F244-Y248 WeakPolarHBondContact O-CB 3.31Å; F244-Y248 PolarHBondContact O-N 3.35Å |
| 245 | I | 94.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 36% | 0.359 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.5 | -66.8 | 166.1 | 0 | 0 | 0 | 110.6 | L198 L241 Y242 Q247 Y248 G249 | L198-I245 HydrophobicContact CD1-CB 4.36Å; L198-I245 HydrophobicContact CD1-CD1 3.96Å; L198-I245 HydrophobicContact CD1-CG2 3.89Å; L198-I245 HydrophobicContact CD2-CB 4.11Å; L198-I245 HydrophobicContact CD2-CG2 3.65Å; L198-I245 HydrophobicContact CG-CG2 4.43Å; L241-I245 HydrophobicContact CD1-CD1 4.05Å; L241-I245 HydrophobicContact CD1-CG1 4.28Å; L241-I245 HydrophobicContact CG-CD1 3.96Å; L241-I245 VanDerWaalsContact O-CG1 3.28Å; L241-I245 WeakPolarHBondContact O-CG1 3.36Å; L241-I245 PolarHBondContact O-N 3.19Å; Y242-I245 PolarHBondContact O-N 2.94Å; I245-Q247 VanDerWaalsContact C-N 3.35Å; I245-Q247 PolarHBondContact O-N 3.42Å; I245-Y248 PolarHBondContact O-N 2.81Å; I245-G249 PolarHBondContact O-N 3.49Å |
| 246 | L | 93.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 175.9 | -76.7 | 180 | 0 | 0 | 0 | 111.6 | I195 L198 Y242 L243 F244 G249 K250 L311 | I195-L246 HydrophobicContact CG1-CD2 4.03Å; L198-L246 HydrophobicContact CD2-CD2 3.72Å; L198-L246 HydrophobicContact CD2-CG 3.85Å; Y242-L246 HydrophobicContact CD1-CD1 4.01Å; Y242-L246 HydrophobicContact CE1-CD1 3.38Å; Y242-L246 HydrophobicContact CE1-CG 4.32Å; Y242-L246 HydrophobicContact CE2-CD1 4.24Å; Y242-L246 HydrophobicContact CE2-CG 4.45Å; Y242-L246 WeakPolarHBondContact O-CG 3.26Å; Y242-L246 PolarHBondContact O-N 2.89Å; L243-L246 PolarHBondContact O-N 2.85Å; F244-L246 PolarHBondContact O-N 3.49Å; L246-G249 PolarHBondContact O-N 2.68Å; L246-K250 WeakPolarHBondContact O-CB 3.32Å; L246-K250 PolarHBondContact O-N 3.1Å; L246-L311 HydrophobicContact CB-CD1 3.83Å; L246-L311 HydrophobicContact CB-CD2 3.85Å; L246-L311 HydrophobicContact CB-CG 4.48Å; L246-L311 WeakPolarHBondContact O-CD2 3.41Å |
| 247 | Q | 93.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 179.8 | 175.6 | -177.3 | -17.9 | 0 | 0 | 111 | L243 F244 I245 G249 K250 Q251 L311 P312 | L243-Q247 WeakPolarHBondContact O-CB 3.48Å; L243-Q247 PolarHBondContact O-N 2.92Å; F244-Q247 PolarHBondContact O-N 2.96Å; I245-Q247 VanDerWaalsContact C-N 3.35Å; I245-Q247 PolarHBondContact O-N 3.42Å; Q247-G249 VanDerWaalsContact C-N 3.34Å; Q247-G249 PolarHBondContact O-N 2.9Å; Q247-K250 PolarHBondContact O-N 3.3Å; Q247-Q251 WeakPolarHBondContact O-CG 3.41Å; Q247-Q251 PolarHBondContact O-N 3.49Å; Q247-L311 HydrophobicContact CB-CD1 4.17Å; Q247-L311 HydrophobicContact CB-CG 4.3Å; Q247-P312 VanDerWaalsContact CD-CG 3.41Å; Q247-P312 HydrophobicContact CG-CB 3.98Å; Q247-P312 HydrophobicContact CG-CG 3.91Å |
| 248 | Y | 93.4 | Very high | 93.6 | Very high | 143 Ų | 143 | 57.1 Ų | 57.1 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 178.7 | -176.1 | -98.8 | 0 | 0 | 0 | 111.1 | F244 I245 K250 Q251 Y252 | F244-Y248 WeakPolarHBondContact O-CB 3.31Å; F244-Y248 PolarHBondContact O-N 3.35Å; I245-Y248 PolarHBondContact O-N 2.81Å; Y248-K250 VanDerWaalsContact C-N 3.31Å; Y248-K250 PolarHBondContact O-N 3.4Å; Y248-Q251 PolarHBondContact O-N 3.04Å; Y248-Y252 VanDerWaalsContact O-CB 3.24Å; Y248-Y252 WeakPolarHBondContact O-CB 3.24Å; Y248-Y252 PolarHBondContact O-N 3.34Å |
| 249 | G | 93 | Very high | 93.6 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I245 L246 Q247 T253 | I245-G249 PolarHBondContact O-N 3.49Å; L246-G249 PolarHBondContact O-N 2.68Å; Q247-G249 VanDerWaalsContact C-N 3.34Å; Q247-G249 PolarHBondContact O-N 2.9Å; G249-T253 VanDerWaalsContact O-CB 3.29Å; G249-T253 WeakPolarHBondContact O-CB 3.42Å; G249-T253 PolarHBondContact O-N 3.01Å; G249-T253 PolarHBondContact O-OG1 2.89Å |
| 250 | K | 92.1 | Very high | 93.5 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 174.8 | -179.1 | 179.2 | 169.2 | -171.7 | 0 | 111.8 | L246 Q247 Y248 T253 E254 L311 | L246-K250 WeakPolarHBondContact O-CB 3.32Å; L246-K250 PolarHBondContact O-N 3.1Å; Q247-K250 PolarHBondContact O-N 3.3Å; Y248-K250 VanDerWaalsContact C-N 3.31Å; Y248-K250 PolarHBondContact O-N 3.4Å; K250-T253 PolarHBondContact O-N 2.82Å; K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.5Å; K250-L311 HydrophobicContact CB-CD2 4.03Å; K250-L311 HydrophobicContact CD-CB 4.47Å; K250-L311 HydrophobicContact CD-CD2 3.95Å; K250-L311 HydrophobicContact CD-CG 4.46Å; K250-L311 PolarHBondContact NZ-O 3.4Å |
| 251 | Q | 93.7 | Very high | 93.5 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 178.7 | -72.6 | -179 | -23.9 | 0 | 0 | 111.4 | Q247 Y248 T253 E254 E255 G313 M314 | Q247-Q251 WeakPolarHBondContact O-CG 3.41Å; Q247-Q251 PolarHBondContact O-N 3.49Å; Y248-Q251 PolarHBondContact O-N 3.04Å; Q251-T253 VanDerWaalsContact C-N 3.34Å; Q251-T253 PolarHBondContact O-N 3.49Å; Q251-E254 PolarHBondContact O-N 3.1Å; Q251-E255 WeakPolarHBondContact O-CB 3.41Å; Q251-E255 PolarHBondContact O-N 3.42Å; Q251-G313 PolarHBondContact NE2-O 2.94Å; Q251-M314 HydrophobicContact CB-CG 4.3Å; Q251-M314 HydrophobicContact CG-CG 4.33Å |
| 252 | Y | 92.6 | Very high | 93.6 | Very high | 58 Ų | 58 | 47 Ų | 47 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -48.5 | 174.3 | 176.9 | -99.5 | 0 | 0 | 0 | 111 | I189 Y248 E254 E255 T256 Y339 | I189-Y252 HydrophobicContact CD1-CD1 4.14Å; Y248-Y252 VanDerWaalsContact O-CB 3.24Å; Y248-Y252 WeakPolarHBondContact O-CB 3.24Å; Y248-Y252 PolarHBondContact O-N 3.34Å; Y252-E254 VanDerWaalsContact C-N 3.32Å; Y252-E254 PolarHBondContact O-N 3.43Å; Y252-E255 PolarHBondContact O-N 3.25Å; Y252-T256 WeakPolarHBondContact O-CB 3.27Å; Y252-T256 PolarHBondContact O-N 3.28Å; Y252-T256 PolarHBondContact O-OG1 3.41Å; Y252-Y339 HydrophobicContact CE1-CD2 4.42Å; Y252-Y339 WeakPolarHBondContact OH-CD2 3.46Å; Y252-Y339 WeakPolarHBondContact OH-CE2 3.35Å |
| 253 | T | 92.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 10% | 0.104 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | S185 C188 G249 K250 Q251 A257 | S185-T253 WeakPolarHBondContact OG-CG2 3.41Å; C188-T253 HydrophobicContact CB-CG2 4.2Å; G249-T253 VanDerWaalsContact O-CB 3.29Å; G249-T253 WeakPolarHBondContact O-CB 3.42Å; G249-T253 PolarHBondContact O-N 3.01Å; G249-T253 PolarHBondContact O-OG1 2.89Å; K250-T253 PolarHBondContact O-N 2.82Å; Q251-T253 VanDerWaalsContact C-N 3.34Å; Q251-T253 PolarHBondContact O-N 3.49Å; T253-A257 WeakPolarHBondContact O-CB 3.48Å; T253-A257 PolarHBondContact O-N 3.34Å |
| 254 | E | 93.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -51.8 | 176.4 | -75.4 | 172.6 | 179.7 | 0 | 0 | 111 | K250 Q251 Y252 T256 A257 N258 G313 M314 | K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.5Å; Q251-E254 PolarHBondContact O-N 3.1Å; Y252-E254 VanDerWaalsContact C-N 3.32Å; Y252-E254 PolarHBondContact O-N 3.43Å; E254-T256 PolarHBondContact O-N 3.1Å; E254-A257 PolarHBondContact O-N 3.29Å; E254-N258 WeakPolarHBondContact O-CB 3.44Å; E254-N258 PolarHBondContact O-N 3.27Å; E254-N258 PolarHBondContact O-ND2 3.38Å; E254-G313 VanDerWaalsContact OE2-CA 3.28Å; E254-G313 WeakPolarHBondContact OE2-CA 3.22Å; E254-M314 HydrophobicContact CB-CG 4.33Å; E254-M314 PolarHBondContact OE2-N 2.99Å |
| 255 | E | 93.7 | Very high | 93.3 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.7 | -53.2 | 177.2 | 175.1 | 171.9 | 179.1 | 0 | 0 | 111.4 | Q251 Y252 A257 N258 R259 M314 M322 | Q251-E255 WeakPolarHBondContact O-CB 3.41Å; Q251-E255 PolarHBondContact O-N 3.42Å; Y252-E255 PolarHBondContact O-N 3.25Å; E255-A257 VanDerWaalsContact C-N 3.31Å; E255-A257 PolarHBondContact O-N 2.84Å; E255-N258 PolarHBondContact O-N 3.08Å; E255-N258 VanDerWaalsContact O-N 3.15Å; E255-R259 HydrophobicContact CG-CG 4.32Å; E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.94Å; E255-R259 IonicContact OE1-NH1 3.27Å; E255-R259 PolarHBondContact OE1-NH1 2.9Å; E255-M314 HydrophobicContact CB-SD 3.73Å; E255-M322 HydrophobicContact CB-CE 4.24Å; E255-M322 HydrophobicContact CG-CE 3.72Å |
| 256 | T | 91.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | -178.6 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | C188 Y252 E254 G260 F336 | C188-T256 HydrophobicContact CB-CG2 4.41Å; Y252-T256 WeakPolarHBondContact O-CB 3.27Å; Y252-T256 PolarHBondContact O-N 3.28Å; Y252-T256 PolarHBondContact O-OG1 3.41Å; E254-T256 PolarHBondContact O-N 3.1Å; T256-G260 PolarHBondContact O-N 2.8Å; T256-F336 HydrophobicContact CG2-CD1 3.16Å; T256-F336 HydrophobicContact CG2-CE1 2.95Å; T256-F336 HydrophobicContact CG2-CG 4.25Å; T256-F336 HydrophobicContact CG2-CZ 3.87Å; T256-F336 WeakPolarHBondContact O-CZ 3.22Å |
| 257 | A | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R181 H184 T253 E254 E255 A261 | R181-A257 HydrophobicContact CG-CB 3.95Å; R181-A257 WeakPolarHBondContact O-CB 3.4Å; H184-A257 HydrophobicContact CB-CB 4.26Å; T253-A257 WeakPolarHBondContact O-CB 3.48Å; T253-A257 PolarHBondContact O-N 3.34Å; E254-A257 PolarHBondContact O-N 3.29Å; E255-A257 VanDerWaalsContact C-N 3.31Å; E255-A257 PolarHBondContact O-N 2.84Å; A257-A261 WeakPolarHBondContact O-CB 3.28Å; A257-A261 PolarHBondContact O-N 2.79Å; A257-A261 VanDerWaalsContact O-N 3.1Å |
| 258 | N | 95.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -50.6 | 177.9 | -82.9 | -84.9 | 0 | 0 | 0 | 111.2 | F177 E254 E255 G260 A261 M262 Y276 M322 | F177-N258 VanDerWaalsContact CZ-OD1 3.29Å; F177-N258 WeakPolarHBondContact CZ-OD1 3.34Å; E254-N258 WeakPolarHBondContact O-CB 3.44Å; E254-N258 PolarHBondContact O-N 3.27Å; E254-N258 PolarHBondContact O-ND2 3.38Å; E255-N258 PolarHBondContact O-N 3.08Å; E255-N258 VanDerWaalsContact O-N 3.15Å; N258-G260 VanDerWaalsContact C-N 3.34Å; N258-G260 PolarHBondContact O-N 3.33Å; N258-A261 PolarHBondContact O-N 2.82Å; N258-M262 HydrophobicContact CB-CE 4.23Å; N258-M262 WeakPolarHBondContact O-CB 3.44Å; N258-M262 VanDerWaalsContact O-CG 3.29Å; N258-M262 WeakPolarHBondContact O-CG 3.35Å; N258-M262 PolarHBondContact O-N 3.29Å; N258-Y276 PolarHBondContact ND2-OH 2.79Å; N258-Y276 WeakPolarHBondContact OD1-CE2 3.28Å; N258-Y276 PolarHBondContact OD1-OH 3.16Å; N258-M322 HydrophobicContact CB-SD 4.21Å |
| 259 | R | 94.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 26% | 0.26 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 179.3 | -67.9 | 177.8 | 69.4 | 161.4 | 4.5 | 111.3 | E255 A261 M262 A263 M322 F326 D332 | E255-R259 HydrophobicContact CG-CG 4.32Å; E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.94Å; E255-R259 IonicContact OE1-NH1 3.27Å; E255-R259 PolarHBondContact OE1-NH1 2.9Å; R259-A261 PolarHBondContact O-N 3.34Å; R259-M262 PolarHBondContact O-N 2.83Å; R259-A263 VanDerWaalsContact O-CB 3.26Å; R259-A263 WeakPolarHBondContact O-CB 3.28Å; R259-A263 PolarHBondContact O-N 2.91Å; R259-M322 HydrophobicContact CG-SD 4.02Å; R259-F326 HydrophobicContact CB-CE2 3.94Å; R259-F326 HydrophobicContact CB-CZ 4.5Å; R259-F326 HydrophobicContact CG-CD2 4.36Å; R259-F326 HydrophobicContact CG-CE2 3.9Å; R259-D332 IonicContact CZ-OD1 3.87Å; R259-D332 IonicContact CZ-OD2 2.7Å; R259-D332 IonicContact NE-OD1 2.66Å; R259-D332 PolarHBondContact NE-OD1 2.91Å; R259-D332 IonicContact NE-OD2 3.66Å; R259-D332 VanDerWaalsContact NH2-CG 3.31Å; R259-D332 IonicContact NH2-OD1 3.53Å; R259-D332 PolarHBondContact NH2-OD1 3.24Å; R259-D332 IonicContact NH2-OD2 2.83Å; R259-D332 PolarHBondContact NH2-OD2 3.07Å |
| 260 | G | 91.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | T256 N258 | T256-G260 PolarHBondContact O-N 2.8Å; N258-G260 VanDerWaalsContact C-N 3.34Å; N258-G260 PolarHBondContact O-N 3.33Å |
| 261 | A | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.7 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F177 Q180 R181 A257 N258 R259 A263 L264 Y268 | F177-A261 HydrophobicContact CD2-CB 3.83Å; F177-A261 HydrophobicContact CE2-CB 3.87Å; Q180-A261 HydrophobicContact CB-CB 3.82Å; R181-A261 HydrophobicContact CB-CB 4.24Å; A257-A261 WeakPolarHBondContact O-CB 3.28Å; A257-A261 PolarHBondContact O-N 2.79Å; A257-A261 VanDerWaalsContact O-N 3.1Å; N258-A261 PolarHBondContact O-N 2.82Å; R259-A261 PolarHBondContact O-N 3.34Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 2.97Å; A261-L264 VanDerWaalsContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CB 3.29Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.08Å; A261-Y268 WeakPolarHBondContact O-CB 3.33Å |
| 262 | M | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.8 | -30.1 | 179.6 | -66.4 | -176 | -59.9 | 0 | 0 | 112.8 | F177 N258 R259 L264 G265 A272 M322 A323 F326 | F177-M262 HydrophobicContact CD2-CG 4.33Å; F177-M262 HydrophobicContact CE2-CG 3.87Å; N258-M262 HydrophobicContact CB-CE 4.23Å; N258-M262 WeakPolarHBondContact O-CB 3.44Å; N258-M262 VanDerWaalsContact O-CG 3.29Å; N258-M262 WeakPolarHBondContact O-CG 3.35Å; N258-M262 PolarHBondContact O-N 3.29Å; R259-M262 PolarHBondContact O-N 2.83Å; M262-L264 PolarHBondContact O-N 3.12Å; M262-L264 VanDerWaalsContact O-N 3.14Å; M262-G265 PolarHBondContact O-N 2.67Å; M262-A272 HydrophobicContact CG-CB 4Å; M262-A272 HydrophobicContact SD-CB 3.79Å; M262-M322 HydrophobicContact CE-CG 4.05Å; M262-M322 HydrophobicContact CE-SD 4.11Å; M262-A323 VanDerWaalsContact SD-CA 3.57Å; M262-A323 HydrophobicContact SD-CB 3.78Å; M262-F326 HydrophobicContact CB-CD1 3.6Å; M262-F326 HydrophobicContact CB-CE1 3.63Å; M262-F326 HydrophobicContact CB-CG 4.14Å; M262-F326 HydrophobicContact CB-CZ 4.2Å; M262-F326 HydrophobicContact CE-CB 4.02Å; M262-F326 HydrophobicContact CE-CD1 4.41Å; M262-F326 HydrophobicContact CE-CD2 3.77Å; M262-F326 HydrophobicContact CE-CE2 4.35Å; M262-F326 HydrophobicContact CE-CG 3.8Å; M262-F326 HydrophobicContact SD-CB 4.26Å; M262-F326 HydrophobicContact SD-CG 4.35Å |
| 263 | A | 92.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R259 A261 G265 F326 D332 | R259-A263 VanDerWaalsContact O-CB 3.26Å; R259-A263 WeakPolarHBondContact O-CB 3.28Å; R259-A263 PolarHBondContact O-N 2.91Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 2.97Å; A263-G265 VanDerWaalsContact C-N 3.27Å; A263-G265 PolarHBondContact O-N 3.21Å; A263-F326 HydrophobicContact CB-CE1 4.36Å; A263-F326 HydrophobicContact CB-CZ 4.1Å; A263-D332 HydrophobicContact CB-CB 4.13Å |
| 264 | L | 91.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.2 | 176.6 | -61.2 | 176.4 | 0 | 0 | 0 | 113.1 | K79 Q180 A261 M262 Y268 | K79-L264 HydrophobicContact CD-CD2 3.47Å; K79-L264 VanDerWaalsContact CD-CD2 3.47Å; Q180-L264 HydrophobicContact CB-CD1 3.87Å; Q180-L264 VanDerWaalsContact CD-CD1 3.42Å; Q180-L264 HydrophobicContact CG-CD1 3.43Å; Q180-L264 VanDerWaalsContact CG-CD1 3.43Å; A261-L264 VanDerWaalsContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CB 3.29Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.08Å; M262-L264 PolarHBondContact O-N 3.12Å; M262-L264 VanDerWaalsContact O-N 3.14Å; L264-Y268 HydrophobicContact CB-CD1 4.5Å; L264-Y268 HydrophobicContact CB-CD2 3.44Å; L264-Y268 VanDerWaalsContact CB-CD2 3.44Å; L264-Y268 HydrophobicContact CB-CE2 3.48Å; L264-Y268 VanDerWaalsContact CB-CE2 3.48Å; L264-Y268 HydrophobicContact CB-CG 3.97Å; L264-Y268 HydrophobicContact CD1-CD1 4.25Å; L264-Y268 HydrophobicContact CD1-CE1 3.99Å; L264-Y268 HydrophobicContact CD1-CE2 4.26Å |
| 265 | G | 92.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 32% | 0.32 | 15% | 0.153 | S | C | . | . | trans | 150.9 | 174.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | M262 A263 D267 Y268 K269 | M262-G265 PolarHBondContact O-N 2.67Å; A263-G265 VanDerWaalsContact C-N 3.27Å; A263-G265 PolarHBondContact O-N 3.21Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.47Å; G265-Y268 PolarHBondContact O-N 3.08Å; G265-K269 PolarHBondContact O-N 2.93Å | ||
| 266 | E | 95.7 | Very high | 95.5 | Very high | 104 Ų | 104 | 26.2 Ų | 26.2 | 49% | 0.486 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.9 | -34.5 | -174.8 | -175.7 | 56.3 | -152.7 | 0 | 0 | 113.2 | Y268 K269 Q270 | E266-Y268 VanDerWaalsContact C-N 3.28Å; E266-Y268 PolarHBondContact O-N 3.45Å; E266-K269 WeakPolarHBondContact O-CB 3.49Å; E266-K269 PolarHBondContact O-N 3.44Å; E266-Q270 WeakPolarHBondContact O-CG 3.18Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.39Å |
| 267 | D | 97 | Very high | 95.8 | Very high | 67 Ų | 67 | 28.4 Ų | 28.4 | 36% | 0.358 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.7 | -77.9 | -13.9 | 0 | 0 | 0 | 112.4 | K173 G265 G271 | K173-D267 HydrophobicContact CD-CB 4.22Å; K173-D267 WeakPolarHBondContact CE-OD1 3.29Å; K173-D267 HydrophobicContact CG-CB 4.32Å; K173-D267 IonicContact NZ-OD1 3.77Å; K173-D267 PolarHBondContact NZ-OD1 3.27Å; G265-D267 VanDerWaalsContact C-N 3.27Å; G265-D267 PolarHBondContact O-N 3.47Å; D267-G271 PolarHBondContact O-N 3.37Å |
| 268 | Y | 96.9 | Very high | 96 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.2 | -36.8 | 178 | -62.9 | -88 | 0 | 0 | 0 | 111.6 | E72 L75 R176 F177 Q180 A261 L264 G265 E266 G271 A272 | E72-Y268 PolarHBondContact OE1-OH 3Å; E72-Y268 VanDerWaalsContact OE1-OH 3.13Å; E72-Y268 WeakPolarHBondContact OE2-CE1 3.22Å; E72-Y268 PolarHBondContact OE2-OH 2.86Å; L75-Y268 WeakPolarHBondContact CD2-OH 3.42Å; R176-Y268 HydrophobicContact CB-CD1 4.43Å; R176-Y268 HydrophobicContact CB-CE1 3.91Å; R176-Y268 PolarHBondContact NH2-OH 2.85Å; F177-Y268 HydrophobicContact CB-CD1 4.42Å; F177-Y268 WeakPolarHBondContact CD2-O 3.41Å; Q180-Y268 HydrophobicContact CB-CD1 4.41Å; Q180-Y268 HydrophobicContact CB-CE1 4.29Å; Q180-Y268 HydrophobicContact CG-CD1 4.19Å; Q180-Y268 HydrophobicContact CG-CE1 3.6Å; A261-Y268 WeakPolarHBondContact O-CB 3.33Å; L264-Y268 HydrophobicContact CB-CD1 4.5Å; L264-Y268 HydrophobicContact CB-CD2 3.44Å; L264-Y268 VanDerWaalsContact CB-CD2 3.44Å; L264-Y268 HydrophobicContact CB-CE2 3.48Å; L264-Y268 VanDerWaalsContact CB-CE2 3.48Å; L264-Y268 HydrophobicContact CB-CG 3.97Å; L264-Y268 HydrophobicContact CD1-CD1 4.25Å; L264-Y268 HydrophobicContact CD1-CE1 3.99Å; L264-Y268 HydrophobicContact CD1-CE2 4.26Å; G265-Y268 PolarHBondContact O-N 3.08Å; E266-Y268 VanDerWaalsContact C-N 3.28Å; E266-Y268 PolarHBondContact O-N 3.45Å; Y268-G271 PolarHBondContact O-N 3.36Å; Y268-A272 WeakPolarHBondContact O-CB 3.36Å; Y268-A272 PolarHBondContact O-N 2.9Å |
| 269 | K | 97.2 | Very high | 96 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 173 | -175 | -178 | 173.2 | 174.4 | 0 | 111 | G265 E266 G271 A272 V273 A323 R324 F326 | G265-K269 PolarHBondContact O-N 2.93Å; E266-K269 WeakPolarHBondContact O-CB 3.49Å; E266-K269 PolarHBondContact O-N 3.44Å; K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 2.9Å; K269-A272 WeakPolarHBondContact O-CB 3.43Å; K269-A272 PolarHBondContact O-N 2.85Å; K269-V273 WeakPolarHBondContact O-CG2 3.44Å; K269-V273 PolarHBondContact O-N 2.89Å; K269-A323 WeakPolarHBondContact CE-O 3.44Å; K269-A323 VanDerWaalsContact CG-O 3.26Å; K269-A323 WeakPolarHBondContact CG-O 3.36Å; K269-R324 WeakPolarHBondContact CE-O 3.3Å; K269-R324 PolarHBondContact NZ-O 3.37Å; K269-F326 WeakPolarHBondContact CE-O 3.31Å; K269-F326 PolarHBondContact NZ-O 3.33Å |
| 270 | Q | 98.1 | Very high | 96.1 | Very high | 84 Ų | 84 | 29.3 Ų | 29.3 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 175.2 | -70 | 176.9 | 4.9 | 0 | 0 | 111.8 | K173 E266 A272 V273 E274 | K173-Q270 HydrophobicContact CD-CB 4.48Å; E266-Q270 WeakPolarHBondContact O-CG 3.18Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.39Å; Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.41Å; Q270-V273 PolarHBondContact O-N 3.11Å; Q270-E274 PolarHBondContact O-N 3.08Å |
| 271 | G | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | D267 Y268 K269 V275 | D267-G271 PolarHBondContact O-N 3.37Å; Y268-G271 PolarHBondContact O-N 3.36Å; K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 2.9Å; G271-V275 VanDerWaalsContact O-CG2 3.23Å; G271-V275 WeakPolarHBondContact O-CG2 3.39Å; G271-V275 PolarHBondContact O-N 3.37Å |
| 272 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F177 M262 Y268 K269 Q270 V275 Y276 A323 | F177-A272 HydrophobicContact CD1-CB 3.95Å; F177-A272 HydrophobicContact CD2-CB 3.74Å; F177-A272 HydrophobicContact CE1-CB 3.66Å; F177-A272 HydrophobicContact CE2-CB 3.45Å; F177-A272 VanDerWaalsContact CE2-CB 3.45Å; F177-A272 HydrophobicContact CG-CB 3.96Å; F177-A272 HydrophobicContact CZ-CB 3.37Å; M262-A272 HydrophobicContact CG-CB 4Å; M262-A272 HydrophobicContact SD-CB 3.79Å; Y268-A272 WeakPolarHBondContact O-CB 3.36Å; Y268-A272 PolarHBondContact O-N 2.9Å; K269-A272 WeakPolarHBondContact O-CB 3.43Å; K269-A272 PolarHBondContact O-N 2.85Å; Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.41Å; A272-V275 PolarHBondContact O-N 3.38Å; A272-Y276 HydrophobicContact CB-CE2 4.4Å; A272-Y276 WeakPolarHBondContact O-CD2 3.27Å; A272-Y276 PolarHBondContact O-N 3.02Å; A272-Y276 VanDerWaalsContact O-N 3.09Å; A272-A323 HydrophobicContact CB-CB 3.8Å |
| 273 | V | 98.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -51.5 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | K269 Q270 V275 Y276 E277 L320 A323 R324 | K269-V273 WeakPolarHBondContact O-CG2 3.44Å; K269-V273 PolarHBondContact O-N 2.89Å; Q270-V273 PolarHBondContact O-N 3.11Å; V273-V275 VanDerWaalsContact C-N 3.35Å; V273-V275 PolarHBondContact O-N 3.37Å; V273-Y276 PolarHBondContact O-N 2.93Å; V273-E277 HydrophobicContact CG1-CG 4.25Å; V273-E277 WeakPolarHBondContact CG1-OE1 3.35Å; V273-E277 WeakPolarHBondContact O-CB 3.5Å; V273-E277 WeakPolarHBondContact O-CG 3.04Å; V273-E277 PolarHBondContact O-N 3.15Å; V273-L320 HydrophobicContact CB-CD1 4.41Å; V273-L320 HydrophobicContact CG1-CD1 4.05Å; V273-A323 HydrophobicContact CG2-CB 3.84Å; V273-R324 HydrophobicContact CG2-CG 3.97Å |
| 274 | E | 98.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 179.8 | -178.7 | -171.6 | 164.8 | 0 | 0 | 112.1 | S171 A174 Q270 Y276 K278 | S171-E274 WeakPolarHBondContact CB-OE2 3.42Å; S171-E274 PolarHBondContact N-OE1 2.66Å; S171-E274 PolarHBondContact OG-OE2 3.44Å; A174-E274 HydrophobicContact CB-CB 4.36Å; A174-E274 HydrophobicContact CB-CG 4.33Å; A174-E274 WeakPolarHBondContact CB-OE2 3.34Å; Q270-E274 PolarHBondContact O-N 3.08Å; E274-Y276 PolarHBondContact O-N 3.12Å; E274-K278 HydrophobicContact CG-CD 3.99Å; E274-K278 WeakPolarHBondContact O-CB 3.36Å; E274-K278 WeakPolarHBondContact O-CG 3.46Å; E274-K278 PolarHBondContact O-N 3.47Å; E274-K278 IonicContact OE1-NZ 2.94Å; E274-K278 PolarHBondContact OE1-NZ 3.22Å |
| 275 | V | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | -180 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | L170 A174 F177 L178 G271 A272 V273 I279 | L170-V275 HydrophobicContact CD1-CG2 4.22Å; L170-V275 HydrophobicContact CD2-CG2 4.39Å; A174-V275 HydrophobicContact CB-CG2 3.7Å; F177-V275 HydrophobicContact CD1-CG2 4.16Å; L178-V275 HydrophobicContact CD1-CG2 4.06Å; L178-V275 HydrophobicContact CD2-CG1 3.86Å; L178-V275 HydrophobicContact CD2-CG2 4.2Å; L178-V275 HydrophobicContact CG-CG1 4.44Å; L178-V275 HydrophobicContact CG-CG2 3.88Å; G271-V275 VanDerWaalsContact O-CG2 3.23Å; G271-V275 WeakPolarHBondContact O-CG2 3.39Å; G271-V275 PolarHBondContact O-N 3.37Å; A272-V275 PolarHBondContact O-N 3.38Å; V273-V275 VanDerWaalsContact C-N 3.35Å; V273-V275 PolarHBondContact O-N 3.37Å; V275-I279 HydrophobicContact CG1-CD1 3.85Å; V275-I279 WeakPolarHBondContact O-CB 3.43Å; V275-I279 WeakPolarHBondContact O-CD1 3.43Å; V275-I279 WeakPolarHBondContact O-CG1 3.44Å; V275-I279 PolarHBondContact O-N 2.95Å; V275-I279 VanDerWaalsContact O-N 3.09Å |
| 276 | Y | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.9 | -35 | -175.4 | -65 | -52.9 | 0 | 0 | 0 | 112.5 | F177 R181 N258 A272 V273 E274 I279 L280 Y316 L319 A323 | F177-Y276 HydrophobicContact CE1-CE2 4.14Å; F177-Y276 HydrophobicContact CZ-CE2 4.03Å; R181-Y276 PolarHBondContact NH1-OH 2.86Å; R181-Y276 VanDerWaalsContact NH1-OH 3.16Å; N258-Y276 PolarHBondContact ND2-OH 2.79Å; N258-Y276 WeakPolarHBondContact OD1-CE2 3.28Å; N258-Y276 PolarHBondContact OD1-OH 3.16Å; A272-Y276 HydrophobicContact CB-CE2 4.4Å; A272-Y276 WeakPolarHBondContact O-CD2 3.27Å; A272-Y276 PolarHBondContact O-N 3.02Å; A272-Y276 VanDerWaalsContact O-N 3.09Å; V273-Y276 PolarHBondContact O-N 2.93Å; E274-Y276 PolarHBondContact O-N 3.12Å; Y276-I279 HydrophobicContact CD1-CD1 4.42Å; Y276-I279 PolarHBondContact O-N 2.9Å; Y276-L280 WeakPolarHBondContact O-CB 3.42Å; Y276-L280 VanDerWaalsContact O-CG 3.26Å; Y276-L280 WeakPolarHBondContact O-CG 3.13Å; Y276-L280 PolarHBondContact O-N 3.36Å; Y276-Y316 AromaticContact CD1-CD1 3.91Å; Y276-Y316 HydrophobicContact CD1-CD1 3.91Å; Y276-Y316 HydrophobicContact CE1-CD1 4.04Å; Y276-L319 HydrophobicContact CD1-CB 4.05Å; Y276-L319 HydrophobicContact CD1-CD1 4.42Å; Y276-L319 HydrophobicContact CD2-CB 3.92Å; Y276-L319 HydrophobicContact CE1-CB 3.88Å; Y276-L319 HydrophobicContact CE1-CD1 3.68Å; Y276-L319 HydrophobicContact CE1-CG 4.4Å; Y276-L319 HydrophobicContact CE2-CB 3.73Å; Y276-L319 HydrophobicContact CG-CB 4.1Å; Y276-A323 HydrophobicContact CD2-CB 4.47Å |
| 277 | E | 97.7 | Very high | 95.8 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 27% | 0.271 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.9 | -53.5 | 171.1 | -75.3 | 175.7 | 168.5 | 0 | 0 | 111 | V273 I279 L280 E281 L320 R324 | V273-E277 HydrophobicContact CG1-CG 4.25Å; V273-E277 WeakPolarHBondContact CG1-OE1 3.35Å; V273-E277 WeakPolarHBondContact O-CB 3.5Å; V273-E277 WeakPolarHBondContact O-CG 3.04Å; V273-E277 PolarHBondContact O-N 3.15Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 3.39Å; E277-L280 PolarHBondContact O-N 3.16Å; E277-L280 VanDerWaalsContact O-N 3.07Å; E277-E281 WeakPolarHBondContact O-CB 3.44Å; E277-E281 WeakPolarHBondContact O-CG 3.49Å; E277-E281 PolarHBondContact O-N 3.01Å; E277-L320 HydrophobicContact CG-CD1 3.74Å; E277-L320 HydrophobicContact CG-CD2 3.84Å; E277-L320 HydrophobicContact CG-CG 4.48Å; E277-R324 IonicContact OE1-CZ 3.6Å; E277-R324 IonicContact OE1-NE 2.76Å; E277-R324 IonicContact OE1-NH2 3.32Å; E277-R324 PolarHBondContact OE1-NH2 3.43Å |
| 278 | K | 97.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | -179.5 | -76.1 | -178.6 | 174.7 | 173.5 | 0 | 113 | D169 L170 E274 R282 | D169-K278 PolarHBondContact O-NZ 2.91Å; L170-K278 HydrophobicContact CD2-CD 3.76Å; E274-K278 HydrophobicContact CG-CD 3.99Å; E274-K278 WeakPolarHBondContact O-CB 3.36Å; E274-K278 WeakPolarHBondContact O-CG 3.46Å; E274-K278 PolarHBondContact O-N 3.47Å; E274-K278 IonicContact OE1-NZ 2.94Å; E274-K278 PolarHBondContact OE1-NZ 3.22Å; K278-R282 VanDerWaalsContact O-CB 3.29Å; K278-R282 WeakPolarHBondContact O-CB 3.45Å; K278-R282 PolarHBondContact O-N 3.17Å |
| 279 | I | 95.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 35 Ų | 35 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 175.2 | -73.1 | 168.9 | 0 | 0 | 0 | 111.1 | V275 Y276 E277 N283 Y316 | V275-I279 HydrophobicContact CG1-CD1 3.85Å; V275-I279 WeakPolarHBondContact O-CB 3.43Å; V275-I279 WeakPolarHBondContact O-CD1 3.43Å; V275-I279 WeakPolarHBondContact O-CG1 3.44Å; V275-I279 PolarHBondContact O-N 2.95Å; V275-I279 VanDerWaalsContact O-N 3.09Å; Y276-I279 HydrophobicContact CD1-CD1 4.42Å; Y276-I279 PolarHBondContact O-N 2.9Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 3.39Å; I279-N283 WeakPolarHBondContact O-CB 3.5Å; I279-N283 PolarHBondContact O-N 3.29Å; I279-N283 PolarHBondContact O-ND2 2.99Å; I279-N283 PolarHBondContact O-OD1 2.92Å; I279-Y316 HydrophobicContact CD1-CE1 4.24Å; I279-Y316 HydrophobicContact CG2-CD1 4.15Å; I279-Y316 HydrophobicContact CG2-CD2 3.54Å; I279-Y316 HydrophobicContact CG2-CE1 4.23Å; I279-Y316 HydrophobicContact CG2-CE2 3.6Å; I279-Y316 HydrophobicContact CG2-CG 3.82Å |
| 280 | L | 96.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.7 | -47.3 | -179 | -70.3 | 174.2 | 0 | 0 | 0 | 111.2 | Y276 E277 R282 N283 V284 N301 L320 | Y276-L280 WeakPolarHBondContact O-CB 3.42Å; Y276-L280 VanDerWaalsContact O-CG 3.26Å; Y276-L280 WeakPolarHBondContact O-CG 3.13Å; Y276-L280 PolarHBondContact O-N 3.36Å; E277-L280 PolarHBondContact O-N 3.16Å; E277-L280 VanDerWaalsContact O-N 3.07Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 2.87Å; L280-N283 PolarHBondContact O-N 3Å; L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.49Å; L280-N301 WeakPolarHBondContact CD2-O 3.3Å; L280-L320 HydrophobicContact CD1-CB 4.36Å; L280-L320 HydrophobicContact CD1-CD2 3.74Å |
| 281 | E | 95.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 37.4 Ų | 37.4 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -55.3 | -47.6 | 177 | -74.7 | 176.8 | -179.3 | 0 | 0 | 111.8 | E277 N283 V284 A285 | E277-E281 WeakPolarHBondContact O-CB 3.44Å; E277-E281 WeakPolarHBondContact O-CG 3.49Å; E277-E281 PolarHBondContact O-N 3.01Å; E281-N283 VanDerWaalsContact C-N 3.31Å; E281-N283 PolarHBondContact O-N 3.48Å; E281-V284 PolarHBondContact O-N 2.99Å; E281-A285 WeakPolarHBondContact O-CB 3.39Å; E281-A285 PolarHBondContact O-N 3.33Å |
| 282 | R | 93.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 174.6 | -178 | -167.7 | 58.5 | -145.1 | -3.5 | 111.4 | W145 V164 S167 Y168 K278 L280 A285 V286 | W145-R282 HydrophobicContact CH2-CG 4.42Å; V164-R282 HydrophobicContact CB-CG 4.37Å; V164-R282 HydrophobicContact CG1-CG 4.17Å; V164-R282 HydrophobicContact CG2-CG 3.96Å; S167-R282 VanDerWaalsContact OG-CD 3.31Å; S167-R282 WeakPolarHBondContact OG-CD 3.39Å; Y168-R282 PolarHBondContact OH-NH1 2.88Å; Y168-R282 VanDerWaalsContact OH-NH1 3.07Å; K278-R282 VanDerWaalsContact O-CB 3.29Å; K278-R282 WeakPolarHBondContact O-CB 3.45Å; K278-R282 PolarHBondContact O-N 3.17Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 2.87Å; R282-A285 PolarHBondContact O-N 3.4Å; R282-V286 WeakPolarHBondContact O-CB 3.33Å; R282-V286 WeakPolarHBondContact O-CG2 3.36Å; R282-V286 PolarHBondContact O-N 2.83Å |
| 283 | N | 94.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | -176.7 | -66.7 | -10.5 | 0 | 0 | 0 | 111.5 | I279 L280 E281 V286 Q287 F298 G302 | I279-N283 WeakPolarHBondContact O-CB 3.5Å; I279-N283 PolarHBondContact O-N 3.29Å; I279-N283 PolarHBondContact O-ND2 2.99Å; I279-N283 PolarHBondContact O-OD1 2.92Å; L280-N283 PolarHBondContact O-N 3Å; E281-N283 VanDerWaalsContact C-N 3.31Å; E281-N283 PolarHBondContact O-N 3.48Å; N283-V286 PolarHBondContact O-N 3.36Å; N283-Q287 WeakPolarHBondContact O-CB 3.46Å; N283-Q287 PolarHBondContact O-N 2.92Å; N283-F298 HydrophobicContact CB-CD1 3.64Å; N283-F298 HydrophobicContact CB-CE1 3.7Å; N283-F298 HydrophobicContact CB-CG 4.13Å; N283-F298 HydrophobicContact CB-CZ 4.23Å; N283-F298 VanDerWaalsContact CG-CE1 3.41Å; N283-G302 WeakPolarHBondContact CB-O 3.31Å; N283-G302 PolarHBondContact ND2-O 2.85Å |
| 284 | V | 93.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -49.4 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | L280 E281 V286 Q287 E288 | L280-V284 WeakPolarHBondContact O-CG2 3.36Å; L280-V284 PolarHBondContact O-N 3.49Å; E281-V284 PolarHBondContact O-N 2.99Å; V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 PolarHBondContact O-N 3.43Å; V284-Q287 WeakPolarHBondContact O-CA 3.37Å; V284-Q287 VanDerWaalsContact O-CB 3.29Å; V284-Q287 WeakPolarHBondContact O-CB 3.33Å; V284-Q287 PolarHBondContact O-N 2.93Å; V284-E288 HydrophobicContact CG1-CG 4.4Å; V284-E288 WeakPolarHBondContact O-CG 3.48Å; V284-E288 PolarHBondContact O-N 2.98Å |
| 285 | A | 91 | Very high | 90.7 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L160 K163 E281 R282 E288 V289 | L160-A285 HydrophobicContact CD1-CB 4.04Å; K163-A285 HydrophobicContact CD-CB 4.4Å; E281-A285 WeakPolarHBondContact O-CB 3.39Å; E281-A285 PolarHBondContact O-N 3.33Å; R282-A285 PolarHBondContact O-N 3.4Å; A285-E288 PolarHBondContact O-N 3.46Å; A285-V289 WeakPolarHBondContact O-CG2 3.14Å; A285-V289 PolarHBondContact O-N 3.39Å; A285-V289 VanDerWaalsContact O-N 3.14Å |
| 286 | V | 89.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | W145 L146 L160 V164 R282 N283 V284 E288 L290 F298 | W145-V286 HydrophobicContact CH2-CB 4.4Å; W145-V286 HydrophobicContact CH2-CG1 4.28Å; W145-V286 HydrophobicContact CH2-CG2 3.8Å; W145-V286 HydrophobicContact CZ3-CB 4.43Å; W145-V286 HydrophobicContact CZ3-CG1 4.23Å; W145-V286 HydrophobicContact CZ3-CG2 3.52Å; L146-V286 HydrophobicContact CD2-CG2 4.08Å; L160-V286 HydrophobicContact CD1-CG2 4.11Å; V164-V286 HydrophobicContact CG2-CG2 3.99Å; R282-V286 WeakPolarHBondContact O-CB 3.33Å; R282-V286 WeakPolarHBondContact O-CG2 3.36Å; R282-V286 PolarHBondContact O-N 2.83Å; N283-V286 PolarHBondContact O-N 3.36Å; V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 PolarHBondContact O-N 3.43Å; V286-E288 VanDerWaalsContact C-N 3.34Å; V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.47Å; V286-L290 WeakPolarHBondContact O-CB 3.34Å; V286-L290 WeakPolarHBondContact O-CG 3.48Å; V286-L290 PolarHBondContact O-N 3.16Å; V286-L290 VanDerWaalsContact O-N 3.1Å; V286-F298 HydrophobicContact CB-CE2 4.32Å; V286-F298 HydrophobicContact CG1-CE2 3.9Å |
| 287 | Q | 90.5 | Very high | 89.9 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.7 | -167.5 | -163.4 | 29.4 | 0 | 0 | 111.2 | N283 V284 L290 K291 F298 L299 | N283-Q287 WeakPolarHBondContact O-CB 3.46Å; N283-Q287 PolarHBondContact O-N 2.92Å; V284-Q287 WeakPolarHBondContact O-CA 3.37Å; V284-Q287 VanDerWaalsContact O-CB 3.29Å; V284-Q287 WeakPolarHBondContact O-CB 3.33Å; V284-Q287 PolarHBondContact O-N 2.93Å; Q287-L290 PolarHBondContact O-N 2.86Å; Q287-K291 PolarHBondContact O-N 3.35Å; Q287-K291 VanDerWaalsContact O-N 3.1Å; Q287-F298 HydrophobicContact CB-CB 4.17Å; Q287-F298 HydrophobicContact CB-CD2 4.38Å; Q287-F298 HydrophobicContact CG-CB 4.15Å; Q287-F298 PolarHBondContact NE2-O 3.28Å; Q287-L299 PolarHBondContact NE2-O 2.9Å; Q287-L299 PolarHBondContact OE1-O 3.27Å |
| 288 | E | 87.8 | Confident | 89.6 | Confident | 132 Ų | 132 | 59.2 Ų | 59.2 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | 179.8 | -71.9 | 178.8 | 171.7 | 0 | 0 | 111.9 | V284 A285 V286 L290 K291 | V284-E288 HydrophobicContact CG1-CG 4.4Å; V284-E288 WeakPolarHBondContact O-CG 3.48Å; V284-E288 PolarHBondContact O-N 2.98Å; A285-E288 PolarHBondContact O-N 3.46Å; V286-E288 VanDerWaalsContact C-N 3.34Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.37Å; E288-K291 PolarHBondContact O-N 3.19Å |
| 289 | V | 86.3 | Confident | 89.5 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L150 L160 A285 K291 | L150-V289 HydrophobicContact CD2-CG1 4.27Å; L160-V289 HydrophobicContact CB-CG2 4.23Å; L160-V289 HydrophobicContact CD1-CG2 3.91Å; L160-V289 HydrophobicContact CD2-CB 3.88Å; L160-V289 HydrophobicContact CD2-CG1 3.72Å; L160-V289 HydrophobicContact CD2-CG2 3.78Å; L160-V289 HydrophobicContact CG-CG2 4.16Å; A285-V289 WeakPolarHBondContact O-CG2 3.14Å; A285-V289 PolarHBondContact O-N 3.39Å; A285-V289 VanDerWaalsContact O-N 3.14Å; V289-K291 VanDerWaalsContact C-N 3.3Å; V289-K291 PolarHBondContact O-N 2.92Å |
| 290 | L | 84 | Confident | 89.3 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.4 | -179 | -72.3 | 176 | 0 | 0 | 0 | 114.4 | R149 L150 V286 Q287 E288 N292 Q293 G294 | R149-L290 HydrophobicContact CB-CD1 4.42Å; L150-L290 HydrophobicContact CD2-CD2 3.3Å; L150-L290 HydrophobicContact CD2-CG 3.9Å; L150-L290 HydrophobicContact CG-CD2 4.3Å; V286-L290 HydrophobicContact CG1-CD1 3.77Å; V286-L290 HydrophobicContact CG1-CG 4.47Å; V286-L290 WeakPolarHBondContact O-CB 3.34Å; V286-L290 WeakPolarHBondContact O-CG 3.48Å; V286-L290 PolarHBondContact O-N 3.16Å; V286-L290 VanDerWaalsContact O-N 3.1Å; Q287-L290 PolarHBondContact O-N 2.86Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.37Å; L290-N292 PolarHBondContact O-N 3.39Å; L290-Q293 HydrophobicContact CB-CB 4.23Å; L290-Q293 PolarHBondContact O-N 2.85Å; L290-G294 VanDerWaalsContact CB-N 3.27Å; L290-G294 PolarHBondContact O-N 3.11Å |
| 291 | K | 83 | Confident | 89.2 | Confident | 157 Ų | 157 | 66 Ų | 66 | 68% | 0.683 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | 44.9 | -110.9 | -178.4 | -60.3 | -179.6 | 179.6 | 178.8 | 0 | 112 | Q287 E288 V289 Q293 G294 K295 | Q287-K291 PolarHBondContact O-N 3.35Å; Q287-K291 VanDerWaalsContact O-N 3.1Å; E288-K291 PolarHBondContact O-N 3.19Å; V289-K291 VanDerWaalsContact C-N 3.3Å; V289-K291 PolarHBondContact O-N 2.92Å; K291-Q293 VanDerWaalsContact C-N 3.33Å; K291-Q293 PolarHBondContact O-N 3.3Å; K291-G294 PolarHBondContact O-N 3.37Å; K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.22Å; K291-K295 VanDerWaalsContact O-N 3.08Å |
| 292 | N | 82.5 | Confident | 89.1 | Confident | 124 Ų | 124 | 60 Ų | 60 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -32.6 | -176.9 | -69.2 | -15.8 | 0 | 0 | 0 | 113.4 | L290 | L290-N292 PolarHBondContact O-N 3.39Å |
| 293 | Q | 83.3 | Confident | 89.2 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.3 | -34.3 | 176.3 | -64.6 | -168.8 | -5.3 | 0 | 0 | 111.6 | D151 L290 K291 K295 K296 | D151-Q293 VanDerWaalsContact OD2-CD 3.31Å; D151-Q293 PolarHBondContact OD2-NE2 3.02Å; D151-Q293 PolarHBondContact OD2-OE1 2.8Å; L290-Q293 HydrophobicContact CB-CB 4.23Å; L290-Q293 PolarHBondContact O-N 2.85Å; K291-Q293 VanDerWaalsContact C-N 3.33Å; K291-Q293 PolarHBondContact O-N 3.3Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; Q293-K296 WeakPolarHBondContact O-CB 3.26Å; Q293-K296 PolarHBondContact O-N 3.46Å; Q293-K296 VanDerWaalsContact O-N 3.15Å |
| 294 | G | 81 | Confident | 89.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L290 K291 K296 K297 F298 | L290-G294 VanDerWaalsContact CB-N 3.27Å; L290-G294 PolarHBondContact O-N 3.11Å; K291-G294 PolarHBondContact O-N 3.37Å; G294-K296 PolarHBondContact O-N 2.94Å; G294-K296 VanDerWaalsContact O-N 3.11Å; G294-K297 PolarHBondContact O-N 3.32Å; G294-F298 PolarHBondContact O-N 3.36Å |
| 295 | K | 86.7 | Confident | 89.1 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.7 | 176 | -68.8 | 179.9 | -177.6 | -175.9 | 0 | 114.8 | K291 Q293 L305 | K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.22Å; K291-K295 VanDerWaalsContact O-N 3.08Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; K295-L305 WeakPolarHBondContact O-CD1 2.98Å |
| 296 | K | 88.9 | Confident | 88.9 | Confident | 170 Ų | 170 | 67.4 Ų | 67.4 | 74% | 0.739 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.8 | 172.5 | -66.8 | -179.3 | 179.8 | -178.3 | 0 | 113.2 | Q293 G294 L305 | Q293-K296 WeakPolarHBondContact O-CB 3.26Å; Q293-K296 PolarHBondContact O-N 3.46Å; Q293-K296 VanDerWaalsContact O-N 3.15Å; G294-K296 PolarHBondContact O-N 2.94Å; G294-K296 VanDerWaalsContact O-N 3.11Å; K296-L305 VanDerWaalsContact C-CD1 3.45Å; K296-L305 WeakPolarHBondContact O-CD1 3.41Å |
| 297 | K | 88.8 | Confident | 88.8 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -30.9 | -176.3 | -63.3 | -179.3 | -173.9 | 177.4 | 0 | 112.6 | R149 G294 L305 | R149-K297 PolarHBondContact O-NZ 3.35Å; G294-K297 PolarHBondContact O-N 3.32Å; K297-L305 PolarHBondContact O-N 3.03Å |
| 298 | F | 93.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 82.8 Ų | 82.8 | 4% | 0.039 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 146.7 | -177.1 | -56.3 | -73.8 | 0 | 0 | 0 | 111.2 | W145 N283 V286 Q287 G294 D303 P304 | W145-F298 HydrophobicContact CH2-CZ 4.35Å; W145-F298 HydrophobicContact CZ2-CZ 4.47Å; N283-F298 HydrophobicContact CB-CD1 3.64Å; N283-F298 HydrophobicContact CB-CE1 3.7Å; N283-F298 HydrophobicContact CB-CG 4.13Å; N283-F298 HydrophobicContact CB-CZ 4.23Å; N283-F298 VanDerWaalsContact CG-CE1 3.41Å; V286-F298 HydrophobicContact CB-CE2 4.32Å; V286-F298 HydrophobicContact CG1-CE2 3.9Å; Q287-F298 HydrophobicContact CB-CB 4.17Å; Q287-F298 HydrophobicContact CB-CD2 4.38Å; Q287-F298 HydrophobicContact CG-CB 4.15Å; Q287-F298 PolarHBondContact NE2-O 3.28Å; G294-F298 PolarHBondContact O-N 3.36Å; F298-D303 CarbonylContact C-O 3.57Å; F298-D303 VanDerWaalsContact CA-O 3.29Å; F298-D303 WeakPolarHBondContact CA-O 3.5Å; F298-P304 HydrophobicContact CD1-CB 4.28Å; F298-P304 HydrophobicContact CE1-CB 4.32Å |
| 299 | L | 94 | Very high | 88.2 | Confident | 56 Ų | 56 | 83 Ų | 83 | 29% | 0.293 | 39% | 0.393 | S | S | . | . | trans | -75.1 | 159.9 | 166.1 | -71.3 | 174.3 | 0 | 0 | 0 | 110.4 | Q287 N301 G302 D303 L305 | Q287-L299 PolarHBondContact NE2-O 2.9Å; Q287-L299 PolarHBondContact OE1-O 3.27Å; L299-N301 WeakPolarHBondContact CB-OD1 3.35Å; L299-N301 PolarHBondContact O-N 3Å; L299-N301 VanDerWaalsContact O-N 3.08Å; L299-G302 PolarHBondContact O-N 3.49Å; L299-D303 HydrophobicContact CB-CB 4.31Å; L299-D303 HydrophobicContact CD1-CB 4.05Å; L299-D303 PolarHBondContact N-O 3.25Å; L299-L305 HydrophobicContact CD2-CD2 3.63Å; L299-L305 HydrophobicContact CD2-CG 4.36Å; L299-L305 HydrophobicContact CG-CD2 3.82Å; L299-L305 HydrophobicContact CG-CG 4.24Å | ||
| 300 | P | 92.6 | Very high | 88.2 | Confident | 107 Ų | 107 | 84 Ų | 84 | 70% | 0.695 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.9 | -179.5 | -26.3 | 35.4 | 0 | 0 | 0 | 114.9 | G302 | P300-G302 VanDerWaalsContact C-N 3.31Š|
| 301 | N | 93.6 | Very high | 88.3 | Confident | 70 Ų | 70 | 85.6 Ų | 85.6 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3 | 177.8 | 68.8 | -18 | 0 | 0 | 0 | 113.4 | L280 L299 D303 S317 | L280-N301 WeakPolarHBondContact CD2-O 3.3Å; L299-N301 WeakPolarHBondContact CB-OD1 3.35Å; L299-N301 PolarHBondContact O-N 3Å; L299-N301 VanDerWaalsContact O-N 3.08Å; N301-D303 PolarHBondContact ND2-OD2 3.28Å; N301-D303 WeakPolarHBondContact OD1-CB 3.41Å; N301-D303 PolarHBondContact OD1-N 3.46Å; N301-D303 PolarHBondContact OD1-OD2 2.73Å; N301-S317 PolarHBondContact ND2-OG 3.14Å |
| 302 | G | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 90.4 | -3.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N283 L299 P300 | N283-G302 WeakPolarHBondContact CB-O 3.31Å; N283-G302 PolarHBondContact ND2-O 2.85Å; L299-G302 PolarHBondContact O-N 3.49Å; P300-G302 VanDerWaalsContact C-N 3.31Å |
| 303 | D | 95.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 137.8 | 176.3 | -78.7 | -44.3 | 0 | 0 | 0 | 111.3 | F298 L299 N301 L305 Y316 S317 | F298-D303 CarbonylContact C-O 3.57Å; F298-D303 VanDerWaalsContact CA-O 3.29Å; F298-D303 WeakPolarHBondContact CA-O 3.5Å; L299-D303 HydrophobicContact CB-CB 4.31Å; L299-D303 HydrophobicContact CD1-CB 4.05Å; L299-D303 PolarHBondContact N-O 3.25Å; N301-D303 PolarHBondContact ND2-OD2 3.28Å; N301-D303 WeakPolarHBondContact OD1-CB 3.41Å; N301-D303 PolarHBondContact OD1-N 3.46Å; N301-D303 PolarHBondContact OD1-OD2 2.73Å; D303-L305 PolarHBondContact O-N 2.86Å; D303-Y316 PolarHBondContact OD1-N 2.78Å; D303-S317 PolarHBondContact OD1-N 3.46Å; D303-S317 VanDerWaalsContact OD2-CB 3.28Å; D303-S317 WeakPolarHBondContact OD2-CB 3.43Å; D303-S317 PolarHBondContact OD2-OG 3.46Å |
| 304 | P | 92.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 40% | 0.403 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 136 | 175.6 | 27.8 | -33.7 | 0 | 0 | 0 | 111.2 | F298 L306 Y316 | F298-P304 HydrophobicContact CD1-CB 4.28Å; F298-P304 HydrophobicContact CE1-CB 4.32Å; P304-L306 PolarHBondContact O-N 3.01Å; P304-Y316 HydrophobicContact CG-CD2 4.28Å; P304-Y316 HydrophobicContact CG-CE2 4.01Å |
| 305 | L | 91.8 | Very high | 90 | Very high | 63 Ų | 63 | 77.8 Ų | 77.8 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 120.7 | 167.1 | -76.3 | 169.8 | 0 | 0 | 0 | 108.9 | K295 K296 K297 L299 D303 | K295-L305 WeakPolarHBondContact O-CD1 2.98Å; K296-L305 VanDerWaalsContact C-CD1 3.45Å; K296-L305 WeakPolarHBondContact O-CD1 3.41Å; K297-L305 PolarHBondContact O-N 3.03Å; L299-L305 HydrophobicContact CD2-CD2 3.63Å; L299-L305 HydrophobicContact CD2-CG 4.36Å; L299-L305 HydrophobicContact CG-CD2 3.82Å; L299-L305 HydrophobicContact CG-CG 4.24Å; D303-L305 PolarHBondContact O-N 2.86Å |
| 306 | L | 86.8 | Confident | 90.4 | Very high | 93 Ų | 93 | 73 Ų | 73 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 135.5 | -177.3 | -154.2 | 84 | 0 | 0 | 0 | 110.5 | P304 E310 P312 | P304-L306 PolarHBondContact O-N 3.01Å; L306-E310 HydrophobicContact CD1-CB 4.09Å; L306-E310 VanDerWaalsContact CD2-O 3.28Å; L306-E310 WeakPolarHBondContact CD2-O 3.28Å; L306-E310 HydrophobicContact CG-CB 4Å; L306-P312 HydrophobicContact CD1-CB 4.49Å; L306-P312 HydrophobicContact CD2-CB 3.9Å; L306-P312 HydrophobicContact CD2-CG 3.52Å |
| 307 | K | 87.3 | Confident | 90.8 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 154.7 | 169.1 | -59.4 | 178.9 | -166.6 | 148.3 | 0 | 110.2 | Y309 E310 | K307-Y309 HydrophobicContact CB-CD1 4.12Å; K307-Y309 HydrophobicContact CB-CE1 3.85Å; K307-Y309 HydrophobicContact CB-CE2 4.36Å; K307-Y309 HydrophobicContact CD-CE1 3.72Å; K307-Y309 HydrophobicContact CD-CE2 4.07Å; K307-Y309 WeakPolarHBondContact CD-OH 3.37Å; K307-Y309 HydrophobicContact CG-CE1 4.44Å; K307-Y309 PolarHBondContact NZ-OH 3.14Å; K307-Y309 VanDerWaalsContact NZ-OH 3.12Å; K307-Y309 PolarHBondContact O-N 3.48Å; K307-E310 HydrophobicContact CB-CB 4.47Å; K307-E310 HydrophobicContact CB-CG 4.07Å; K307-E310 WeakPolarHBondContact CD-OE1 3.25Å; K307-E310 PolarHBondContact N-OE2 2.83Å; K307-E310 IonicContact NZ-OE1 3.35Å; K307-E310 PolarHBondContact NZ-OE1 2.93Å; K307-E310 PolarHBondContact O-N 3.03Å |
| 308 | W | 82.5 | Confident | 91.2 | Very high | 241 Ų | 241 | 67.6 Ų | 67.6 | 91% | 0.913 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.3 | -176.8 | 67 | -96.8 | 0 | 0 | 0 | 114.7 | ||
| 309 | Y | 83.5 | Confident | 91.4 | Very high | 137 Ų | 137 | 67.5 Ų | 67.5 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -5.4 | 178.8 | 58.9 | -101 | 0 | 0 | 0 | 113.9 | K307 | K307-Y309 HydrophobicContact CB-CD1 4.12Å; K307-Y309 HydrophobicContact CB-CE1 3.85Å; K307-Y309 HydrophobicContact CB-CE2 4.36Å; K307-Y309 HydrophobicContact CD-CE1 3.72Å; K307-Y309 HydrophobicContact CD-CE2 4.07Å; K307-Y309 WeakPolarHBondContact CD-OH 3.37Å; K307-Y309 HydrophobicContact CG-CE1 4.44Å; K307-Y309 PolarHBondContact NZ-OH 3.14Å; K307-Y309 VanDerWaalsContact NZ-OH 3.12Å; K307-Y309 PolarHBondContact O-N 3.48Å |
| 310 | E | 85.9 | Confident | 91.6 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -87.8 | 136.8 | -179.1 | -74 | 171.3 | 178.7 | 0 | 0 | 109.5 | L306 K307 | L306-E310 HydrophobicContact CD1-CB 4.09Å; L306-E310 VanDerWaalsContact CD2-O 3.28Å; L306-E310 WeakPolarHBondContact CD2-O 3.28Å; L306-E310 HydrophobicContact CG-CB 4Å; K307-E310 HydrophobicContact CB-CB 4.47Å; K307-E310 HydrophobicContact CB-CG 4.07Å; K307-E310 WeakPolarHBondContact CD-OE1 3.25Å; K307-E310 PolarHBondContact N-OE2 2.83Å; K307-E310 IonicContact NZ-OE1 3.35Å; K307-E310 PolarHBondContact NZ-OE1 2.93Å; K307-E310 PolarHBondContact O-N 3.03Å |
| 311 | L | 85.6 | Confident | 91.8 | Very high | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 123.5 | 175.7 | -163.4 | 79 | 0 | 0 | 0 | 109.2 | L246 Q247 K250 G313 | L246-L311 HydrophobicContact CB-CD1 3.83Å; L246-L311 HydrophobicContact CB-CD2 3.85Å; L246-L311 HydrophobicContact CB-CG 4.48Å; L246-L311 WeakPolarHBondContact O-CD2 3.41Å; Q247-L311 HydrophobicContact CB-CD1 4.17Å; Q247-L311 HydrophobicContact CB-CG 4.3Å; K250-L311 HydrophobicContact CB-CD2 4.03Å; K250-L311 HydrophobicContact CD-CB 4.47Å; K250-L311 HydrophobicContact CD-CD2 3.95Å; K250-L311 HydrophobicContact CD-CG 4.46Å; K250-L311 PolarHBondContact NZ-O 3.4Å; L311-G313 PolarHBondContact O-N 3.48Å |
| 312 | P | 87.9 | Confident | 91.9 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 131.5 | -178.3 | -13.7 | 23.7 | 0 | 0 | 0 | 110.6 | Q247 L306 | Q247-P312 VanDerWaalsContact CD-CG 3.41Å; Q247-P312 HydrophobicContact CG-CB 3.98Å; Q247-P312 HydrophobicContact CG-CG 3.91Å; L306-P312 HydrophobicContact CD1-CB 4.49Å; L306-P312 HydrophobicContact CD2-CB 3.9Å; L306-P312 HydrophobicContact CD2-CG 3.52Å |
| 313 | G | 89.4 | Confident | 92.1 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | trans | -98.8 | -167.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q251 E254 L311 | Q251-G313 PolarHBondContact NE2-O 2.94Å; E254-G313 VanDerWaalsContact OE2-CA 3.28Å; E254-G313 WeakPolarHBondContact OE2-CA 3.22Å; L311-G313 PolarHBondContact O-N 3.48Å | ||
| 314 | M | 93.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 17% | 0.172 | 33% | 0.326 | C | S | . | . | trans | -66.8 | 144.1 | 161.4 | -64.1 | -165 | 70.3 | 0 | 0 | 109.6 | Q251 E254 E255 Q318 L319 M322 | Q251-M314 HydrophobicContact CB-CG 4.3Å; Q251-M314 HydrophobicContact CG-CG 4.33Å; E254-M314 HydrophobicContact CB-CG 4.33Å; E254-M314 PolarHBondContact OE2-N 2.99Å; E255-M314 HydrophobicContact CB-SD 3.73Å; M314-Q318 HydrophobicContact CE-CB 4.28Å; M314-L319 HydrophobicContact CB-CD1 4.15Å; M314-L319 HydrophobicContact CB-CD2 3.93Å; M314-L319 HydrophobicContact CB-CG 3.84Å; M314-L319 HydrophobicContact CE-CD2 4.15Å; M314-L319 HydrophobicContact CG-CD2 4.4Å; M314-L319 HydrophobicContact SD-CD2 3.67Å; M314-M322 HydrophobicContact CE-CE 3.53Å; M314-M322 HydrophobicContact SD-CE 4.03Å | ||
| 315 | K | 95.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 70.9 Ų | 70.9 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | trans | -70.4 | 148.2 | 172.7 | -66.4 | 179.8 | -178.3 | 177.8 | 0 | 109.4 | S317 Q318 L319 | K315-S317 VanDerWaalsContact C-N 3.25Å; K315-S317 PolarHBondContact O-N 3.44Å; K315-Q318 HydrophobicContact CB-CB 4.23Å; K315-Q318 HydrophobicContact CB-CG 3.96Å; K315-Q318 VanDerWaalsContact N-OE1 3.13Å; K315-Q318 WeakPolarHBondContact O-CB 3.49Å; K315-Q318 PolarHBondContact O-N 2.95Å; K315-Q318 VanDerWaalsContact O-N 3.12Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.38Å | ||
| 316 | Y | 96.3 | Very high | 92.4 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -32.7 | 177.5 | -65.6 | -57.1 | 0 | 0 | 0 | 111.3 | K111 Y276 I279 D303 P304 Q318 L319 L320 | K111-Y316 PolarHBondContact NZ-OH 2.99Å; K111-Y316 VanDerWaalsContact NZ-OH 3.12Å; Y276-Y316 AromaticContact CD1-CD1 3.91Å; Y276-Y316 HydrophobicContact CD1-CD1 3.91Å; Y276-Y316 HydrophobicContact CE1-CD1 4.04Å; I279-Y316 HydrophobicContact CD1-CE1 4.24Å; I279-Y316 HydrophobicContact CG2-CD1 4.15Å; I279-Y316 HydrophobicContact CG2-CD2 3.54Å; I279-Y316 HydrophobicContact CG2-CE1 4.23Å; I279-Y316 HydrophobicContact CG2-CE2 3.6Å; I279-Y316 HydrophobicContact CG2-CG 3.82Å; D303-Y316 PolarHBondContact OD1-N 2.78Å; P304-Y316 HydrophobicContact CG-CD2 4.28Å; P304-Y316 HydrophobicContact CG-CE2 4.01Å; Y316-Q318 VanDerWaalsContact C-N 3.32Å; Y316-Q318 PolarHBondContact O-N 3.07Å; Y316-L319 HydrophobicContact CD1-CD1 4.18Å; Y316-L319 PolarHBondContact O-N 3.3Å; Y316-L320 WeakPolarHBondContact O-CB 3.48Å; Y316-L320 PolarHBondContact O-N 3.32Å |
| 317 | S | 97 | Very high | 92.7 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 171.2 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | N301 D303 K315 L320 D321 | N301-S317 PolarHBondContact ND2-OG 3.14Å; D303-S317 PolarHBondContact OD1-N 3.46Å; D303-S317 VanDerWaalsContact OD2-CB 3.28Å; D303-S317 WeakPolarHBondContact OD2-CB 3.43Å; D303-S317 PolarHBondContact OD2-OG 3.46Å; K315-S317 VanDerWaalsContact C-N 3.25Å; K315-S317 PolarHBondContact O-N 3.44Å; S317-L320 PolarHBondContact O-N 3.39Å; S317-D321 WeakPolarHBondContact O-CB 3.31Å; S317-D321 PolarHBondContact O-N 3.37Å |
| 318 | Q | 96.7 | Very high | 92.5 | Very high | 90 Ų | 90 | 71.1 Ų | 71.1 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 175.8 | -69.2 | 173.6 | -35.9 | 0 | 0 | 111.7 | M314 K315 Y316 D321 M322 | M314-Q318 HydrophobicContact CE-CB 4.28Å; K315-Q318 HydrophobicContact CB-CB 4.23Å; K315-Q318 HydrophobicContact CB-CG 3.96Å; K315-Q318 VanDerWaalsContact N-OE1 3.13Å; K315-Q318 WeakPolarHBondContact O-CB 3.49Å; K315-Q318 PolarHBondContact O-N 2.95Å; K315-Q318 VanDerWaalsContact O-N 3.12Å; Y316-Q318 VanDerWaalsContact C-N 3.32Å; Y316-Q318 PolarHBondContact O-N 3.07Å; Q318-D321 PolarHBondContact O-N 3.07Å; Q318-M322 WeakPolarHBondContact O-CB 3.46Å; Q318-M322 PolarHBondContact O-N 3.23Å |
| 319 | L | 96.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 175.9 | -69.6 | 170.8 | 0 | 0 | 0 | 112 | Y276 M314 K315 Y316 A323 | Y276-L319 HydrophobicContact CD1-CB 4.05Å; Y276-L319 HydrophobicContact CD1-CD1 4.42Å; Y276-L319 HydrophobicContact CD2-CB 3.92Å; Y276-L319 HydrophobicContact CE1-CB 3.88Å; Y276-L319 HydrophobicContact CE1-CD1 3.68Å; Y276-L319 HydrophobicContact CE1-CG 4.4Å; Y276-L319 HydrophobicContact CE2-CB 3.73Å; Y276-L319 HydrophobicContact CG-CB 4.1Å; M314-L319 HydrophobicContact CB-CD1 4.15Å; M314-L319 HydrophobicContact CB-CD2 3.93Å; M314-L319 HydrophobicContact CB-CG 3.84Å; M314-L319 HydrophobicContact CE-CD2 4.15Å; M314-L319 HydrophobicContact CG-CD2 4.4Å; M314-L319 HydrophobicContact SD-CD2 3.67Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.38Å; Y316-L319 HydrophobicContact CD1-CD1 4.18Å; Y316-L319 PolarHBondContact O-N 3.3Å; L319-A323 WeakPolarHBondContact O-CB 3.37Å; L319-A323 PolarHBondContact O-N 3.1Å |
| 320 | L | 97.7 | Very high | 92.3 | Very high | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 173.9 | 178.2 | 56.1 | 0 | 0 | 0 | 111.5 | V273 E277 L280 Y316 S317 M322 A323 R324 | V273-L320 HydrophobicContact CB-CD1 4.41Å; V273-L320 HydrophobicContact CG1-CD1 4.05Å; E277-L320 HydrophobicContact CG-CD1 3.74Å; E277-L320 HydrophobicContact CG-CD2 3.84Å; E277-L320 HydrophobicContact CG-CG 4.48Å; L280-L320 HydrophobicContact CD1-CB 4.36Å; L280-L320 HydrophobicContact CD1-CD2 3.74Å; Y316-L320 WeakPolarHBondContact O-CB 3.48Å; Y316-L320 PolarHBondContact O-N 3.32Å; S317-L320 PolarHBondContact O-N 3.39Å; L320-M322 VanDerWaalsContact C-N 3.33Å; L320-A323 PolarHBondContact O-N 3.38Å; L320-A323 VanDerWaalsContact O-N 3.16Å; L320-R324 HydrophobicContact CD1-CG 4.24Å; L320-R324 WeakPolarHBondContact O-CG 3.44Å; L320-R324 PolarHBondContact O-N 3.27Å |
| 321 | D | 97.7 | Very high | 91.8 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 177.5 | -169.5 | 48.6 | 0 | 0 | 0 | 111.2 | S317 Q318 A323 R324 T325 | S317-D321 WeakPolarHBondContact O-CB 3.31Å; S317-D321 PolarHBondContact O-N 3.37Å; Q318-D321 PolarHBondContact O-N 3.07Å; D321-A323 VanDerWaalsContact C-N 3.35Å; D321-A323 PolarHBondContact O-N 2.96Å; D321-R324 PolarHBondContact O-N 3.42Å; D321-T325 WeakPolarHBondContact O-CB 3.42Å; D321-T325 WeakPolarHBondContact O-CG2 3.14Å; D321-T325 PolarHBondContact O-N 2.84Å; D321-T325 PolarHBondContact O-OG1 2.93Å |
| 322 | M | 96.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.138 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 170.9 | -177.1 | -169.3 | -70.3 | 0 | 0 | 110.9 | E255 N258 R259 M262 M314 Q318 L320 R324 T325 F326 | E255-M322 HydrophobicContact CB-CE 4.24Å; E255-M322 HydrophobicContact CG-CE 3.72Å; N258-M322 HydrophobicContact CB-SD 4.21Å; R259-M322 HydrophobicContact CG-SD 4.02Å; M262-M322 HydrophobicContact CE-CG 4.05Å; M262-M322 HydrophobicContact CE-SD 4.11Å; M314-M322 HydrophobicContact CE-CE 3.53Å; M314-M322 HydrophobicContact SD-CE 4.03Å; Q318-M322 WeakPolarHBondContact O-CB 3.46Å; Q318-M322 PolarHBondContact O-N 3.23Å; L320-M322 VanDerWaalsContact C-N 3.33Å; M322-R324 VanDerWaalsContact C-N 3.31Å; M322-R324 PolarHBondContact O-N 2.96Å; M322-T325 PolarHBondContact O-N 3.46Å; M322-F326 WeakPolarHBondContact O-CA 3.38Å; M322-F326 WeakPolarHBondContact O-CB 3.14Å; M322-F326 PolarHBondContact O-N 3.07Å |
| 323 | A | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -36.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M262 K269 A272 V273 Y276 L319 L320 D321 | M262-A323 VanDerWaalsContact SD-CA 3.57Å; M262-A323 HydrophobicContact SD-CB 3.78Å; K269-A323 WeakPolarHBondContact CE-O 3.44Å; K269-A323 VanDerWaalsContact CG-O 3.26Å; K269-A323 WeakPolarHBondContact CG-O 3.36Å; A272-A323 HydrophobicContact CB-CB 3.8Å; V273-A323 HydrophobicContact CG2-CB 3.84Å; Y276-A323 HydrophobicContact CD2-CB 4.47Å; L319-A323 WeakPolarHBondContact O-CB 3.37Å; L319-A323 PolarHBondContact O-N 3.1Å; L320-A323 PolarHBondContact O-N 3.38Å; L320-A323 VanDerWaalsContact O-N 3.16Å; D321-A323 VanDerWaalsContact C-N 3.35Å; D321-A323 PolarHBondContact O-N 2.96Å |
| 324 | R | 97.1 | Very high | 88.9 | Confident | 136 Ų | 136 | 69 Ų | 69 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.8 | -42.2 | 178.3 | -72.1 | 174.1 | 172.4 | 177 | -3.2 | 112.3 | K269 V273 E277 L320 D321 M322 | K269-R324 WeakPolarHBondContact CE-O 3.3Å; K269-R324 PolarHBondContact NZ-O 3.37Å; V273-R324 HydrophobicContact CG2-CG 3.97Å; E277-R324 IonicContact OE1-CZ 3.6Å; E277-R324 IonicContact OE1-NE 2.76Å; E277-R324 IonicContact OE1-NH2 3.32Å; E277-R324 PolarHBondContact OE1-NH2 3.43Å; L320-R324 HydrophobicContact CD1-CG 4.24Å; L320-R324 WeakPolarHBondContact O-CG 3.44Å; L320-R324 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact O-N 3.42Å; M322-R324 VanDerWaalsContact C-N 3.31Å; M322-R324 PolarHBondContact O-N 2.96Å |
| 325 | T | 96.1 | Very high | 87 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -90.2 | -2.9 | -176 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | D321 M322 E327 | D321-T325 WeakPolarHBondContact O-CB 3.42Å; D321-T325 WeakPolarHBondContact O-CG2 3.14Å; D321-T325 PolarHBondContact O-N 2.84Å; D321-T325 PolarHBondContact O-OG1 2.93Å; M322-T325 PolarHBondContact O-N 3.46Å; T325-E327 PolarHBondContact O-N 2.87Å; T325-E327 VanDerWaalsContact O-N 3.15Å |
| 326 | F | 94.6 | Very high | 85.1 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | trans | -60.9 | 120.5 | -176.4 | -174.8 | -106 | 0 | 0 | 0 | 111.2 | R259 M262 A263 K269 M322 P328 D332 | R259-F326 HydrophobicContact CB-CE2 3.94Å; R259-F326 HydrophobicContact CB-CZ 4.5Å; R259-F326 HydrophobicContact CG-CD2 4.36Å; R259-F326 HydrophobicContact CG-CE2 3.9Å; M262-F326 HydrophobicContact CB-CD1 3.6Å; M262-F326 HydrophobicContact CB-CE1 3.63Å; M262-F326 HydrophobicContact CB-CG 4.14Å; M262-F326 HydrophobicContact CB-CZ 4.2Å; M262-F326 HydrophobicContact CE-CB 4.02Å; M262-F326 HydrophobicContact CE-CD1 4.41Å; M262-F326 HydrophobicContact CE-CD2 3.77Å; M262-F326 HydrophobicContact CE-CE2 4.35Å; M262-F326 HydrophobicContact CE-CG 3.8Å; M262-F326 HydrophobicContact SD-CB 4.26Å; M262-F326 HydrophobicContact SD-CG 4.35Å; A263-F326 HydrophobicContact CB-CE1 4.36Å; A263-F326 HydrophobicContact CB-CZ 4.1Å; K269-F326 WeakPolarHBondContact CE-O 3.31Å; K269-F326 PolarHBondContact NZ-O 3.33Å; M322-F326 WeakPolarHBondContact O-CA 3.38Å; M322-F326 WeakPolarHBondContact O-CB 3.14Å; M322-F326 PolarHBondContact O-N 3.07Å; F326-P328 HydrophobicContact CE1-CB 4.02Å; F326-P328 HydrophobicContact CZ-CB 4.22Å; F326-D332 HydrophobicContact CZ-CB 4.29Å | ||
| 327 | E | 91.5 | Very high | 82.9 | Confident | 155 Ų | 155 | 67 Ų | 67 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | trans | -120.3 | 122.1 | 165.7 | -69.1 | -176.6 | 174.5 | 0 | 0 | 106.8 | T325 T329 | T325-E327 PolarHBondContact O-N 2.87Å; T325-E327 VanDerWaalsContact O-N 3.15Å; E327-T329 PolarHBondContact O-N 3.28Å; E327-T329 VanDerWaalsContact O-N 3.17Å | ||
| 328 | P | 85 | Confident | 80.4 | Confident | 94 Ų | 94 | 70.5 Ų | 70.5 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | trans | -64 | 120.4 | -176.9 | 24.1 | -31.2 | 0 | 0 | 0 | 109.8 | F326 | F326-P328 HydrophobicContact CE1-CB 4.02Å; F326-P328 HydrophobicContact CZ-CB 4.22Å | ||
| 329 | T | 84.8 | Confident | 78 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | trans | -87.9 | 162.6 | 171.3 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | E327 A331 D332 S333 | E327-T329 PolarHBondContact O-N 3.28Å; E327-T329 VanDerWaalsContact O-N 3.17Å; T329-A331 PolarHBondContact O-N 3.32Å; T329-A331 VanDerWaalsContact O-N 3.14Å; T329-A331 PolarHBondContact OG1-N 3.34Å; T329-D332 WeakPolarHBondContact CB-OD2 2.95Å; T329-D332 PolarHBondContact N-OD2 2.79Å; T329-D332 WeakPolarHBondContact O-CB 3.23Å; T329-D332 PolarHBondContact O-N 3.33Å; T329-D332 PolarHBondContact OG1-N 2.99Å; T329-D332 PolarHBondContact OG1-OD2 3.2Å; T329-S333 PolarHBondContact O-N 3.38Å | ||
| 330 | E | 76.5 | Confident | 75.2 | Confident | 163 Ų | 163 | 79.4 Ų | 79.4 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.3 | 171.3 | -75.4 | -173 | 167.8 | 0 | 0 | 112.4 | D332 S333 Q334 | E330-D332 VanDerWaalsContact C-N 3.3Å; E330-D332 PolarHBondContact O-N 3.41Å; E330-S333 PolarHBondContact O-N 3.11Å; E330-S333 PolarHBondContact O-OG 3.43Å; E330-Q334 WeakPolarHBondContact O-CG 3.44Å; E330-Q334 PolarHBondContact O-N 3.35Å |
| 331 | A | 74.7 | Confident | 74.1 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T329 S333 Q334 | T329-A331 PolarHBondContact O-N 3.32Å; T329-A331 VanDerWaalsContact O-N 3.14Å; T329-A331 PolarHBondContact OG1-N 3.34Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-Q334 PolarHBondContact O-N 3.29Å |
| 332 | D | 72.6 | Confident | 72.8 | Confident | 19 Ų | 19 | 81.7 Ų | 81.7 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.3 | 179.2 | -62.9 | -57.7 | 0 | 0 | 0 | 112.5 | R259 A263 F326 T329 E330 | R259-D332 IonicContact CZ-OD1 3.87Å; R259-D332 IonicContact CZ-OD2 2.7Å; R259-D332 IonicContact NE-OD1 2.66Å; R259-D332 PolarHBondContact NE-OD1 2.91Å; R259-D332 IonicContact NE-OD2 3.66Å; R259-D332 VanDerWaalsContact NH2-CG 3.31Å; R259-D332 IonicContact NH2-OD1 3.53Å; R259-D332 PolarHBondContact NH2-OD1 3.24Å; R259-D332 IonicContact NH2-OD2 2.83Å; R259-D332 PolarHBondContact NH2-OD2 3.07Å; A263-D332 HydrophobicContact CB-CB 4.13Å; F326-D332 HydrophobicContact CZ-CB 4.29Å; T329-D332 WeakPolarHBondContact CB-OD2 2.95Å; T329-D332 PolarHBondContact N-OD2 2.79Å; T329-D332 WeakPolarHBondContact O-CB 3.23Å; T329-D332 PolarHBondContact O-N 3.33Å; T329-D332 PolarHBondContact OG1-N 2.99Å; T329-D332 PolarHBondContact OG1-OD2 3.2Å; E330-D332 VanDerWaalsContact C-N 3.3Å; E330-D332 PolarHBondContact O-N 3.41Å |
| 333 | S | 67.4 | Low | 71.5 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -91.1 | -4.5 | 171.5 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | T329 E330 A331 | T329-S333 PolarHBondContact O-N 3.38Å; E330-S333 PolarHBondContact O-N 3.11Å; E330-S333 PolarHBondContact O-OG 3.43Å; A331-S333 VanDerWaalsContact C-N 3.33Å |
| 334 | Q | 61.7 | Low | 70 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -80.2 | 143 | 172.9 | -64.5 | -142.2 | -0.8 | 0 | 0 | 111.1 | E330 A331 F336 | E330-Q334 WeakPolarHBondContact O-CG 3.44Å; E330-Q334 PolarHBondContact O-N 3.35Å; A331-Q334 PolarHBondContact O-N 3.29Å; Q334-F336 PolarHBondContact O-N 3.07Å |
| 335 | P | 53.6 | Low | 68.3 | Low | 28 Ų | 28 | 86.8 Ų | 86.8 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | trans | -55.8 | 126.7 | 171.1 | 6.3 | -14.2 | 0 | 0 | 0 | 109.7 | E83 K87 S337 | E83-P335 HydrophobicContact CB-CB 3.8Å; E83-P335 HydrophobicContact CB-CG 3.73Å; E83-P335 HydrophobicContact CG-CB 4.07Å; E83-P335 HydrophobicContact CG-CG 3.82Å; E83-P335 VanDerWaalsContact OE2-CA 3.28Å; E83-P335 WeakPolarHBondContact OE2-CA 3.19Å; E83-P335 VanDerWaalsContact OE2-CB 3.23Å; E83-P335 WeakPolarHBondContact OE2-CB 3.36Å; K87-P335 HydrophobicContact CD-CG 3.99Å; P335-S337 PolarHBondContact O-N 3.15Å | ||
| 336 | F | 55.9 | Low | 66.4 | Low | 44 Ų | 44 | 86.7 Ų | 86.7 | 19% | 0.193 | 48% | 0.477 | C | S | . | . | trans | -44.4 | 113.2 | 175.8 | -70.1 | -75.5 | 0 | 0 | 0 | 109.8 | R80 H184 T256 Q334 L338 | R80-F336 VanDerWaalsContact NH2-CD2 3.29Å; H184-F336 AromaticContact CE1-CE2 3.72Å; H184-F336 AromaticContact ND1-CE2 3.15Å; H184-F336 WeakPolarHBondContact ND1-CE2 3.33Å; H184-F336 AromaticContact ND1-CZ 3.75Å; T256-F336 HydrophobicContact CG2-CD1 3.16Å; T256-F336 HydrophobicContact CG2-CE1 2.95Å; T256-F336 HydrophobicContact CG2-CG 4.25Å; T256-F336 HydrophobicContact CG2-CZ 3.87Å; T256-F336 WeakPolarHBondContact O-CZ 3.22Å; Q334-F336 PolarHBondContact O-N 3.07Å; F336-L338 PolarHBondContact O-N 3.02Å | ||
| 337 | S | 49.6 | Very low | 64.4 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -53 | 128.8 | 172.5 | 30.4 | 0 | 0 | 0 | 0 | 107.9 | P335 Y339 | P335-S337 PolarHBondContact O-N 3.15Å; S337-Y339 VanDerWaalsContact C-N 3.34Å; S337-Y339 WeakPolarHBondContact O-CD2 3.49Å; S337-Y339 PolarHBondContact O-N 3.18Å; S337-Y339 WeakPolarHBondContact OG-CE2 3.32Å; S337-Y339 PolarHBondContact OG-OH 3.1Å | ||
| 338 | L | 44.7 | Very low | 62.3 | Low | 108 Ų | 108 | 87 Ų | 87 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | trans | -65.4 | 94.4 | 179.7 | -122.5 | 145.4 | 0 | 0 | 0 | 107.9 | F336 V340 | F336-L338 PolarHBondContact O-N 3.02Å; L338-V340 HydrophobicContact CD2-CG2 4.06Å; L338-V340 PolarHBondContact O-N 3.47Å | ||
| 339 | Y | 46 | Very low | 60.5 | Low | 133 Ų | 133 | 86.4 Ų | 86.4 | 52% | 0.522 | 48% | 0.48 | S | S | . | . | trans | -83.4 | 105.3 | 165.5 | -63.5 | -77.9 | 0 | 0 | 0 | 106.8 | Y252 S337 | Y252-Y339 HydrophobicContact CE1-CD2 4.42Å; Y252-Y339 WeakPolarHBondContact OH-CD2 3.46Å; Y252-Y339 WeakPolarHBondContact OH-CE2 3.35Å; S337-Y339 VanDerWaalsContact C-N 3.34Å; S337-Y339 WeakPolarHBondContact O-CD2 3.49Å; S337-Y339 PolarHBondContact O-N 3.18Å; S337-Y339 WeakPolarHBondContact OG-CE2 3.32Å; S337-Y339 PolarHBondContact OG-OH 3.1Å | ||
| 340 | V | 38.1 | Very low | 58.2 | Low | 151 Ų | 151 | 88.4 Ų | 88.4 | 92% | 0.915 | 49% | 0.487 | S | S | * | . | trans | -76.9 | 0 | 175 | 178.2 | 0 | 0 | 0 | 0 | 110 | L338 | L338-V340 HydrophobicContact CD2-CG2 4.06Å; L338-V340 PolarHBondContact O-N 3.47Å |
Retrieved 340 of 340 residues in 103.1 ms
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