| 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 | 51 | Low | 63.2 | Low | 211 Ų | 211 | 134 Ų | 134 | 100% | 1.039 | 67% | 0.668 | S | S | * | * | 0 | -61.7 | 0 | -97.8 | 168.2 | 156.2 | 0 | 0 | 113.4 | S3 K4 | M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.95Å; M1-K4 PolarHBondContact O-N 2.79Å | |||
| 2 | F | 54.8 | Low | 64.4 | Low | 183 Ų | 183 | 130.5 Ų | 130.5 | 80% | 0.803 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -40.3 | -39.8 | -170 | -68.5 | -79.9 | 0 | 0 | 0 | 117.9 | K4 V5 R6 | F2-K4 VanDerWaalsContact C-N 3.28Å; F2-K4 PolarHBondContact O-N 3.36Å; F2-V5 PolarHBondContact O-N 3.22Å; F2-V5 VanDerWaalsContact O-N 3.08Å; F2-R6 PolarHBondContact O-N 3.31Å |
| 3 | S | 56.2 | Low | 65.5 | Low | 97 Ų | 97 | 128.1 Ų | 128.1 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.7 | -32.9 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 113.9 | M1 | M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.95Å |
| 4 | K | 56.1 | Low | 66.2 | Low | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.6 | -36.9 | 174.3 | -70.1 | -166.1 | 174.8 | -171.2 | 0 | 112.3 | M1 F2 R6 L7 C8 | M1-K4 PolarHBondContact O-N 2.79Å; F2-K4 VanDerWaalsContact C-N 3.28Å; F2-K4 PolarHBondContact O-N 3.36Å; K4-R6 VanDerWaalsContact C-N 3.34Å; K4-R6 PolarHBondContact O-N 3.08Å; K4-L7 PolarHBondContact O-N 2.73Å; K4-L7 VanDerWaalsContact O-N 3.17Å; K4-C8 PolarHBondContact O-N 2.79Å; K4-C8 PolarHBondContact O-SG 3.07Å |
| 5 | V | 59.1 | Low | 66.6 | Low | 87 Ų | 87 | 125.9 Ų | 125.9 | 53% | 0.527 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 179.2 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | F2 L7 C8 L9 | F2-V5 PolarHBondContact O-N 3.22Å; F2-V5 VanDerWaalsContact O-N 3.08Å; V5-L7 VanDerWaalsContact C-N 3.27Å; V5-L7 PolarHBondContact O-N 3.3Å; V5-C8 PolarHBondContact O-N 3.22Å; V5-L9 PolarHBondContact O-N 3.22Å |
| 6 | R | 62.4 | Low | 67.1 | Low | 217 Ų | 217 | 124.1 Ų | 124.1 | 82% | 0.819 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.7 | -26.7 | 174.7 | -98.3 | -173.4 | 173.7 | 177.3 | -1.7 | 114.2 | F2 K4 P10 | F2-R6 PolarHBondContact O-N 3.31Å; K4-R6 VanDerWaalsContact C-N 3.34Å; K4-R6 PolarHBondContact O-N 3.08Å; R6-P10 WeakPolarHBondContact O-CD 3.42Å |
| 7 | L | 63.5 | Low | 67.2 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.5 | -34.5 | 173.1 | -102.1 | 71.9 | 0 | 0 | 0 | 112.8 | K4 V5 P10 | K4-L7 PolarHBondContact O-N 2.73Å; K4-L7 VanDerWaalsContact O-N 3.17Å; V5-L7 VanDerWaalsContact C-N 3.27Å; V5-L7 PolarHBondContact O-N 3.3Å; L7-P10 WeakPolarHBondContact O-CD 3.37Å; L7-P10 WeakPolarHBondContact O-CG 3.4Å |
| 8 | C | 68.9 | Low | 67.1 | Low | 69 Ų | 69 | 121.5 Ų | 121.5 | 47% | 0.466 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -78.6 | -28.6 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | K4 V5 F11 I12 | K4-C8 PolarHBondContact O-N 2.79Å; K4-C8 PolarHBondContact O-SG 3.07Å; V5-C8 PolarHBondContact O-N 3.22Å; C8-F11 PolarHBondContact O-N 3.31Å; C8-F11 VanDerWaalsContact O-N 3.1Å; C8-I12 HydrophobicContact CB-CD1 4.31Å; C8-I12 WeakPolarHBondContact O-CG1 3.32Å; C8-I12 PolarHBondContact O-N 3.43Å |
| 9 | L | 72.9 | Confident | 66.9 | Low | 94 Ų | 94 | 120 Ų | 120 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -52.2 | -49.4 | -178.3 | -140 | 79.6 | 0 | 0 | 0 | 114.6 | V5 F11 I12 I13 | V5-L9 PolarHBondContact O-N 3.22Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.31Å; L9-I12 PolarHBondContact O-N 3.42Å; L9-I13 HydrophobicContact CG-CD1 4.44Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.16Å |
| 10 | P | 74 | Confident | 66.3 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.4 | -29.5 | 178.1 | 25.9 | -35.5 | 0 | 0 | 0 | 113.5 | R6 L7 L14 | R6-P10 WeakPolarHBondContact O-CD 3.42Å; L7-P10 WeakPolarHBondContact O-CD 3.37Å; L7-P10 WeakPolarHBondContact O-CG 3.4Å; P10-L14 VanDerWaalsContact O-CB 3.3Å; P10-L14 WeakPolarHBondContact O-CB 3.41Å; P10-L14 PolarHBondContact O-N 3.17Å |
| 11 | F | 76.7 | Confident | 65.7 | Low | 146 Ų | 146 | 115.8 Ų | 115.8 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.3 | -40.8 | 173 | -78.9 | -84 | 0 | 0 | 0 | 111.7 | C8 L9 I13 L14 E15 | C8-F11 PolarHBondContact O-N 3.31Å; C8-F11 VanDerWaalsContact O-N 3.1Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.31Å; F11-I13 VanDerWaalsContact C-N 3.35Å; F11-L14 PolarHBondContact O-N 3.36Å; F11-E15 WeakPolarHBondContact O-CB 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.47Å; F11-E15 PolarHBondContact O-N 3.02Å |
| 12 | I | 77.7 | Confident | 65.4 | Low | 92 Ų | 92 | 112.2 Ų | 112.2 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.9 | -41.1 | 175.5 | -65.7 | 165.1 | 0 | 0 | 0 | 110.5 | C8 L9 E15 I16 | C8-I12 HydrophobicContact CB-CD1 4.31Å; C8-I12 WeakPolarHBondContact O-CG1 3.32Å; C8-I12 PolarHBondContact O-N 3.43Å; L9-I12 PolarHBondContact O-N 3.42Å; I12-E15 PolarHBondContact O-N 2.84Å; I12-I16 HydrophobicContact CG2-CD1 3.86Å; I12-I16 WeakPolarHBondContact O-CB 3.5Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.32Å |
| 13 | I | 77.8 | Confident | 65 | Low | 99 Ų | 99 | 107.7 Ų | 107.7 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 174.2 | -67.9 | 164.9 | 0 | 0 | 0 | 110.6 | L9 F11 I16 F17 | L9-I13 HydrophobicContact CG-CD1 4.44Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.16Å; F11-I13 VanDerWaalsContact C-N 3.35Å; I13-I16 PolarHBondContact O-N 2.98Å; I13-F17 WeakPolarHBondContact O-CB 3.43Å; I13-F17 PolarHBondContact O-N 2.96Å |
| 14 | L | 75.8 | Confident | 64.6 | Low | 104 Ų | 104 | 111.9 Ų | 111.9 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -42.8 | 177.5 | -174.8 | 65.2 | 0 | 0 | 0 | 112.5 | P10 F11 F17 V18 | P10-L14 VanDerWaalsContact O-CB 3.3Å; P10-L14 WeakPolarHBondContact O-CB 3.41Å; P10-L14 PolarHBondContact O-N 3.17Å; F11-L14 PolarHBondContact O-N 3.36Å; L14-F17 PolarHBondContact O-N 2.99Å; L14-V18 WeakPolarHBondContact O-CB 3.26Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 3.16Å |
| 15 | E | 72.6 | Confident | 64.2 | Low | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -47.2 | 172.9 | -77 | -69 | 153.8 | 0 | 0 | 111.1 | F11 I12 F17 V18 I19 | F11-E15 WeakPolarHBondContact O-CB 3.24Å; F11-E15 WeakPolarHBondContact O-CG 3.47Å; F11-E15 PolarHBondContact O-N 3.02Å; I12-E15 PolarHBondContact O-N 2.84Å; E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.02Å; E15-V18 PolarHBondContact O-N 3.28Å; E15-I19 WeakPolarHBondContact O-CB 3.23Å; E15-I19 WeakPolarHBondContact O-CD1 3.46Å; E15-I19 WeakPolarHBondContact O-CG1 3.27Å; E15-I19 PolarHBondContact O-N 2.76Å |
| 16 | I | 73.8 | Confident | 64.1 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.5 | -41.6 | 174.5 | -69.7 | 166.5 | 0 | 0 | 0 | 110.8 | I12 I13 I19 C20 | I12-I16 HydrophobicContact CG2-CD1 3.86Å; I12-I16 WeakPolarHBondContact O-CB 3.5Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.46Å; I12-I16 PolarHBondContact O-N 3.32Å; I13-I16 PolarHBondContact O-N 2.98Å; I16-I19 PolarHBondContact O-N 3.46Å; I16-C20 WeakPolarHBondContact O-CB 3.19Å; I16-C20 PolarHBondContact O-N 2.81Å; I16-C20 PolarHBondContact O-SG 2.95Å; I16-C20 VanDerWaalsContact O-SG 3.36Å |
| 17 | F | 69.2 | Low | 64 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -41.4 | 178.1 | -144.9 | -85.5 | 0 | 0 | 0 | 111.9 | I13 L14 E15 C20 V21 | I13-F17 WeakPolarHBondContact O-CB 3.43Å; I13-F17 PolarHBondContact O-N 2.96Å; L14-F17 PolarHBondContact O-N 2.99Å; E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.02Å; F17-C20 PolarHBondContact O-N 3.41Å; F17-V21 HydrophobicContact CD1-CG2 3.9Å; F17-V21 HydrophobicContact CE1-CG2 4.05Å; F17-V21 VanDerWaalsContact O-CB 3.3Å; F17-V21 WeakPolarHBondContact O-CB 3.4Å; F17-V21 WeakPolarHBondContact O-CG2 2.99Å; F17-V21 PolarHBondContact O-N 2.71Å |
| 18 | V | 65.2 | Low | 63.9 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 37% | 0.37 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.3 | 169 | 0 | 0 | 0 | 0 | 111 | L14 E15 V21 Q22 | L14-V18 WeakPolarHBondContact O-CB 3.26Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 3.16Å; E15-V18 PolarHBondContact O-N 3.28Å; V18-V21 PolarHBondContact O-N 3.46Å; V18-Q22 WeakPolarHBondContact O-CB 3.39Å; V18-Q22 WeakPolarHBondContact O-CG 3.35Å; V18-Q22 PolarHBondContact O-N 3.26Å |
| 19 | I | 62.6 | Low | 63.7 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.9 | -69.3 | 163.8 | 0 | 0 | 0 | 110.1 | E15 I16 V21 Q22 S23 | E15-I19 WeakPolarHBondContact O-CB 3.23Å; E15-I19 WeakPolarHBondContact O-CD1 3.46Å; E15-I19 WeakPolarHBondContact O-CG1 3.27Å; E15-I19 PolarHBondContact O-N 2.76Å; I16-I19 PolarHBondContact O-N 3.46Å; I19-V21 PolarHBondContact O-N 3.17Å; I19-Q22 PolarHBondContact O-N 2.87Å; I19-S23 PolarHBondContact O-N 2.99Å; I19-S23 PolarHBondContact O-OG 2.95Å |
| 20 | C | 55.3 | Low | 63.1 | Low | 66 Ų | 66 | 100.6 Ų | 100.6 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.7 | -74.2 | 0 | 0 | 0 | 0 | 112.8 | I16 F17 Q22 S23 Y24 | I16-C20 WeakPolarHBondContact O-CB 3.19Å; I16-C20 PolarHBondContact O-N 2.81Å; I16-C20 PolarHBondContact O-SG 2.95Å; I16-C20 VanDerWaalsContact O-SG 3.36Å; F17-C20 PolarHBondContact O-N 3.41Å; C20-Q22 VanDerWaalsContact C-N 3.3Å; C20-Q22 PolarHBondContact O-N 3.16Å; C20-S23 PolarHBondContact O-N 3.21Å; C20-Y24 PolarHBondContact O-N 3.35Å |
| 21 | V | 53.1 | Low | 62.7 | Low | 86 Ų | 86 | 99.3 Ų | 99.3 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -32.2 | 176.3 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | F17 V18 I19 N25 | F17-V21 HydrophobicContact CD1-CG2 3.9Å; F17-V21 HydrophobicContact CE1-CG2 4.05Å; F17-V21 VanDerWaalsContact O-CB 3.3Å; F17-V21 WeakPolarHBondContact O-CB 3.4Å; F17-V21 WeakPolarHBondContact O-CG2 2.99Å; F17-V21 PolarHBondContact O-N 2.71Å; V18-V21 PolarHBondContact O-N 3.46Å; I19-V21 PolarHBondContact O-N 3.17Å; V21-N25 PolarHBondContact O-ND2 2.77Å |
| 22 | Q | 46.2 | Very low | 62.5 | Low | 135 Ų | 135 | 92.6 Ų | 92.6 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.1 | -36.1 | 172.1 | -73.6 | -175.8 | 16.2 | 0 | 0 | 112.6 | V18 I19 C20 Y24 N25 | V18-Q22 WeakPolarHBondContact O-CB 3.39Å; V18-Q22 WeakPolarHBondContact O-CG 3.35Å; V18-Q22 PolarHBondContact O-N 3.26Å; I19-Q22 PolarHBondContact O-N 2.87Å; C20-Q22 VanDerWaalsContact C-N 3.3Å; C20-Q22 PolarHBondContact O-N 3.16Å; Q22-Y24 VanDerWaalsContact C-N 3.29Å; Q22-Y24 PolarHBondContact O-N 2.91Å; Q22-N25 PolarHBondContact O-N 3.44Å |
| 23 | S | 45.5 | Very low | 62 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 62% | 0.622 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.7 | -23.2 | -179.6 | -65.4 | 0 | 0 | 0 | 0 | 114.9 | I19 C20 | I19-S23 PolarHBondContact O-N 2.99Å; I19-S23 PolarHBondContact O-OG 2.95Å; C20-S23 PolarHBondContact O-N 3.21Å |
| 24 | Y | 47.6 | Very low | 61.9 | Low | 185 Ų | 185 | 90.4 Ų | 90.4 | 73% | 0.725 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 8.3 | -178.5 | -80.2 | -77.1 | 0 | 0 | 0 | 115.3 | C20 Q22 F26 | C20-Y24 PolarHBondContact O-N 3.35Å; Q22-Y24 VanDerWaalsContact C-N 3.29Å; Q22-Y24 PolarHBondContact O-N 2.91Å; Y24-F26 PolarHBondContact O-N 2.86Å |
| 25 | N | 47.9 | Very low | 62.3 | Low | 119 Ų | 119 | 86.4 Ų | 86.4 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | trans | -75.3 | 90.1 | 169.1 | -75.7 | -60.6 | 0 | 0 | 0 | 110.8 | V21 Q22 | V21-N25 PolarHBondContact O-ND2 2.77Å; Q22-N25 PolarHBondContact O-N 3.44Å | ||
| 26 | F | 56.8 | Low | 63.1 | Low | 98 Ų | 98 | 82.8 Ų | 82.8 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | trans | -51.8 | 128.7 | 161.9 | -77.9 | -90.1 | 0 | 0 | 0 | 109.2 | Y24 Y35 F166 | Y24-F26 PolarHBondContact O-N 2.86Å; F26-Y35 AromaticContact CD1-CE2 3.94Å; F26-Y35 HydrophobicContact CD1-CE2 3.94Å; F26-F166 AromaticContact CD1-CE1 3.95Å; F26-F166 HydrophobicContact CD1-CE1 3.95Å; F26-F166 HydrophobicContact CD1-CZ 4.19Å; F26-F166 HydrophobicContact CE1-CD1 4.15Å; F26-F166 AromaticContact CE1-CE1 3.58Å; F26-F166 HydrophobicContact CE1-CE1 3.58Å; F26-F166 HydrophobicContact CE1-CZ 4.12Å | ||
| 27 | P | 60.1 | Low | 63.7 | Low | 53 Ų | 53 | 79.1 Ų | 79.1 | 34% | 0.344 | 41% | 0.413 | S | S | . | . | trans | -67.2 | 145.1 | -178.6 | 26.4 | -33.3 | 0 | 0 | 0 | 110.9 | S29 Y35 F164 | P27-S29 PolarHBondContact O-N 2.83Å; P27-Y35 WeakPolarHBondContact CD-OH 3.46Å; P27-Y35 WeakPolarHBondContact O-CE1 3.31Å; P27-Y35 PolarHBondContact O-OH 3.16Å; P27-F164 HydrophobicContact CG-CE1 3.49Å; P27-F164 VanDerWaalsContact CG-CE1 3.49Å; P27-F164 HydrophobicContact CG-CZ 3.58Å | ||
| 28 | E | 62 | Low | 64.7 | Low | 182 Ų | 182 | 72.7 Ų | 72.7 | 85% | 0.85 | 38% | 0.384 | S | S | * | . | trans | -58 | 112.6 | 175.4 | -66.1 | -165.5 | 151.2 | 0 | 0 | 110.5 | ||||
| 29 | S | 64.7 | Low | 65.6 | Low | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | trans | -74.4 | 131.3 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | P27 F31 F32 K177 | P27-S29 PolarHBondContact O-N 2.83Å; S29-F31 PolarHBondContact O-N 3.39Å; S29-F31 WeakPolarHBondContact OG-CB 3.33Å; S29-F31 PolarHBondContact OG-N 3.46Å; S29-F32 VanDerWaalsContact O-O 3.13Å; S29-F32 WeakPolarHBondContact OG-CD2 3.37Å; S29-F32 PolarHBondContact OG-N 2.91Å; S29-K177 WeakPolarHBondContact O-CD 3.32Å; S29-K177 PolarHBondContact O-NZ 3.06Å | ||
| 30 | P | 60.8 | Low | 66.7 | Low | 71 Ų | 71 | 72.3 Ų | 72.3 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -71.3 | -9.3 | 167.8 | 30.8 | -33.5 | 0 | 0 | 0 | 112 | K177 | P30-K177 WeakPolarHBondContact O-CB 3.35Š|
| 31 | F | 64.6 | Low | 68 | Low | 48 Ų | 48 | 72.4 Ų | 72.4 | 21% | 0.211 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -102.3 | -18.4 | -178.3 | -47 | -79.8 | 0 | 0 | 0 | 113.8 | S29 Y159 K177 P179 | S29-F31 PolarHBondContact O-N 3.39Å; S29-F31 WeakPolarHBondContact OG-CB 3.33Å; S29-F31 PolarHBondContact OG-N 3.46Å; F31-Y159 HydrophobicContact CB-CD1 3.9Å; F31-Y159 HydrophobicContact CB-CE1 4.18Å; F31-Y159 HydrophobicContact CD1-CD1 4.13Å; F31-Y159 AromaticContact CD2-CD1 3.47Å; F31-Y159 HydrophobicContact CD2-CD1 3.47Å; F31-Y159 VanDerWaalsContact CD2-CD1 3.47Å; F31-Y159 HydrophobicContact CD2-CE1 4.48Å; F31-Y159 HydrophobicContact CD2-CG 4.06Å; F31-Y159 AromaticContact CE2-CD1 3.94Å; F31-Y159 HydrophobicContact CE2-CD1 3.94Å; F31-Y159 HydrophobicContact CE2-CG 4.45Å; F31-Y159 WeakPolarHBondContact CE2-O 3.44Å; F31-Y159 AromaticContact CG-CD1 3.56Å; F31-Y159 HydrophobicContact CG-CD1 3.56Å; F31-Y159 HydrophobicContact CG-CE1 4.16Å; F31-Y159 HydrophobicContact CZ-CD1 4.45Å; F31-K177 PolarHBondContact O-N 3.42Å; F31-P179 HydrophobicContact CD1-CB 4.17Å; F31-P179 HydrophobicContact CE1-CB 4.25Å |
| 32 | F | 72 | Confident | 69.2 | Low | 5 Ų | 5 | 70.2 Ų | 70.2 | 2% | 0.022 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -137.1 | 138.8 | -176.6 | -51 | -56.8 | 0 | 0 | 0 | 113.7 | S29 Y35 Y159 V169 Y171 D175 K177 | S29-F32 VanDerWaalsContact O-O 3.13Å; S29-F32 WeakPolarHBondContact OG-CD2 3.37Å; S29-F32 PolarHBondContact OG-N 2.91Å; F32-Y35 HydrophobicContact CB-CD1 4.05Å; F32-Y35 HydrophobicContact CB-CG 4.44Å; F32-Y35 HydrophobicContact CD2-CD1 4.2Å; F32-Y35 HydrophobicContact CD2-CG 4.09Å; F32-Y159 HydrophobicContact CE2-CD1 4.14Å; F32-Y159 AromaticContact CE2-CD2 3.96Å; F32-Y159 HydrophobicContact CE2-CD2 3.96Å; F32-Y159 HydrophobicContact CE2-CE1 4.11Å; F32-Y159 AromaticContact CE2-CE2 3.98Å; F32-Y159 HydrophobicContact CE2-CE2 3.98Å; F32-Y159 HydrophobicContact CE2-CG 4.04Å; F32-Y159 HydrophobicContact CZ-CD1 4.15Å; F32-Y159 HydrophobicContact CZ-CD2 4.24Å; F32-Y159 AromaticContact CZ-CE1 3.66Å; F32-Y159 HydrophobicContact CZ-CE1 3.66Å; F32-Y159 AromaticContact CZ-CE2 3.8Å; F32-Y159 HydrophobicContact CZ-CE2 3.8Å; F32-Y159 HydrophobicContact CZ-CG 4.4Å; F32-Y159 AromaticContact CZ-CZ 3.47Å; F32-Y159 VanDerWaalsContact CZ-CZ 3.47Å; F32-V169 HydrophobicContact CE2-CG2 4.12Å; F32-Y171 HydrophobicContact CD1-CD1 4.08Å; F32-Y171 AromaticContact CD1-CD2 3.81Å; F32-Y171 HydrophobicContact CD1-CD2 3.81Å; F32-Y171 HydrophobicContact CD1-CE2 4.37Å; F32-Y171 AromaticContact CD1-CG 3.64Å; F32-Y171 HydrophobicContact CD1-CG 3.64Å; F32-Y171 AromaticContact CE1-CD1 3.34Å; F32-Y171 HydrophobicContact CE1-CD1 3.34Å; F32-Y171 AromaticContact CE1-CD2 3.46Å; F32-Y171 HydrophobicContact CE1-CD2 3.46Å; F32-Y171 VanDerWaalsContact CE1-CD2 3.46Å; F32-Y171 AromaticContact CE1-CE1 3.49Å; F32-Y171 HydrophobicContact CE1-CE1 3.49Å; F32-Y171 VanDerWaalsContact CE1-CE1 3.49Å; F32-Y171 AromaticContact CE1-CE2 3.64Å; F32-Y171 HydrophobicContact CE1-CE2 3.64Å; F32-Y171 AromaticContact CE1-CG 3.3Å; F32-Y171 HydrophobicContact CE1-CG 3.3Å; F32-Y171 AromaticContact CE1-CZ 3.62Å; F32-Y171 AromaticContact CE2-CD1 3.98Å; F32-Y171 HydrophobicContact CE2-CD1 3.98Å; F32-Y171 HydrophobicContact CE2-CE1 4.39Å; F32-Y171 HydrophobicContact CE2-CG 4.43Å; F32-Y171 HydrophobicContact CG-CG 4.36Å; F32-Y171 AromaticContact CZ-CD1 3.26Å; F32-Y171 HydrophobicContact CZ-CD1 3.26Å; F32-Y171 HydrophobicContact CZ-CD2 4.28Å; F32-Y171 AromaticContact CZ-CE1 3.36Å; F32-Y171 HydrophobicContact CZ-CE1 3.36Å; F32-Y171 HydrophobicContact CZ-CE2 4.38Å; F32-Y171 AromaticContact CZ-CG 3.74Å; F32-Y171 HydrophobicContact CZ-CG 3.74Å; F32-Y171 AromaticContact CZ-CZ 3.93Å; F32-D175 CarbonylContact C-O 3.39Å; F32-D175 WeakPolarHBondContact CA-O 3.39Å; F32-K177 WeakPolarHBondContact O-CD 3.3Å; F32-K177 WeakPolarHBondContact O-CE 3.32Å; F32-K177 PolarHBondContact O-NZ 3.1Å |
| 33 | S | 69.1 | Low | 70.3 | Confident | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.5 | -38.2 | 166.1 | 38.8 | 0 | 0 | 0 | 0 | 112 | D175 | S33-D175 PolarHBondContact N-O 3.5Å; S33-D175 WeakPolarHBondContact OG-CA 3.49Å; S33-D175 WeakPolarHBondContact OG-CB 3.22Å; S33-D175 PolarHBondContact OG-O 2.03Å; S33-D175 VanDerWaalsContact OG-O 3.12Å; S33-D175 PolarHBondContact OG-OD1 3.29Å |
| 34 | R | 75.2 | Confident | 71.2 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -143.6 | 132.6 | 178.8 | -149.7 | -177 | -70.9 | 165.1 | -6.8 | 108.9 | F68 D175 D692 | R34-F68 HydrophobicContact CB-CE1 4.49Å; R34-F68 HydrophobicContact CG-CD1 4.5Å; R34-F68 HydrophobicContact CG-CE1 4.12Å; R34-D175 HydrophobicContact CB-CB 4.28Å; R34-D175 WeakPolarHBondContact CB-OD1 3.21Å; R34-D175 WeakPolarHBondContact O-CB 3.27Å; R34-D692 IonicContact CZ-OD2 2.79Å; R34-D692 IonicContact NH2-OD1 3.65Å; R34-D692 PolarHBondContact NH2-OD1 3.3Å; R34-D692 IonicContact NH2-OD2 3.07Å; R34-D692 PolarHBondContact NH2-OD2 3.1Å |
| 35 | Y | 84 | Confident | 72.1 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.9 | 175.4 | 73.3 | -81.5 | 0 | 0 | 0 | 108.9 | F26 P27 F32 F160 F166 V169 I170 | F26-Y35 AromaticContact CD1-CE2 3.94Å; F26-Y35 HydrophobicContact CD1-CE2 3.94Å; P27-Y35 WeakPolarHBondContact CD-OH 3.46Å; P27-Y35 WeakPolarHBondContact O-CE1 3.31Å; P27-Y35 PolarHBondContact O-OH 3.16Å; F32-Y35 HydrophobicContact CB-CD1 4.05Å; F32-Y35 HydrophobicContact CB-CG 4.44Å; F32-Y35 HydrophobicContact CD2-CD1 4.2Å; F32-Y35 HydrophobicContact CD2-CG 4.09Å; Y35-F160 HydrophobicContact CE1-CZ 4.28Å; Y35-F160 AromaticContact CE2-CE2 3.91Å; Y35-F160 HydrophobicContact CE2-CE2 3.91Å; Y35-F160 AromaticContact CE2-CZ 3.79Å; Y35-F160 HydrophobicContact CE2-CZ 3.79Å; Y35-F160 AromaticContact CZ-CZ 3.61Å; Y35-F160 WeakPolarHBondContact OH-CZ 3.04Å; Y35-F166 HydrophobicContact CE2-CE2 4.42Å; Y35-F166 HydrophobicContact CE2-CZ 4.13Å; Y35-V169 HydrophobicContact CD2-CB 4.27Å; Y35-V169 HydrophobicContact CD2-CG1 3.73Å; Y35-V169 HydrophobicContact CE2-CG1 4.09Å; Y35-I170 WeakPolarHBondContact CA-O 3.43Å |
| 36 | D | 88.7 | Confident | 73 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.6 | 171.5 | -78.3 | 34.2 | 0 | 0 | 0 | 109.3 | F68 V169 I170 | D36-F68 HydrophobicContact CB-CZ 4.48Å; D36-F68 VanDerWaalsContact OD1-CD1 3.28Å; D36-F68 WeakPolarHBondContact OD1-CD1 3.32Å; D36-F68 VanDerWaalsContact OD1-CE1 3.26Å; D36-F68 WeakPolarHBondContact OD1-CE1 3.25Å; D36-F68 PolarHBondContact OD2-N 2.91Å; D36-V169 WeakPolarHBondContact O-CA 3.44Å; D36-I170 HydrophobicContact CB-CG2 3.75Å; D36-I170 PolarHBondContact N-O 3.42Å; D36-I170 PolarHBondContact O-N 3.04Å |
| 37 | G | 87.4 | Confident | 73.4 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | F166 | G37-F166 VanDerWaalsContact CA-CG 3.5Å |
| 38 | L | 89 | Confident | 73.6 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.6 | 173.5 | -60.5 | -172.5 | 0 | 0 | 0 | 110.5 | Y40 I65 N66 A67 I153 F166 H167 S168 I170 | L38-Y40 HydrophobicContact CB-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE1 4.44Å; L38-I65 HydrophobicContact CD1-CD1 4.22Å; L38-I65 HydrophobicContact CD1-CG2 3.63Å; L38-I65 HydrophobicContact CD2-CG2 3.5Å; L38-I65 HydrophobicContact CG-CG2 4.22Å; L38-N66 VanDerWaalsContact CD2-O 3.26Å; L38-N66 WeakPolarHBondContact CD2-O 3.42Å; L38-A67 HydrophobicContact CD2-CB 4.39Å; L38-I153 HydrophobicContact CD1-CD1 4.14Å; L38-I153 HydrophobicContact CD1-CG1 4.28Å; L38-I153 HydrophobicContact CD1-CG2 4.06Å; L38-F166 WeakPolarHBondContact O-CB 3.2Å; L38-H167 PolarHBondContact O-CE1 2.9Å; L38-H167 PolarHBondContact O-N 3.46Å; L38-H167 PolarHBondContact O-NE2 3.23Å; L38-S168 PolarHBondContact N-O 2.76Å; L38-S168 PolarHBondContact O-N 3.03Å; L38-I170 HydrophobicContact CD1-CB 3.96Å; L38-I170 HydrophobicContact CD1-CG2 4.12Å; L38-I170 HydrophobicContact CD2-CG2 3.79Å; L38-I170 HydrophobicContact CG-CB 4.13Å; L38-I170 HydrophobicContact CG-CG2 3.82Å |
| 39 | D | 85.3 | Confident | 73.9 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | trans | -133.8 | 99.9 | 172.3 | -150.9 | 55.6 | 0 | 0 | 0 | 109.7 | F166 H167 | D39-F166 HydrophobicContact CB-CB 4.21Å; D39-F166 WeakPolarHBondContact OD1-CA 3.05Å; D39-H167 IonicContact OD1-CD2 3.17Å; D39-H167 PolarHBondContact OD1-CD2 3.3Å; D39-H167 PolarHBondContact OD1-N 3.28Å | ||
| 40 | Y | 86.3 | Confident | 74 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | trans | -124.6 | 147.1 | 173.1 | 52.5 | -104.9 | 0 | 0 | 0 | 108.9 | L38 P42 L63 G127 F129 H167 | L38-Y40 HydrophobicContact CB-CE1 4.38Å; L38-Y40 HydrophobicContact CD1-CE1 4.44Å; Y40-P42 WeakPolarHBondContact O-CD 3.44Å; Y40-L63 HydrophobicContact CD1-CD1 4.12Å; Y40-L63 HydrophobicContact CD2-CD1 3.78Å; Y40-L63 HydrophobicContact CE1-CD1 4.03Å; Y40-L63 HydrophobicContact CE1-CD2 4.2Å; Y40-L63 HydrophobicContact CE1-CG 4.46Å; Y40-L63 HydrophobicContact CE2-CD1 3.69Å; Y40-L63 HydrophobicContact CE2-CD2 4.33Å; Y40-L63 HydrophobicContact CG-CD1 4.02Å; Y40-G127 WeakPolarHBondContact CE2-O 3.29Å; Y40-F129 PolarHBondContact OH-N 2.84Å; Y40-H167 AromaticContact CD1-CE1 3.91Å; Y40-H167 AromaticContact CD1-NE2 3.77Å; Y40-H167 AromaticContact CD2-NE2 3.78Å; Y40-H167 AromaticContact CE1-CE1 3.5Å; Y40-H167 AromaticContact CE1-NE2 3.84Å; Y40-H167 AromaticContact CE2-CE1 3.79Å; Y40-H167 AromaticContact CE2-NE2 3.83Å; Y40-H167 AromaticContact CG-NE2 3.73Å; Y40-H167 AromaticContact CZ-CE1 3.41Å; Y40-H167 VanDerWaalsContact CZ-CE1 3.41Å; Y40-H167 AromaticContact CZ-NE2 3.84Å; Y40-H167 PolarHBondContact N-NE2 2.91Å; Y40-H167 PolarHBondContact O-NE2 2.91Å | ||
| 41 | S | 82.5 | Confident | 74.3 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 47% | 0.469 | 30% | 0.304 | S | S | . | . | trans | -59 | 109.8 | -175 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | D43 S44 | S41-D43 VanDerWaalsContact C-N 3.29Å; S41-D43 PolarHBondContact O-N 3.01Å; S41-S44 PolarHBondContact O-N 2.85Å; S41-S44 PolarHBondContact O-OG 2.94Å | ||
| 42 | P | 77.9 | Confident | 74 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -30.5 | -174.9 | -20.8 | 35.2 | 0 | 0 | 0 | 111.7 | Y40 S44 F45 S46 G127 V128 | Y40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-S44 PolarHBondContact O-N 3.48Å; P42-F45 PolarHBondContact O-N 3.34Å; P42-S46 WeakPolarHBondContact O-CB 3.44Å; P42-S46 PolarHBondContact O-N 2.94Å; P42-G127 WeakPolarHBondContact O-CA 3.34Å; P42-V128 HydrophobicContact CB-CG2 4.27Å; P42-V128 HydrophobicContact CG-CG2 4.19Å |
| 43 | D | 69.8 | Low | 73.5 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 176.7 | -66.9 | -54.1 | 0 | 0 | 0 | 112.1 | S41 F45 S46 H47 | S41-D43 VanDerWaalsContact C-N 3.29Å; S41-D43 PolarHBondContact O-N 3.01Å; D43-F45 VanDerWaalsContact C-N 3.28Å; D43-F45 PolarHBondContact O-N 3.36Å; D43-S46 WeakPolarHBondContact O-CB 3.41Å; D43-S46 PolarHBondContact O-N 3.42Å; D43-H47 PolarHBondContact O-CD2 2.81Å; D43-H47 PolarHBondContact O-N 3.4Å |
| 44 | S | 63.1 | Low | 73.1 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 179 | 73 | 0 | 0 | 0 | 0 | 111.8 | S41 P42 H47 Q48 | S41-S44 PolarHBondContact O-N 2.85Å; S41-S44 PolarHBondContact O-OG 2.94Å; P42-S44 PolarHBondContact O-N 3.48Å; S44-H47 PolarHBondContact O-N 3.14Å; S44-Q48 PolarHBondContact O-N 3.16Å; S44-Q48 VanDerWaalsContact O-N 3.1Å |
| 45 | F | 67.6 | Low | 72.1 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.5 | -37.4 | 180 | -165.7 | -119.5 | 0 | 0 | 0 | 112 | P42 D43 H47 Q48 H49 I61 L63 L76 V124 G127 | P42-F45 PolarHBondContact O-N 3.34Å; D43-F45 VanDerWaalsContact C-N 3.28Å; D43-F45 PolarHBondContact O-N 3.36Å; F45-H47 VanDerWaalsContact C-N 3.31Å; F45-H47 PolarHBondContact O-N 2.95Å; F45-Q48 PolarHBondContact O-N 3.21Å; F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.44Å; F45-H49 PolarHBondContact O-N 2.76Å; F45-I61 HydrophobicContact CD2-CG2 3.71Å; F45-I61 HydrophobicContact CE2-CB 4.18Å; F45-I61 HydrophobicContact CE2-CG2 3.25Å; F45-I61 HydrophobicContact CZ-CG2 3.86Å; F45-L63 HydrophobicContact CD2-CB 4.37Å; F45-L63 HydrophobicContact CD2-CD1 4.03Å; F45-L63 HydrophobicContact CE1-CD2 4.16Å; F45-L63 HydrophobicContact CE2-CB 3.61Å; F45-L63 HydrophobicContact CE2-CD1 4.03Å; F45-L63 HydrophobicContact CE2-CD2 4.28Å; F45-L63 HydrophobicContact CE2-CG 4.17Å; F45-L63 HydrophobicContact CG-CD1 4.38Å; F45-L63 HydrophobicContact CZ-CB 3.92Å; F45-L63 HydrophobicContact CZ-CD1 4.36Å; F45-L63 HydrophobicContact CZ-CD2 3.86Å; F45-L63 HydrophobicContact CZ-CG 4.26Å; F45-L76 HydrophobicContact CZ-CD1 3.9Å; F45-V124 HydrophobicContact CD1-CG1 3.7Å; F45-V124 HydrophobicContact CE1-CB 4.09Å; F45-V124 HydrophobicContact CE1-CG1 3.37Å; F45-V124 HydrophobicContact CE1-CG2 3.54Å; F45-V124 HydrophobicContact CZ-CG1 4.39Å; F45-V124 HydrophobicContact CZ-CG2 3.94Å; F45-G127 VanDerWaalsContact CD1-O 3.28Å; F45-G127 WeakPolarHBondContact CD1-O 3.43Å |
| 46 | S | 65.5 | Low | 70.2 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 171.7 | -162 | 0 | 0 | 0 | 0 | 111.4 | P42 D43 K50 | P42-S46 WeakPolarHBondContact O-CB 3.44Å; P42-S46 PolarHBondContact O-N 2.94Å; D43-S46 WeakPolarHBondContact O-CB 3.41Å; D43-S46 PolarHBondContact O-N 3.42Å; S46-K50 VanDerWaalsContact O-CB 3.24Å; S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 VanDerWaalsContact O-CD 3.3Å; S46-K50 WeakPolarHBondContact O-CD 3.43Å; S46-K50 WeakPolarHBondContact O-CG 3.39Å; S46-K50 PolarHBondContact O-N 2.81Å; S46-K50 WeakPolarHBondContact OG-CE 3.45Å; S46-K50 PolarHBondContact OG-NZ 3.4Å |
| 47 | H | 66 | Low | 68.2 | Low | 129 Ų | 129 | 74.9 Ų | 74.9 | 60% | 0.597 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.7 | -43.1 | 173.8 | -82.2 | -74.5 | 0 | 0 | 0 | 112.5 | D43 S44 F45 R51 | D43-H47 PolarHBondContact O-CD2 2.81Å; D43-H47 PolarHBondContact O-N 3.4Å; S44-H47 PolarHBondContact O-N 3.14Å; F45-H47 VanDerWaalsContact C-N 3.31Å; F45-H47 PolarHBondContact O-N 2.95Å; H47-R51 VanDerWaalsContact O-CB 3.28Å; H47-R51 WeakPolarHBondContact O-CB 3.47Å; H47-R51 PolarHBondContact O-N 3.25Å |
| 48 | Q | 65.2 | Low | 66.6 | Low | 60 Ų | 60 | 77.4 Ų | 77.4 | 28% | 0.28 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.3 | -167.4 | -178.9 | 19.7 | 0 | 0 | 111.9 | S44 F45 R51 T52 N60 I61 I62 | S44-Q48 PolarHBondContact O-N 3.16Å; S44-Q48 VanDerWaalsContact O-N 3.1Å; F45-Q48 PolarHBondContact O-N 3.21Å; Q48-R51 PolarHBondContact O-N 2.89Å; Q48-T52 WeakPolarHBondContact O-CB 3.4Å; Q48-T52 PolarHBondContact O-N 2.92Å; Q48-T52 PolarHBondContact O-OG1 3.24Å; Q48-N60 PolarHBondContact NE2-O 2.93Å; Q48-I61 HydrophobicContact CB-CG2 4.07Å; Q48-I61 HydrophobicContact CG-CG2 3.84Å; Q48-I62 VanDerWaalsContact OE1-N 3.12Å; Q48-I62 PolarHBondContact OE1-O 3.46Å |
| 49 | H | 66.8 | Low | 65.1 | Low | 19 Ų | 19 | 78.9 Ų | 78.9 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 175.7 | -177.1 | 85.8 | 0 | 0 | 0 | 111.8 | F45 R51 T52 R53 I61 D105 | F45-H49 VanDerWaalsContact O-CB 3.23Å; F45-H49 WeakPolarHBondContact O-CB 3.44Å; F45-H49 PolarHBondContact O-N 2.76Å; H49-R51 VanDerWaalsContact C-N 3.27Å; H49-R51 PolarHBondContact O-N 3.47Å; H49-T52 WeakPolarHBondContact O-CB 3.29Å; H49-T52 PolarHBondContact O-N 2.98Å; H49-R53 WeakPolarHBondContact O-CB 3.35Å; H49-R53 PolarHBondContact O-N 2.04Å; H49-I61 HydrophobicContact CB-CD1 4.12Å; H49-I61 VanDerWaalsContact ND1-CD1 3.29Å; H49-I61 WeakPolarHBondContact ND1-CD1 3.37Å; H49-D105 PolarHBondContact CE1-O 3.05Å; H49-D105 PolarHBondContact NE2-O 2.96Å |
| 50 | K | 67.8 | Low | 64.3 | Low | 100 Ų | 100 | 74.3 Ų | 74.3 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -31.6 | 175.2 | -72.8 | 162.2 | -178 | 155.4 | 0 | 112.8 | S46 R54 | S46-K50 VanDerWaalsContact O-CB 3.24Å; S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 VanDerWaalsContact O-CD 3.3Å; S46-K50 WeakPolarHBondContact O-CD 3.43Å; S46-K50 WeakPolarHBondContact O-CG 3.39Å; S46-K50 PolarHBondContact O-N 2.81Å; S46-K50 WeakPolarHBondContact OG-CE 3.45Å; S46-K50 PolarHBondContact OG-NZ 3.4Å; K50-R54 WeakPolarHBondContact O-CG 3.2Å; K50-R54 PolarHBondContact O-N 3.27Å |
| 51 | R | 65.8 | Low | 63.8 | Low | 199 Ų | 199 | 72.8 Ų | 72.8 | 75% | 0.751 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.9 | -48.5 | 172.8 | -177.7 | 177.5 | 179.3 | 176.5 | -0.4 | 111.2 | H47 Q48 H49 R53 R54 S55 | H47-R51 VanDerWaalsContact O-CB 3.28Å; H47-R51 WeakPolarHBondContact O-CB 3.47Å; H47-R51 PolarHBondContact O-N 3.25Å; Q48-R51 PolarHBondContact O-N 2.89Å; H49-R51 VanDerWaalsContact C-N 3.27Å; H49-R51 PolarHBondContact O-N 3.47Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.92Å; R51-R54 PolarHBondContact O-N 3.23Å; R51-S55 PolarHBondContact O-N 3.01Å |
| 52 | T | 60 | Low | 63.8 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.4 | -47.4 | 175.2 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | Q48 H49 R54 S55 T59 I61 P78 | Q48-T52 WeakPolarHBondContact O-CB 3.4Å; Q48-T52 PolarHBondContact O-N 2.92Å; Q48-T52 PolarHBondContact O-OG1 3.24Å; H49-T52 WeakPolarHBondContact O-CB 3.29Å; H49-T52 PolarHBondContact O-N 2.98Å; T52-R54 PolarHBondContact O-N 3.11Å; T52-R54 VanDerWaalsContact O-N 3.14Å; T52-S55 PolarHBondContact O-N 2.93Å; T52-S55 VanDerWaalsContact O-N 3.08Å; T52-T59 WeakPolarHBondContact CA-OG1 3.22Å; T52-T59 WeakPolarHBondContact CG2-O 3.33Å; T52-T59 PolarHBondContact OG1-O 2.81Å; T52-T59 PolarHBondContact OG1-OG1 2.99Å; T52-I61 HydrophobicContact CG2-CG1 4.26Å; T52-P78 HydrophobicContact CG2-CG 4.36Å |
| 53 | R | 60.9 | Low | 64.2 | Low | 150 Ų | 150 | 71.4 Ų | 71.4 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.2 | 178.4 | -156.7 | -172.5 | 78.9 | 179 | 8.5 | 114.6 | H49 R51 D105 | H49-R53 WeakPolarHBondContact O-CB 3.35Å; H49-R53 PolarHBondContact O-N 2.04Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.92Å; R53-D105 WeakPolarHBondContact CD-OD2 3.14Å; R53-D105 HydrophobicContact CG-CB 4.48Å; R53-D105 IonicContact CZ-OD2 2.71Å; R53-D105 IonicContact NE-OD2 2.76Å; R53-D105 IonicContact NH1-OD2 2.92Å; R53-D105 PolarHBondContact NH1-OD2 3.22Å |
| 54 | R | 60.7 | Low | 65 | Low | 214 Ų | 214 | 69.3 Ų | 69.3 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -10.6 | 177.8 | -71.3 | 176 | -179.9 | -174.6 | 0.4 | 113.3 | K50 R51 T52 | K50-R54 WeakPolarHBondContact O-CG 3.2Å; K50-R54 PolarHBondContact O-N 3.27Å; R51-R54 PolarHBondContact O-N 3.23Å; T52-R54 PolarHBondContact O-N 3.11Å; T52-R54 VanDerWaalsContact O-N 3.14Å |
| 55 | S | 53.2 | Low | 66.2 | Low | 43 Ų | 43 | 66 Ų | 66 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | trans | -88.9 | 131 | -175.3 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | R51 T52 S57 | R51-S55 PolarHBondContact O-N 3.01Å; T52-S55 PolarHBondContact O-N 2.93Å; T52-S55 VanDerWaalsContact O-N 3.08Å; S55-S57 WeakPolarHBondContact CB-O 3.39Å; S55-S57 PolarHBondContact O-N 2.75Å; S55-S57 PolarHBondContact OG-N 2.79Å; S55-S57 PolarHBondContact OG-O 3.05Å; S55-S57 PolarHBondContact OG-OG 2.68Å; S55-S57 VanDerWaalsContact OG-OG 3.12Å | ||
| 56 | T | 45.5 | Very low | 67.1 | Low | 147 Ų | 147 | 71.2 Ų | 71.2 | 90% | 0.902 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.3 | -28.9 | 171.6 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 57 | S | 46.6 | Very low | 68 | Low | 22 Ų | 22 | 70.6 Ų | 70.6 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -85.5 | 112.8 | 162.8 | 70.9 | 0 | 0 | 0 | 0 | 109.6 | S55 T59 T603 N606 | S55-S57 WeakPolarHBondContact CB-O 3.39Å; S55-S57 PolarHBondContact O-N 2.75Å; S55-S57 PolarHBondContact OG-N 2.79Å; S55-S57 PolarHBondContact OG-O 3.05Å; S55-S57 PolarHBondContact OG-OG 2.68Å; S55-S57 VanDerWaalsContact OG-OG 3.12Å; S57-T59 VanDerWaalsContact C-N 3.27Å; S57-T59 PolarHBondContact O-N 3.5Å; S57-T603 WeakPolarHBondContact CB-OG1 3.35Å; S57-N606 VanDerWaalsContact CB-OD1 3.26Å; S57-N606 WeakPolarHBondContact CB-OD1 3.19Å |
| 58 | K | 52.8 | Low | 68.7 | Low | 73 Ų | 73 | 66.9 Ų | 66.9 | 32% | 0.317 | 32% | 0.317 | S | S | . | . | trans | -61.3 | 75.5 | 177.5 | -59.8 | 179.2 | 175.8 | -171 | 0 | 112.9 | Y80 N606 | K58-Y80 HydrophobicContact CD-CD2 4.5Å; K58-Y80 HydrophobicContact CD-CE2 3.83Å; K58-Y80 VanDerWaalsContact NZ-CE2 3.26Å; K58-N606 VanDerWaalsContact C-CG 3.46Å; K58-N606 VanDerWaalsContact C-ND2 3.34Å; K58-N606 WeakPolarHBondContact CA-ND2 3.48Å; K58-N606 PolarHBondContact N-ND2 3.31Å; K58-N606 VanDerWaalsContact N-ND2 3.15Å; K58-N606 PolarHBondContact N-OD1 3.49Å; K58-N606 PolarHBondContact O-ND2 3.45Å; K58-N606 PolarHBondContact O-OD1 2.84Å | ||
| 59 | T | 57.9 | Low | 69.2 | Low | 37 Ų | 37 | 68.3 Ų | 68.3 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.8 | -176.7 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | T52 S57 N606 | T52-T59 WeakPolarHBondContact CA-OG1 3.22Å; T52-T59 WeakPolarHBondContact CG2-O 3.33Å; T52-T59 PolarHBondContact OG1-O 2.81Å; T52-T59 PolarHBondContact OG1-OG1 2.99Å; S57-T59 VanDerWaalsContact C-N 3.27Å; S57-T59 PolarHBondContact O-N 3.5Å; T59-N606 PolarHBondContact N-OD1 2.98Å |
| 60 | N | 69.5 | Low | 69.7 | Low | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -67 | 145 | 173.4 | -68.4 | -23.5 | 0 | 0 | 0 | 111.4 | Q48 V75 L76 Q590 | Q48-N60 PolarHBondContact NE2-O 2.93Å; N60-V75 HydrophobicContact CB-CG1 3.71Å; N60-V75 VanDerWaalsContact ND2-CG1 3.29Å; N60-V75 WeakPolarHBondContact ND2-CG1 3.25Å; N60-L76 WeakPolarHBondContact CA-O 2.99Å; N60-Q590 PolarHBondContact ND2-OE1 3.26Å; N60-Q590 PolarHBondContact OD1-NE2 3.18Å |
| 61 | I | 74.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.3 | 170.7 | -34.1 | 177.4 | 0 | 0 | 0 | 106.8 | F45 Q48 H49 T52 L76 | F45-I61 HydrophobicContact CD2-CG2 3.71Å; F45-I61 HydrophobicContact CE2-CB 4.18Å; F45-I61 HydrophobicContact CE2-CG2 3.25Å; F45-I61 HydrophobicContact CZ-CG2 3.86Å; Q48-I61 HydrophobicContact CB-CG2 4.07Å; Q48-I61 HydrophobicContact CG-CG2 3.84Å; H49-I61 HydrophobicContact CB-CD1 4.12Å; H49-I61 VanDerWaalsContact ND1-CD1 3.29Å; H49-I61 WeakPolarHBondContact ND1-CD1 3.37Å; T52-I61 HydrophobicContact CG2-CG1 4.26Å; I61-L76 HydrophobicContact CB-CB 4.36Å; I61-L76 PolarHBondContact N-O 2.77Å; I61-L76 PolarHBondContact O-N 3.27Å |
| 62 | I | 82 | Confident | 71.3 | Confident | 74 Ų | 74 | 62.8 Ų | 62.8 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.1 | -172.5 | -58.9 | 177.6 | 0 | 0 | 0 | 108.3 | Q48 P64 Q73 L74 | Q48-I62 VanDerWaalsContact OE1-N 3.12Å; Q48-I62 PolarHBondContact OE1-O 3.46Å; I62-P64 WeakPolarHBondContact O-CD 3.05Å; I62-Q73 HydrophobicContact CG2-CG 3.7Å; I62-L74 WeakPolarHBondContact CA-O 3.26Å |
| 63 | L | 86.5 | Confident | 72.6 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 99.6 | -179.6 | -173.4 | 53.9 | 0 | 0 | 0 | 110.7 | Y40 F45 I65 L74 L76 F129 | Y40-L63 HydrophobicContact CD1-CD1 4.12Å; Y40-L63 HydrophobicContact CD2-CD1 3.78Å; Y40-L63 HydrophobicContact CE1-CD1 4.03Å; Y40-L63 HydrophobicContact CE1-CD2 4.2Å; Y40-L63 HydrophobicContact CE1-CG 4.46Å; Y40-L63 HydrophobicContact CE2-CD1 3.69Å; Y40-L63 HydrophobicContact CE2-CD2 4.33Å; Y40-L63 HydrophobicContact CG-CD1 4.02Å; F45-L63 HydrophobicContact CD2-CB 4.37Å; F45-L63 HydrophobicContact CD2-CD1 4.03Å; F45-L63 HydrophobicContact CE1-CD2 4.16Å; F45-L63 HydrophobicContact CE2-CB 3.61Å; F45-L63 HydrophobicContact CE2-CD1 4.03Å; F45-L63 HydrophobicContact CE2-CD2 4.28Å; F45-L63 HydrophobicContact CE2-CG 4.17Å; F45-L63 HydrophobicContact CG-CD1 4.38Å; F45-L63 HydrophobicContact CZ-CB 3.92Å; F45-L63 HydrophobicContact CZ-CD1 4.36Å; F45-L63 HydrophobicContact CZ-CD2 3.86Å; F45-L63 HydrophobicContact CZ-CG 4.26Å; L63-I65 HydrophobicContact CD2-CD1 3.92Å; L63-I65 HydrophobicContact CD2-CG1 4.31Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; L63-I65 HydrophobicContact CG-CG1 3.83Å; L63-L74 HydrophobicContact CB-CB 4.23Å; L63-L74 HydrophobicContact CD2-CD1 4.39Å; L63-L74 PolarHBondContact N-O 3.41Å; L63-L74 PolarHBondContact O-N 2.89Å; L63-L76 HydrophobicContact CB-CD1 4.31Å; L63-F129 HydrophobicContact CD2-CB 3.49Å; L63-F129 VanDerWaalsContact CD2-CB 3.49Å; L63-F129 HydrophobicContact CD2-CG 4.16Å |
| 64 | P | 87.5 | Confident | 73.9 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.4 | 169.2 | 30.3 | -32.8 | 0 | 0 | 0 | 110.4 | I62 F71 F72 | I62-P64 WeakPolarHBondContact O-CD 3.05Å; P64-F71 HydrophobicContact CB-CE2 3.69Å; P64-F71 HydrophobicContact CB-CZ 3.73Å; P64-F72 CarbonylContact C-O 3.54Å |
| 65 | I | 88.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.6 | -178.1 | -58 | -172 | 0 | 0 | 0 | 108.8 | L38 L63 A67 F72 L74 I153 | L38-I65 HydrophobicContact CD1-CD1 4.22Å; L38-I65 HydrophobicContact CD1-CG2 3.63Å; L38-I65 HydrophobicContact CD2-CG2 3.5Å; L38-I65 HydrophobicContact CG-CG2 4.22Å; L63-I65 HydrophobicContact CD2-CD1 3.92Å; L63-I65 HydrophobicContact CD2-CG1 4.31Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; L63-I65 HydrophobicContact CG-CG1 3.83Å; I65-A67 HydrophobicContact CG2-CB 4.43Å; I65-F72 HydrophobicContact CB-CB 4.49Å; I65-F72 PolarHBondContact N-O 3.04Å; I65-F72 PolarHBondContact O-N 2.91Å; I65-L74 HydrophobicContact CD1-CD1 3.55Å; I65-L74 HydrophobicContact CD1-CG 4.03Å; I65-I153 HydrophobicContact CD1-CD1 3.63Å |
| 66 | N | 86.5 | Confident | 76.4 | Confident | 115 Ų | 115 | 46.4 Ų | 46.4 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.8 | 166.5 | -78.1 | -47.8 | 0 | 0 | 0 | 109.6 | L38 K70 F71 | L38-N66 VanDerWaalsContact CD2-O 3.26Å; L38-N66 WeakPolarHBondContact CD2-O 3.42Å; N66-K70 WeakPolarHBondContact CA-O 3.41Å; N66-F71 WeakPolarHBondContact OD1-CD2 3.19Å |
| 67 | A | 84.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 138 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L38 I65 G69 K70 F72 I170 | L38-A67 HydrophobicContact CD2-CB 4.39Å; I65-A67 HydrophobicContact CG2-CB 4.43Å; A67-G69 PolarHBondContact O-N 3.37Å; A67-K70 PolarHBondContact N-O 2.81Å; A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.03Å; A67-F72 HydrophobicContact CB-CD2 4.39Å; A67-F72 HydrophobicContact CB-CE2 4.18Å; A67-I170 HydrophobicContact CB-CD1 3.88Å; A67-I170 HydrophobicContact CB-CG2 3.56Å |
| 68 | F | 80.8 | Confident | 79.3 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.4 | -179.5 | -51.4 | -75 | 0 | 0 | 0 | 113.1 | R34 D36 K70 Y151 I170 | R34-F68 HydrophobicContact CB-CE1 4.49Å; R34-F68 HydrophobicContact CG-CD1 4.5Å; R34-F68 HydrophobicContact CG-CE1 4.12Å; D36-F68 HydrophobicContact CB-CZ 4.48Å; D36-F68 VanDerWaalsContact OD1-CD1 3.28Å; D36-F68 WeakPolarHBondContact OD1-CD1 3.32Å; D36-F68 VanDerWaalsContact OD1-CE1 3.26Å; D36-F68 WeakPolarHBondContact OD1-CE1 3.25Å; D36-F68 PolarHBondContact OD2-N 2.91Å; F68-K70 PolarHBondContact O-N 2.03Å; F68-Y151 AromaticContact CD2-CD1 4Å; F68-Y151 HydrophobicContact CD2-CD1 4Å; F68-Y151 AromaticContact CD2-CE1 3.41Å; F68-Y151 HydrophobicContact CD2-CE1 3.41Å; F68-Y151 VanDerWaalsContact CD2-CE1 3.41Å; F68-Y151 AromaticContact CE2-CD1 3.7Å; F68-Y151 HydrophobicContact CE2-CD1 3.7Å; F68-Y151 AromaticContact CE2-CE1 3.57Å; F68-Y151 HydrophobicContact CE2-CE1 3.57Å; F68-Y151 HydrophobicContact CG-CE1 4.36Å; F68-I170 HydrophobicContact CE2-CG1 4.3Å; F68-I170 HydrophobicContact CE2-CG2 4.12Å; F68-I170 WeakPolarHBondContact CZ-O 3.42Å |
| 69 | G | 76.1 | Confident | 80.6 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 93% | 0.928 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 7.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | A67 | A67-G69 PolarHBondContact O-N 3.37Š|
| 70 | K | 77.2 | Confident | 81.3 | Confident | 80 Ų | 80 | 41 Ų | 41 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.2 | 177.8 | -59.7 | 172.2 | -179.3 | 179.8 | 0 | 110.5 | N66 A67 F68 F72 Y151 | N66-K70 WeakPolarHBondContact CA-O 3.41Å; A67-K70 PolarHBondContact N-O 2.81Å; A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.03Å; F68-K70 PolarHBondContact O-N 2.03Å; K70-F72 HydrophobicContact CB-CD2 4.38Å; K70-F72 HydrophobicContact CB-CE1 4.17Å; K70-F72 HydrophobicContact CB-CE2 3.78Å; K70-F72 HydrophobicContact CB-CZ 3.69Å; K70-F72 HydrophobicContact CD-CE1 4.03Å; K70-F72 HydrophobicContact CD-CE2 4.25Å; K70-F72 HydrophobicContact CD-CZ 3.47Å; K70-F72 VanDerWaalsContact CD-CZ 3.47Å; K70-F72 HydrophobicContact CG-CZ 4.25Å; K70-Y151 PolarHBondContact NZ-OH 3.48Å |
| 71 | F | 83.4 | Confident | 81.3 | Confident | 118 Ų | 118 | 43.1 Ų | 43.1 | 52% | 0.518 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.6 | 165.2 | 179.8 | -96.3 | 0 | 0 | 0 | 109.2 | P64 N66 Q73 | P64-F71 HydrophobicContact CB-CE2 3.69Å; P64-F71 HydrophobicContact CB-CZ 3.73Å; N66-F71 WeakPolarHBondContact OD1-CD2 3.19Å; F71-Q73 HydrophobicContact CE1-CB 3.91Å; F71-Q73 HydrophobicContact CZ-CB 4.45Å |
| 72 | F | 84.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.5 | 175.8 | -59.3 | -70.4 | 0 | 0 | 0 | 109.1 | P64 I65 A67 K70 L74 V112 L135 Y151 | P64-F72 CarbonylContact C-O 3.54Å; I65-F72 HydrophobicContact CB-CB 4.49Å; I65-F72 PolarHBondContact N-O 3.04Å; I65-F72 PolarHBondContact O-N 2.91Å; A67-F72 HydrophobicContact CB-CD2 4.39Å; A67-F72 HydrophobicContact CB-CE2 4.18Å; K70-F72 HydrophobicContact CB-CD2 4.38Å; K70-F72 HydrophobicContact CB-CE1 4.17Å; K70-F72 HydrophobicContact CB-CE2 3.78Å; K70-F72 HydrophobicContact CB-CZ 3.69Å; K70-F72 HydrophobicContact CD-CE1 4.03Å; K70-F72 HydrophobicContact CD-CE2 4.25Å; K70-F72 HydrophobicContact CD-CZ 3.47Å; K70-F72 VanDerWaalsContact CD-CZ 3.47Å; K70-F72 HydrophobicContact CG-CZ 4.25Å; F72-L74 HydrophobicContact CB-CD2 4.34Å; F72-V112 HydrophobicContact CB-CG1 4.15Å; F72-V112 HydrophobicContact CD1-CG1 4.15Å; F72-L135 HydrophobicContact CD1-CD2 4Å; F72-L135 HydrophobicContact CE1-CD1 3.96Å; F72-L135 HydrophobicContact CE1-CD2 3.75Å; F72-L135 HydrophobicContact CE1-CG 4.41Å; F72-Y151 HydrophobicContact CE1-CE2 4.38Å; F72-Y151 HydrophobicContact CE2-CE2 4.39Å; F72-Y151 HydrophobicContact CZ-CD2 4.42Å; F72-Y151 AromaticContact CZ-CE2 3.69Å; F72-Y151 HydrophobicContact CZ-CE2 3.69Å; F72-Y151 AromaticContact CZ-CZ 3.92Å |
| 73 | Q | 86.3 | Confident | 81.7 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 97.9 | 176.1 | 178.1 | 163.9 | -56.9 | 0 | 0 | 108.4 | I62 F71 V75 D113 | I62-Q73 HydrophobicContact CG2-CG 3.7Å; F71-Q73 HydrophobicContact CE1-CB 3.91Å; F71-Q73 HydrophobicContact CZ-CB 4.45Å; Q73-V75 PolarHBondContact O-N 3.35Å; Q73-D113 HydrophobicContact CB-CB 3.99Å; Q73-D113 HydrophobicContact CG-CB 4.06Å; Q73-D113 PolarHBondContact NE2-OD2 2.84Å; Q73-D113 WeakPolarHBondContact O-CB 3.35Å; Q73-D113 PolarHBondContact O-N 3.17Å |
| 74 | L | 87.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.1 | -179.9 | -43.6 | -175.5 | 0 | 0 | 0 | 109 | I62 L63 I65 F72 L76 V112 V120 F129 V133 I153 | I62-L74 WeakPolarHBondContact CA-O 3.26Å; L63-L74 HydrophobicContact CB-CB 4.23Å; L63-L74 HydrophobicContact CD2-CD1 4.39Å; L63-L74 PolarHBondContact N-O 3.41Å; L63-L74 PolarHBondContact O-N 2.89Å; I65-L74 HydrophobicContact CD1-CD1 3.55Å; I65-L74 HydrophobicContact CD1-CG 4.03Å; F72-L74 HydrophobicContact CB-CD2 4.34Å; L74-L76 HydrophobicContact CB-CD1 4.29Å; L74-L76 HydrophobicContact CB-CD2 4.47Å; L74-L76 HydrophobicContact CB-CG 4.11Å; L74-V112 HydrophobicContact CD2-CB 4.47Å; L74-V112 HydrophobicContact CD2-CG1 4.31Å; L74-V112 HydrophobicContact CD2-CG2 3.74Å; L74-V120 HydrophobicContact CD1-CG1 4.32Å; L74-V120 HydrophobicContact CD2-CG2 4.22Å; L74-F129 HydrophobicContact CD1-CD1 4.38Å; L74-F129 HydrophobicContact CD1-CE1 4.34Å; L74-V133 HydrophobicContact CD1-CG2 3.85Å; L74-V133 HydrophobicContact CD2-CG1 3.98Å; L74-V133 HydrophobicContact CD2-CG2 3.99Å; L74-I153 HydrophobicContact CD1-CD1 4.46Å |
| 75 | V | 83.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 104.9 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | N60 Q73 G110 Y111 D113 | N60-V75 HydrophobicContact CB-CG1 3.71Å; N60-V75 VanDerWaalsContact ND2-CG1 3.29Å; N60-V75 WeakPolarHBondContact ND2-CG1 3.25Å; Q73-V75 PolarHBondContact O-N 3.35Å; V75-G110 WeakPolarHBondContact O-CA 3.05Å; V75-Y111 HydrophobicContact CB-CD1 4.45Å; V75-Y111 HydrophobicContact CB-CD2 4.17Å; V75-Y111 HydrophobicContact CB-CE1 4.06Å; V75-Y111 HydrophobicContact CB-CE2 3.76Å; V75-Y111 HydrophobicContact CB-CG 4.49Å; V75-Y111 HydrophobicContact CG1-CE1 3.97Å; V75-Y111 HydrophobicContact CG1-CE2 4.23Å; V75-Y111 HydrophobicContact CG2-CD2 4.37Å; V75-Y111 HydrophobicContact CG2-CE2 3.8Å; V75-Y111 PolarHBondContact N-O 2.92Å; V75-Y111 PolarHBondContact O-N 2.79Å; V75-D113 HydrophobicContact CG2-CB 4Å |
| 76 | L | 83.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.2 | -169.1 | -65.2 | 168.6 | 0 | 0 | 0 | 111.3 | F45 N60 I61 L63 L74 V108 V120 F129 | F45-L76 HydrophobicContact CZ-CD1 3.9Å; N60-L76 WeakPolarHBondContact CA-O 2.99Å; I61-L76 HydrophobicContact CB-CB 4.36Å; I61-L76 PolarHBondContact N-O 2.77Å; I61-L76 PolarHBondContact O-N 3.27Å; L63-L76 HydrophobicContact CB-CD1 4.31Å; L74-L76 HydrophobicContact CB-CD1 4.29Å; L74-L76 HydrophobicContact CB-CD2 4.47Å; L74-L76 HydrophobicContact CB-CG 4.11Å; L76-V108 HydrophobicContact CD2-CB 4.47Å; L76-V108 HydrophobicContact CD2-CG2 4.2Å; L76-V120 HydrophobicContact CD2-CB 4.18Å; L76-V120 HydrophobicContact CD2-CG1 3.59Å; L76-F129 HydrophobicContact CD1-CD2 3.77Å; L76-F129 HydrophobicContact CD1-CE2 4.12Å; L76-F129 HydrophobicContact CD2-CD2 4.47Å; L76-F129 HydrophobicContact CD2-CE2 3.97Å |
| 77 | S | 76.1 | Confident | 80.3 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.7 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | D79 V108 R109 | S77-D79 PolarHBondContact O-N 2.58Å; S77-V108 CarbonylContact O-C 3.56Å; S77-V108 WeakPolarHBondContact O-CA 3.47Å; S77-V108 WeakPolarHBondContact O-CB 3.4Å; S77-R109 PolarHBondContact N-O 3.4Å; S77-R109 PolarHBondContact O-N 2.84Å; S77-R109 PolarHBondContact OG-O 2.71Å |
| 78 | P | 77.3 | Confident | 80.4 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.1 | 178.3 | -14.8 | 29.1 | 0 | 0 | 0 | 111.5 | T52 Y80 V107 | T52-P78 HydrophobicContact CG2-CG 4.36Å; P78-Y80 HydrophobicContact CB-CD2 4.3Å; P78-Y80 HydrophobicContact CB-CE1 4.43Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CG-CE2 4.16Å; P78-Y80 WeakPolarHBondContact O-CD2 3.39Å; P78-Y80 WeakPolarHBondContact O-CE2 3.48Å; P78-Y80 PolarHBondContact O-N 3.25Å; P78-V107 CarbonylContact C-O 3.55Å; P78-V107 WeakPolarHBondContact CA-O 3.07Å |
| 79 | D | 78.9 | Confident | 80.9 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | trans | -91.2 | 89.1 | -176.1 | -171.7 | -10.3 | 0 | 0 | 0 | 110.5 | S77 D81 V82 V107 R109 Q318 | S77-D79 PolarHBondContact O-N 2.58Å; D79-D81 VanDerWaalsContact C-N 3.32Å; D79-D81 PolarHBondContact OD1-N 2.9Å; D79-V82 WeakPolarHBondContact OD2-CG2 3.43Å; D79-V107 HydrophobicContact CB-CG1 4.11Å; D79-V107 PolarHBondContact N-O 3.43Å; D79-R109 HydrophobicContact CB-CB 3.81Å; D79-R109 IonicContact OD1-CZ 2.72Å; D79-R109 IonicContact OD1-NE 3.37Å; D79-R109 IonicContact OD1-NH2 2.71Å; D79-R109 PolarHBondContact OD1-NH2 3.09Å; D79-R109 IonicContact OD2-CZ 2.72Å; D79-R109 IonicContact OD2-NE 2.68Å; D79-R109 PolarHBondContact OD2-NE 3.25Å; D79-R109 IonicContact OD2-NH2 3.3Å; D79-R109 PolarHBondContact OD2-NH2 3.34Å; D79-Q318 PolarHBondContact OD2-NE2 2.88Å | ||
| 80 | Y | 73.7 | Confident | 81.6 | Confident | 116 Ų | 116 | 44.1 Ų | 44.1 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | trans | -79.6 | -9.7 | -178.4 | -61 | -80.8 | 0 | 0 | 0 | 114 | K58 P78 | K58-Y80 HydrophobicContact CD-CD2 4.5Å; K58-Y80 HydrophobicContact CD-CE2 3.83Å; K58-Y80 VanDerWaalsContact NZ-CE2 3.26Å; P78-Y80 HydrophobicContact CB-CD2 4.3Å; P78-Y80 HydrophobicContact CB-CE1 4.43Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CG-CE2 4.16Å; P78-Y80 WeakPolarHBondContact O-CD2 3.39Å; P78-Y80 WeakPolarHBondContact O-CE2 3.48Å; P78-Y80 PolarHBondContact O-N 3.25Å | ||
| 81 | D | 68.8 | Low | 82.3 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -85.6 | -28.2 | -171.3 | -61.2 | -24 | 0 | 0 | 0 | 111.9 | D79 V83 | D79-D81 VanDerWaalsContact C-N 3.32Å; D79-D81 PolarHBondContact OD1-N 2.9Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.75Å |
| 82 | V | 82.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -70.6 | -26.4 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | D79 T314 V317 Q318 V345 | D79-V82 WeakPolarHBondContact OD2-CG2 3.43Å; V82-T314 HydrophobicContact CG1-CG2 4.03Å; V82-V317 HydrophobicContact CG1-CB 4.2Å; V82-V317 HydrophobicContact CG1-CG1 3.97Å; V82-Q318 HydrophobicContact CG2-CG 3.65Å; V82-V345 PolarHBondContact O-N 2.85Å |
| 83 | V | 83 | Confident | 82.3 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.2 | -174.3 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | D81 A87 L100 P101 T314 | D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 2.75Å; V83-A87 HydrophobicContact CG1-CB 3.97Å; V83-L100 HydrophobicContact CG1-CB 4.37Å; V83-L100 HydrophobicContact CG1-CD2 3.87Å; V83-L100 HydrophobicContact CG1-CG 3.86Å; V83-L100 HydrophobicContact CG2-CD2 4.32Å; V83-P101 HydrophobicContact CG1-CG 4.29Å; V83-T314 HydrophobicContact CG2-CG2 4.03Å |
| 84 | H | 81.5 | Confident | 82.3 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 138 | 179.3 | -177 | -125.9 | 0 | 0 | 0 | 111.8 | N86 A87 P101 R344 V345 D346 | H84-N86 PolarHBondContact O-N 3.2Å; H84-A87 HydrophobicContact CB-CB 4.02Å; H84-A87 WeakPolarHBondContact O-CB 3.36Å; H84-A87 PolarHBondContact O-N 3.38Å; H84-P101 WeakPolarHBondContact O-CG 3.47Å; H84-R344 HydrophobicContact CB-CG 4.25Å; H84-V345 PolarHBondContact N-O 3.14Å; H84-D346 WeakPolarHBondContact CB-OD1 2.99Å; H84-D346 IonicContact CG-OD1 3.39Å |
| 85 | P | 75.7 | Confident | 82.3 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | -19 | 179.5 | -30.4 | 37.5 | 0 | 0 | 0 | 115.9 | P101 | P85-P101 WeakPolarHBondContact O-CG 3.36Å |
| 86 | N | 78 | Confident | 82.5 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 25.5 | 172.4 | -61.4 | -37.3 | 0 | 0 | 0 | 112.3 | H84 K88 | H84-N86 PolarHBondContact O-N 3.2Å; N86-K88 PolarHBondContact O-N 2.63Å |
| 87 | A | 84.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V83 H84 L100 P101 D346 | V83-A87 HydrophobicContact CG1-CB 3.97Å; H84-A87 HydrophobicContact CB-CB 4.02Å; H84-A87 WeakPolarHBondContact O-CB 3.36Å; H84-A87 PolarHBondContact O-N 3.38Å; A87-L100 HydrophobicContact CB-CB 3.8Å; A87-L100 HydrophobicContact CB-CD2 3.92Å; A87-L100 HydrophobicContact CB-CG 4.37Å; A87-L100 PolarHBondContact O-N 2.94Å; A87-P101 VanDerWaalsContact O-CD 3.31Å; A87-P101 WeakPolarHBondContact O-CD 3.03Å; A87-D346 VanDerWaalsContact CA-O 3.28Å; A87-D346 WeakPolarHBondContact CA-O 2.96Å |
| 88 | K | 86.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 60 Ų | 60 | 37% | 0.365 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138 | 179.7 | -71.7 | -173.8 | 165.8 | -79.8 | 0 | 111 | N86 E95 D346 R347 V348 | N86-K88 PolarHBondContact O-N 2.63Å; K88-E95 WeakPolarHBondContact CG-OE1 3.46Å; K88-E95 IonicContact NZ-OE1 2.67Å; K88-E95 PolarHBondContact NZ-OE1 3.37Å; K88-E95 IonicContact NZ-OE2 3.71Å; K88-E95 PolarHBondContact NZ-OE2 2.85Å; K88-D346 PolarHBondContact N-O 3.09Å; K88-D346 VanDerWaalsContact N-O 3.1Å; K88-R347 HydrophobicContact CB-CG 4.14Å; K88-R347 CarbonylContact O-C 3.56Å; K88-R347 WeakPolarHBondContact O-CA 3.19Å; K88-V348 PolarHBondContact O-N 3.2Å |
| 89 | L | 91.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.6 | 170.1 | 170.8 | 60.6 | 0 | 0 | 0 | 108.7 | V91 E95 W96 L100 V103 V306 V348 I350 | L89-V91 HydrophobicContact CD1-CG2 3.9Å; L89-V91 HydrophobicContact CD2-CG2 4.37Å; L89-V91 HydrophobicContact CG-CG2 3.97Å; L89-E95 WeakPolarHBondContact O-CA 3.48Å; L89-W96 HydrophobicContact CB-CB 4.05Å; L89-W96 HydrophobicContact CD2-CB 3.84Å; L89-W96 HydrophobicContact CD2-CD2 4.27Å; L89-W96 HydrophobicContact CD2-CG 3.86Å; L89-W96 HydrophobicContact CG-CB 3.8Å; L89-W96 HydrophobicContact CG-CG 4.35Å; L89-W96 PolarHBondContact O-N 2.86Å; L89-L100 HydrophobicContact CB-CB 3.95Å; L89-L100 HydrophobicContact CB-CD1 4.35Å; L89-L100 HydrophobicContact CD1-CD1 4.47Å; L89-L100 HydrophobicContact CD2-CD1 4.35Å; L89-V103 HydrophobicContact CD2-CG1 4.23Å; L89-V103 HydrophobicContact CD2-CG2 3.5Å; L89-V306 HydrophobicContact CD2-CG1 3.92Å; L89-V348 WeakPolarHBondContact CA-O 3.25Å; L89-V348 HydrophobicContact CD1-CB 3.92Å; L89-V348 HydrophobicContact CD1-CG1 3.52Å; L89-I350 HydrophobicContact CD1-CD1 4.17Å; L89-I350 HydrophobicContact CD1-CG1 4.4Å |
| 90 | I | 89.5 | Confident | 83.2 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.6 | 176 | -56.3 | 173.8 | 0 | 0 | 0 | 107.8 | R94 V348 L349 I350 | I90-R94 CarbonylContact C-O 3.4Å; I90-R94 VanDerWaalsContact CA-O 3.31Å; I90-R94 WeakPolarHBondContact CA-O 3.37Å; I90-V348 PolarHBondContact N-O 3.49Å; I90-L349 HydrophobicContact CB-CD1 3.79Å; I90-L349 HydrophobicContact CG2-CD1 3.6Å; I90-L349 CarbonylContact O-C 3.42Å; I90-L349 WeakPolarHBondContact O-CA 3.27Å; I90-I350 PolarHBondContact O-N 2.91Å |
| 91 | V | 92.2 | Very high | 83.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 116.4 | -179.1 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | L89 G93 R94 W96 V306 I350 V352 | L89-V91 HydrophobicContact CD1-CG2 3.9Å; L89-V91 HydrophobicContact CD2-CG2 4.37Å; L89-V91 HydrophobicContact CG-CG2 3.97Å; V91-G93 VanDerWaalsContact C-N 3.34Å; V91-G93 PolarHBondContact O-N 3.49Å; V91-R94 PolarHBondContact N-O 3.36Å; V91-R94 PolarHBondContact O-N 3.13Å; V91-R94 VanDerWaalsContact O-N 3.13Å; V91-W96 HydrophobicContact CB-CE3 4.14Å; V91-W96 HydrophobicContact CB-CZ3 4.47Å; V91-W96 HydrophobicContact CG2-CE3 3.68Å; V91-W96 HydrophobicContact CG2-CZ3 4.19Å; V91-V306 HydrophobicContact CG1-CG2 3.89Å; V91-V306 HydrophobicContact CG2-CG1 4.45Å; V91-V306 HydrophobicContact CG2-CG2 3.89Å; V91-I350 WeakPolarHBondContact CA-O 3.02Å; V91-I350 HydrophobicContact CG1-CB 4.37Å; V91-I350 HydrophobicContact CG1-CG2 4.33Å; V91-I350 HydrophobicContact CG2-CB 4.29Å; V91-I350 HydrophobicContact CG2-CD1 4.46Å; V91-V352 HydrophobicContact CG1-CG2 3.74Å |
| 92 | G | 86.8 | Confident | 83.9 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 49.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R94 I350 | G92-R94 VanDerWaalsContact C-N 3.32Å; G92-R94 PolarHBondContact O-N 2.97Å; G92-I350 PolarHBondContact N-O 2.03Å |
| 93 | G | 81.2 | Confident | 83.8 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | V91 | V91-G93 VanDerWaalsContact C-N 3.34Å; V91-G93 PolarHBondContact O-N 3.49Å |
| 94 | R | 87 | Confident | 83.7 | Confident | 190 Ų | 190 | 56 Ų | 56 | 72% | 0.717 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.7 | 179.4 | -61.5 | -177 | -179.7 | -167.1 | -1.6 | 111.7 | I90 V91 G92 | I90-R94 CarbonylContact C-O 3.4Å; I90-R94 VanDerWaalsContact CA-O 3.31Å; I90-R94 WeakPolarHBondContact CA-O 3.37Å; V91-R94 PolarHBondContact N-O 3.36Å; V91-R94 PolarHBondContact O-N 3.13Å; V91-R94 VanDerWaalsContact O-N 3.13Å; G92-R94 VanDerWaalsContact C-N 3.32Å; G92-R94 PolarHBondContact O-N 2.97Å |
| 95 | E | 86.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 55.3 Ų | 55.3 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.5 | 172.1 | -177.2 | 157 | -164.9 | 0 | 0 | 110.4 | K88 L89 | K88-E95 WeakPolarHBondContact CG-OE1 3.46Å; K88-E95 IonicContact NZ-OE1 2.67Å; K88-E95 PolarHBondContact NZ-OE1 3.37Å; K88-E95 IonicContact NZ-OE2 3.71Å; K88-E95 PolarHBondContact NZ-OE2 2.85Å; L89-E95 WeakPolarHBondContact O-CA 3.48Å |
| 96 | W | 87.5 | Confident | 83.8 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 25% | 0.254 | 29% | 0.293 | S | S | . | . | trans | -78.5 | 139.9 | -176.5 | -166.1 | -87.2 | 0 | 0 | 0 | 111.1 | L89 V91 G98 G99 V103 E303 V306 | L89-W96 HydrophobicContact CB-CB 4.05Å; L89-W96 HydrophobicContact CD2-CB 3.84Å; L89-W96 HydrophobicContact CD2-CD2 4.27Å; L89-W96 HydrophobicContact CD2-CG 3.86Å; L89-W96 HydrophobicContact CG-CB 3.8Å; L89-W96 HydrophobicContact CG-CG 4.35Å; L89-W96 PolarHBondContact O-N 2.86Å; V91-W96 HydrophobicContact CB-CE3 4.14Å; V91-W96 HydrophobicContact CB-CZ3 4.47Å; V91-W96 HydrophobicContact CG2-CE3 3.68Å; V91-W96 HydrophobicContact CG2-CZ3 4.19Å; W96-G98 PolarHBondContact O-N 2.03Å; W96-G98 VanDerWaalsContact O-N 3.16Å; W96-G99 PolarHBondContact O-N 2.66Å; W96-V103 HydrophobicContact CZ2-CG1 4.21Å; W96-V103 VanDerWaalsContact NE1-CG1 3.31Å; W96-E303 HydrophobicContact CZ2-CG 4.28Å; W96-V306 HydrophobicContact CH2-CG2 4.42Å; W96-V306 HydrophobicContact CZ3-CG2 4.08Å | ||
| 97 | T | 84.5 | Confident | 84.3 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 77% | 0.767 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 115.8 | -178 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 98 | G | 77 | Confident | 84.4 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 63% | 0.629 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 7.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W96 A102 | W96-G98 PolarHBondContact O-N 2.03Å; W96-G98 VanDerWaalsContact O-N 3.16Å; G98-A102 WeakPolarHBondContact O-CB 3.09Å; G98-A102 PolarHBondContact O-N 3.2Å |
| 99 | G | 85.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -156.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W96 | W96-G99 PolarHBondContact O-N 2.66Š|
| 100 | L | 83.8 | Confident | 84 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41.4 | 177.4 | -175.2 | 59.7 | 0 | 0 | 0 | 112.8 | V83 A87 L89 A102 V103 S104 T310 V345 V348 | V83-L100 HydrophobicContact CG1-CB 4.37Å; V83-L100 HydrophobicContact CG1-CD2 3.87Å; V83-L100 HydrophobicContact CG1-CG 3.86Å; V83-L100 HydrophobicContact CG2-CD2 4.32Å; A87-L100 HydrophobicContact CB-CB 3.8Å; A87-L100 HydrophobicContact CB-CD2 3.92Å; A87-L100 HydrophobicContact CB-CG 4.37Å; A87-L100 PolarHBondContact O-N 2.94Å; L89-L100 HydrophobicContact CB-CB 3.95Å; L89-L100 HydrophobicContact CB-CD1 4.35Å; L89-L100 HydrophobicContact CD1-CD1 4.47Å; L89-L100 HydrophobicContact CD2-CD1 4.35Å; L100-A102 PolarHBondContact O-N 3.47Å; L100-A102 VanDerWaalsContact O-N 3.12Å; L100-V103 HydrophobicContact CD1-CG2 4.05Å; L100-V103 WeakPolarHBondContact O-CG2 3.42Å; L100-V103 PolarHBondContact O-N 3.08Å; L100-S104 WeakPolarHBondContact CD1-OG 3.02Å; L100-S104 WeakPolarHBondContact CG-OG 3.08Å; L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 3.49Å; L100-S104 PolarHBondContact O-OG 3.18Å; L100-S104 VanDerWaalsContact O-OG 3.1Å; L100-T310 HydrophobicContact CD1-CG2 3.56Å; L100-V345 HydrophobicContact CD2-CB 4.44Å; L100-V345 HydrophobicContact CD2-CG1 3.73Å; L100-V348 HydrophobicContact CD1-CB 4.36Å; L100-V348 HydrophobicContact CD1-CG2 4.14Å; L100-V348 HydrophobicContact CD2-CB 4.25Å; L100-V348 HydrophobicContact CD2-CG2 3.54Å; L100-V348 HydrophobicContact CG-CG2 4.48Å |
| 101 | P | 80.7 | Confident | 83.7 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28 | 177.9 | -26.4 | 36.3 | 0 | 0 | 0 | 114.5 | V83 H84 P85 A87 V103 | V83-P101 HydrophobicContact CG1-CG 4.29Å; H84-P101 WeakPolarHBondContact O-CG 3.47Å; P85-P101 WeakPolarHBondContact O-CG 3.36Å; A87-P101 VanDerWaalsContact O-CD 3.31Å; A87-P101 WeakPolarHBondContact O-CD 3.03Å; P101-V103 VanDerWaalsContact C-N 3.26Å; P101-V103 PolarHBondContact O-N 3.27Å |
| 102 | A | 78.2 | Confident | 83.4 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 45% | 0.446 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G98 L100 | G98-A102 WeakPolarHBondContact O-CB 3.09Å; G98-A102 PolarHBondContact O-N 3.2Å; L100-A102 PolarHBondContact O-N 3.47Å; L100-A102 VanDerWaalsContact O-N 3.12Å |
| 103 | V | 80.2 | Confident | 83 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -22.5 | 169.3 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | L89 W96 L100 P101 D105 H106 V306 T310 | L89-V103 HydrophobicContact CD2-CG1 4.23Å; L89-V103 HydrophobicContact CD2-CG2 3.5Å; W96-V103 HydrophobicContact CZ2-CG1 4.21Å; W96-V103 VanDerWaalsContact NE1-CG1 3.31Å; L100-V103 HydrophobicContact CD1-CG2 4.05Å; L100-V103 WeakPolarHBondContact O-CG2 3.42Å; L100-V103 PolarHBondContact O-N 3.08Å; P101-V103 VanDerWaalsContact C-N 3.26Å; P101-V103 PolarHBondContact O-N 3.27Å; V103-D105 PolarHBondContact O-N 3.17Å; V103-D105 VanDerWaalsContact O-N 3.11Å; V103-H106 PolarHBondContact O-CD2 3.26Å; V103-V306 HydrophobicContact CG1-CG1 4.48Å; V103-V306 HydrophobicContact CG2-CG1 4.39Å; V103-T310 HydrophobicContact CG2-CG2 4.43Å |
| 104 | S | 79.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -75.4 | 13.2 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 114.7 | L100 H106 V107 | L100-S104 WeakPolarHBondContact CD1-OG 3.02Å; L100-S104 WeakPolarHBondContact CG-OG 3.08Å; L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 3.49Å; L100-S104 PolarHBondContact O-OG 3.18Å; L100-S104 VanDerWaalsContact O-OG 3.1Å; S104-H106 PolarHBondContact O-N 2.92Å; S104-V107 WeakPolarHBondContact O-CG2 3.49Å; S104-V107 PolarHBondContact O-N 3.4Å |
| 105 | D | 76.2 | Confident | 81.8 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -61.7 | -24.6 | 170.4 | 68.8 | -19.3 | 0 | 0 | 0 | 112 | H49 R53 V103 V107 | H49-D105 PolarHBondContact CE1-O 3.05Å; H49-D105 PolarHBondContact NE2-O 2.96Å; R53-D105 WeakPolarHBondContact CD-OD2 3.14Å; R53-D105 HydrophobicContact CG-CB 4.48Å; R53-D105 IonicContact CZ-OD2 2.71Å; R53-D105 IonicContact NE-OD2 2.76Å; R53-D105 IonicContact NH1-OD2 2.92Å; R53-D105 PolarHBondContact NH1-OD2 3.22Å; V103-D105 PolarHBondContact O-N 3.17Å; V103-D105 VanDerWaalsContact O-N 3.11Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 3.1Å |
| 106 | H | 83.9 | Confident | 80.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -61.4 | -26 | 170.9 | 66.5 | 72.2 | 0 | 0 | 0 | 114.8 | V103 S104 V108 S123 V124 I125 K307 T310 | V103-H106 PolarHBondContact O-CD2 3.26Å; S104-H106 PolarHBondContact O-N 2.92Å; H106-V108 PolarHBondContact O-N 2.85Å; H106-S123 PolarHBondContact CE1-OG 3.2Å; H106-S123 VanDerWaalsContact ND1-CB 3.3Å; H106-S123 WeakPolarHBondContact ND1-CB 3.47Å; H106-S123 PolarHBondContact ND1-OG 2.75Å; H106-S123 CarbonylContact O-C 3.56Å; H106-S123 WeakPolarHBondContact O-CA 3.43Å; H106-V124 WeakPolarHBondContact CA-O 3.48Å; H106-V124 WeakPolarHBondContact CB-O 3.23Å; H106-V124 PolarHBondContact O-N 3.06Å; H106-I125 HydrophobicContact CB-CG1 4.05Å; H106-K307 PolarHBondContact NE2-O 2.92Å; H106-T310 PolarHBondContact NE2-OG1 3.4Å |
| 107 | V | 87.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.3 | -168.2 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | P78 D79 S104 D105 T314 | P78-V107 CarbonylContact C-O 3.55Å; P78-V107 WeakPolarHBondContact CA-O 3.07Å; D79-V107 HydrophobicContact CB-CG1 4.11Å; D79-V107 PolarHBondContact N-O 3.43Å; S104-V107 WeakPolarHBondContact O-CG2 3.49Å; S104-V107 PolarHBondContact O-N 3.4Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 3.1Å; V107-T314 HydrophobicContact CG1-CG2 4.18Å; V107-T314 HydrophobicContact CG2-CG2 3.78Å |
| 108 | V | 86.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.1 | -175.2 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | L76 S77 H106 F121 G122 V124 F129 Q318 | L76-V108 HydrophobicContact CD2-CB 4.47Å; L76-V108 HydrophobicContact CD2-CG2 4.2Å; S77-V108 CarbonylContact O-C 3.56Å; S77-V108 WeakPolarHBondContact O-CA 3.47Å; S77-V108 WeakPolarHBondContact O-CB 3.4Å; H106-V108 PolarHBondContact O-N 2.85Å; V108-F121 WeakPolarHBondContact O-CA 3.31Å; V108-G122 PolarHBondContact N-O 3.27Å; V108-G122 PolarHBondContact O-N 3.23Å; V108-V124 HydrophobicContact CG1-CG2 3.98Å; V108-V124 HydrophobicContact CG2-CG2 3.93Å; V108-F129 HydrophobicContact CG2-CD2 4Å; V108-F129 HydrophobicContact CG2-CE2 3.74Å; V108-Q318 PolarHBondContact O-NE2 2.82Å |
| 109 | R | 87.2 | Confident | 79.6 | Confident | 54 Ų | 54 | 29.5 Ų | 29.5 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.3 | 169.5 | -175.5 | -178.9 | -57.5 | -171.2 | 3.5 | 109.3 | S77 D79 V120 | S77-R109 PolarHBondContact N-O 3.4Å; S77-R109 PolarHBondContact O-N 2.84Å; S77-R109 PolarHBondContact OG-O 2.71Å; D79-R109 HydrophobicContact CB-CB 3.81Å; D79-R109 IonicContact OD1-CZ 2.72Å; D79-R109 IonicContact OD1-NE 3.37Å; D79-R109 IonicContact OD1-NH2 2.71Å; D79-R109 PolarHBondContact OD1-NH2 3.09Å; D79-R109 IonicContact OD2-CZ 2.72Å; D79-R109 IonicContact OD2-NE 2.68Å; D79-R109 PolarHBondContact OD2-NE 3.25Å; D79-R109 IonicContact OD2-NH2 3.3Å; D79-R109 PolarHBondContact OD2-NH2 3.34Å; R109-V120 CarbonylContact C-O 3.55Å; R109-V120 VanDerWaalsContact CA-O 3.3Å; R109-V120 WeakPolarHBondContact CA-O 3.44Å |
| 110 | G | 83 | Confident | 79.8 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | -157.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V75 V120 | V75-G110 WeakPolarHBondContact O-CA 3.05Å; G110-V120 PolarHBondContact N-O 3.08Å; G110-V120 PolarHBondContact O-N 3.2Å |
| 111 | Y | 83.2 | Confident | 80.1 | Confident | 54 Ų | 54 | 29.1 Ų | 29.1 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 171.4 | 179.2 | 56.9 | -87.6 | 0 | 0 | 0 | 110.1 | V75 S118 Q590 | V75-Y111 HydrophobicContact CB-CD1 4.45Å; V75-Y111 HydrophobicContact CB-CD2 4.17Å; V75-Y111 HydrophobicContact CB-CE1 4.06Å; V75-Y111 HydrophobicContact CB-CE2 3.76Å; V75-Y111 HydrophobicContact CB-CG 4.49Å; V75-Y111 HydrophobicContact CG1-CE1 3.97Å; V75-Y111 HydrophobicContact CG1-CE2 4.23Å; V75-Y111 HydrophobicContact CG2-CD2 4.37Å; V75-Y111 HydrophobicContact CG2-CE2 3.8Å; V75-Y111 PolarHBondContact N-O 2.92Å; V75-Y111 PolarHBondContact O-N 2.79Å; Y111-S118 WeakPolarHBondContact CB-OG 3.48Å; Y111-Q590 HydrophobicContact CD1-CB 4.39Å; Y111-Q590 HydrophobicContact CE1-CB 3.86Å; Y111-Q590 PolarHBondContact OH-OE1 2.73Å |
| 112 | V | 84.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125 | 166.8 | -167.4 | 0 | 0 | 0 | 0 | 107.8 | F72 L74 F115 S118 V120 V133 L135 | F72-V112 HydrophobicContact CB-CG1 4.15Å; F72-V112 HydrophobicContact CD1-CG1 4.15Å; L74-V112 HydrophobicContact CD2-CB 4.47Å; L74-V112 HydrophobicContact CD2-CG1 4.31Å; L74-V112 HydrophobicContact CD2-CG2 3.74Å; V112-F115 HydrophobicContact CB-CB 4.3Å; V112-F115 HydrophobicContact CB-CD2 3.94Å; V112-F115 HydrophobicContact CB-CG 4.48Å; V112-F115 HydrophobicContact CG1-CD2 3.69Å; V112-F115 HydrophobicContact CG1-CE2 4.12Å; V112-F115 PolarHBondContact O-N 3.12Å; V112-S118 PolarHBondContact N-OG 3.49Å; V112-S118 PolarHBondContact O-OG 2.83Å; V112-V120 HydrophobicContact CG2-CG2 3.77Å; V112-V133 HydrophobicContact CG2-CG1 3.67Å; V112-L135 HydrophobicContact CB-CD2 4.24Å; V112-L135 HydrophobicContact CG1-CD2 4.31Å; V112-L135 HydrophobicContact CG2-CD2 3.89Å |
| 113 | D | 79.2 | Confident | 81.2 | Confident | 81 Ų | 81 | 24.2 Ų | 24.2 | 43% | 0.433 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 142.2 | 175.8 | -162.2 | -0.5 | 0 | 0 | 0 | 110.6 | Q73 V75 F115 | Q73-D113 HydrophobicContact CB-CB 3.99Å; Q73-D113 HydrophobicContact CG-CB 4.06Å; Q73-D113 PolarHBondContact NE2-OD2 2.84Å; Q73-D113 WeakPolarHBondContact O-CB 3.35Å; Q73-D113 PolarHBondContact O-N 3.17Å; V75-D113 HydrophobicContact CG2-CB 4Å; D113-F115 WeakPolarHBondContact O-CD2 3.33Å; D113-F115 PolarHBondContact O-N 2.77Å |
| 114 | G | 70.4 | Confident | 81.6 | Confident | 46 Ų | 46 | 24.4 Ų | 24.4 | 47% | 0.474 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V644 | G114-V644 WeakPolarHBondContact O-CG1 3.45Š|
| 115 | F | 72.2 | Confident | 82 | Confident | 60 Ų | 60 | 23.8 Ų | 23.8 | 26% | 0.263 | 13% | 0.13 | S | C | . | . | trans | -131.7 | 82.7 | 175.3 | -63.2 | -94.9 | 0 | 0 | 0 | 111.9 | V112 D113 H117 S118 L135 | V112-F115 HydrophobicContact CB-CB 4.3Å; V112-F115 HydrophobicContact CB-CD2 3.94Å; V112-F115 HydrophobicContact CB-CG 4.48Å; V112-F115 HydrophobicContact CG1-CD2 3.69Å; V112-F115 HydrophobicContact CG1-CE2 4.12Å; V112-F115 PolarHBondContact O-N 3.12Å; D113-F115 WeakPolarHBondContact O-CD2 3.33Å; D113-F115 PolarHBondContact O-N 2.77Å; F115-H117 PolarHBondContact O-N 2.03Å; F115-S118 VanDerWaalsContact O-CB 3.22Å; F115-S118 WeakPolarHBondContact O-CB 3.49Å; F115-S118 PolarHBondContact O-N 3.4Å; F115-S118 PolarHBondContact O-OG 2.94Å; F115-L135 HydrophobicContact CD1-CB 3.86Å; F115-L135 HydrophobicContact CD1-CD1 4.38Å; F115-L135 HydrophobicContact CD1-CD2 4.19Å; F115-L135 HydrophobicContact CD1-CG 4.36Å; F115-L135 HydrophobicContact CD2-CD2 4.12Å; F115-L135 HydrophobicContact CE1-CB 4.17Å; F115-L135 HydrophobicContact CE1-CD1 3.84Å; F115-L135 HydrophobicContact CE1-CD2 4.22Å; F115-L135 HydrophobicContact CE1-CG 4.29Å; F115-L135 HydrophobicContact CE2-CD2 4.15Å; F115-L135 HydrophobicContact CG-CB 4.39Å; F115-L135 HydrophobicContact CG-CD2 4.14Å; F115-L135 HydrophobicContact CZ-CD1 4.09Å; F115-L135 HydrophobicContact CZ-CD2 4.21Å | ||
| 116 | T | 60.7 | Low | 82.3 | Confident | 40 Ų | 40 | 26.3 Ų | 26.3 | 25% | 0.245 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 9.3 | -172.5 | 54.2 | 0 | 0 | 0 | 0 | 116.8 | P640 G643 V644 | T116-P640 WeakPolarHBondContact CG2-O 3.3Å; T116-G643 WeakPolarHBondContact OG1-CA 3.49Å; T116-V644 HydrophobicContact CG2-CG1 3.71Å; T116-V644 PolarHBondContact OG1-N 3.42Å |
| 117 | H | 67.3 | Low | 82.2 | Confident | 80 Ų | 80 | 26.3 Ų | 26.3 | 37% | 0.37 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 3.1 | 164 | -65.3 | -21.3 | 0 | 0 | 0 | 112.1 | F115 N136 K137 | F115-H117 PolarHBondContact O-N 2.03Å; H117-N136 CarbonylContact O-C 3.56Å; H117-N136 WeakPolarHBondContact O-CA 3.46Å; H117-K137 WeakPolarHBondContact O-CB 3.42Å; H117-K137 PolarHBondContact O-N 2.77Å |
| 118 | S | 79.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | trans | -66.6 | 155.7 | 176 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | Y111 V112 F115 S134 L135 | Y111-S118 WeakPolarHBondContact CB-OG 3.48Å; V112-S118 PolarHBondContact N-OG 3.49Å; V112-S118 PolarHBondContact O-OG 2.83Å; F115-S118 VanDerWaalsContact O-CB 3.22Å; F115-S118 WeakPolarHBondContact O-CB 3.49Å; F115-S118 PolarHBondContact O-N 3.4Å; F115-S118 PolarHBondContact O-OG 2.94Å; S118-S134 CarbonylContact C-O 2.9Å; S118-S134 WeakPolarHBondContact CA-O 3.33Å; S118-S134 WeakPolarHBondContact CB-O 3.1Å; S118-L135 WeakPolarHBondContact CA-O 3.49Å; S118-L135 PolarHBondContact N-O 3.25Å | ||
| 119 | V | 82.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 27 Ų | 27 | 9% | 0.085 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 132.9 | 169.6 | 61 | 0 | 0 | 0 | 0 | 108.7 | F121 S134 K137 L140 | V119-F121 HydrophobicContact CG2-CD1 4.49Å; V119-S134 PolarHBondContact N-O 2.94Å; V119-S134 PolarHBondContact O-N 3.02Å; V119-K137 HydrophobicContact CB-CB 4.45Å; V119-K137 HydrophobicContact CG1-CB 3.97Å; V119-K137 HydrophobicContact CG1-CG 4.3Å; V119-L140 HydrophobicContact CG1-CD1 3.4Å; V119-L140 VanDerWaalsContact CG1-CD1 3.4Å |
| 120 | V | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.1 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | L74 L76 R109 G110 V112 F129 T132 V133 | L74-V120 HydrophobicContact CD1-CG1 4.32Å; L74-V120 HydrophobicContact CD2-CG2 4.22Å; L76-V120 HydrophobicContact CD2-CB 4.18Å; L76-V120 HydrophobicContact CD2-CG1 3.59Å; R109-V120 CarbonylContact C-O 3.55Å; R109-V120 VanDerWaalsContact CA-O 3.3Å; R109-V120 WeakPolarHBondContact CA-O 3.44Å; G110-V120 PolarHBondContact N-O 3.08Å; G110-V120 PolarHBondContact O-N 3.2Å; V112-V120 HydrophobicContact CG2-CG2 3.77Å; V120-F129 HydrophobicContact CG1-CE1 4.44Å; V120-F129 HydrophobicContact CG1-CE2 4.06Å; V120-F129 HydrophobicContact CG1-CZ 3.59Å; V120-T132 WeakPolarHBondContact CA-O 3.47Å; V120-V133 HydrophobicContact CG1-CG2 3.88Å; V120-V133 HydrophobicContact CG2-CB 4.46Å; V120-V133 HydrophobicContact CG2-CG1 4.19Å; V120-V133 HydrophobicContact CG2-CG2 4.23Å |
| 121 | F | 90.8 | Very high | 83.1 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.1 | 176 | 63.7 | -91.3 | 0 | 0 | 0 | 110.5 | V108 V119 G131 T132 L140 Q318 T319 L322 | V108-F121 WeakPolarHBondContact O-CA 3.31Å; V119-F121 HydrophobicContact CG2-CD1 4.49Å; F121-G131 CarbonylContact O-C 3.56Å; F121-G131 WeakPolarHBondContact O-CA 3.47Å; F121-T132 HydrophobicContact CE1-CG2 3.96Å; F121-T132 WeakPolarHBondContact CE2-OG1 3.48Å; F121-T132 VanDerWaalsContact CZ-CB 3.46Å; F121-T132 HydrophobicContact CZ-CG2 3.96Å; F121-T132 VanDerWaalsContact CZ-OG1 3.32Å; F121-T132 WeakPolarHBondContact CZ-OG1 3.4Å; F121-T132 PolarHBondContact N-O 2.9Å; F121-T132 PolarHBondContact O-N 2.8Å; F121-L140 HydrophobicContact CE1-CD1 4.35Å; F121-Q318 HydrophobicContact CB-CB 4.32Å; F121-Q318 HydrophobicContact CB-CG 4.41Å; F121-Q318 HydrophobicContact CD2-CB 3.5Å; F121-Q318 VanDerWaalsContact CD2-CB 3.5Å; F121-Q318 HydrophobicContact CD2-CG 4.32Å; F121-Q318 HydrophobicContact CE2-CB 3.99Å; F121-Q318 HydrophobicContact CG-CB 4.07Å; F121-T319 VanDerWaalsContact CE2-OG1 3.22Å; F121-T319 WeakPolarHBondContact CE2-OG1 3.37Å; F121-T319 WeakPolarHBondContact CZ-OG1 3.45Å; F121-L322 HydrophobicContact CD1-CD1 3.8Å; F121-L322 HydrophobicContact CE1-CD1 3.41Å; F121-L322 VanDerWaalsContact CE1-CD1 3.41Å; F121-L322 HydrophobicContact CZ-CD1 4.06Å |
| 122 | G | 90.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -147 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V108 R130 | V108-G122 PolarHBondContact N-O 3.27Å; V108-G122 PolarHBondContact O-N 3.23Å; G122-R130 CarbonylContact C-O 3.59Å; G122-R130 VanDerWaalsContact CA-O 3.23Å; G122-R130 WeakPolarHBondContact CA-O 3.08Å |
| 123 | S | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.1 | 178.8 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | H106 F129 R130 | H106-S123 PolarHBondContact CE1-OG 3.2Å; H106-S123 VanDerWaalsContact ND1-CB 3.3Å; H106-S123 WeakPolarHBondContact ND1-CB 3.47Å; H106-S123 PolarHBondContact ND1-OG 2.75Å; H106-S123 CarbonylContact O-C 3.56Å; H106-S123 WeakPolarHBondContact O-CA 3.43Å; S123-F129 CarbonylContact O-C 3.59Å; S123-F129 WeakPolarHBondContact O-CA 2.98Å; S123-R130 PolarHBondContact N-O 2.83Å; S123-R130 PolarHBondContact O-N 2.78Å |
| 124 | V | 88.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 18.1 Ų | 18.1 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.8 | 176.6 | 176 | 0 | 0 | 0 | 0 | 108.8 | F45 H106 V108 F129 | F45-V124 HydrophobicContact CD1-CG1 3.7Å; F45-V124 HydrophobicContact CE1-CB 4.09Å; F45-V124 HydrophobicContact CE1-CG1 3.37Å; F45-V124 HydrophobicContact CE1-CG2 3.54Å; F45-V124 HydrophobicContact CZ-CG1 4.39Å; F45-V124 HydrophobicContact CZ-CG2 3.94Å; H106-V124 WeakPolarHBondContact CA-O 3.48Å; H106-V124 WeakPolarHBondContact CB-O 3.23Å; H106-V124 PolarHBondContact O-N 3.06Å; V108-V124 HydrophobicContact CG1-CG2 3.98Å; V108-V124 HydrophobicContact CG2-CG2 3.93Å; V124-F129 HydrophobicContact CG2-CD2 4.16Å |
| 125 | I | 86.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120 | -176.3 | -62.7 | 179.5 | 0 | 0 | 0 | 108.6 | H106 G127 V128 L304 K307 | H106-I125 HydrophobicContact CB-CG1 4.05Å; I125-G127 PolarHBondContact O-N 2.71Å; I125-V128 PolarHBondContact N-O 2.82Å; I125-V128 PolarHBondContact O-N 3.38Å; I125-L304 HydrophobicContact CG2-CD1 3.22Å; I125-K307 HydrophobicContact CD1-CB 4.11Å; I125-K307 WeakPolarHBondContact CD1-O 3.5Å; I125-K307 HydrophobicContact CG1-CB 4.42Å; I125-K307 HydrophobicContact CG2-CB 4.43Å |
| 126 | D | 82.3 | Confident | 84.1 | Confident | 88 Ų | 88 | 14.2 Ų | 14.2 | 47% | 0.471 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.5 | -177.2 | -66.4 | -2.9 | 0 | 0 | 0 | 113.7 | V128 L304 | D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 PolarHBondContact O-N 3.49Å; D126-L304 VanDerWaalsContact OD2-CD1 3.25Å; D126-L304 WeakPolarHBondContact OD2-CD1 3.38Å |
| 127 | G | 83.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 2.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y40 P42 F45 I125 | Y40-G127 WeakPolarHBondContact CE2-O 3.29Å; P42-G127 WeakPolarHBondContact O-CA 3.34Å; F45-G127 VanDerWaalsContact CD1-O 3.28Å; F45-G127 WeakPolarHBondContact CD1-O 3.43Å; I125-G127 PolarHBondContact O-N 2.71Å |
| 128 | V | 88.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 13.2 Ų | 13.2 | 9% | 0.091 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.4 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | P42 I125 D126 R130 H167 S168 | P42-V128 HydrophobicContact CB-CG2 4.27Å; P42-V128 HydrophobicContact CG-CG2 4.19Å; I125-V128 PolarHBondContact N-O 2.82Å; I125-V128 PolarHBondContact O-N 3.38Å; D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 PolarHBondContact O-N 3.49Å; V128-R130 HydrophobicContact CG1-CG 4.49Å; V128-H167 WeakPolarHBondContact CG1-ND1 3.37Å; V128-H167 HydrophobicContact CG2-CB 4.34Å; V128-S168 WeakPolarHBondContact CG1-OG 3.21Å |
| 129 | F | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 139.4 | 170.5 | 177.8 | -91.3 | 0 | 0 | 0 | 111.6 | Y40 L63 L74 L76 V108 V120 S123 V124 V133 I153 | Y40-F129 PolarHBondContact OH-N 2.84Å; L63-F129 HydrophobicContact CD2-CB 3.49Å; L63-F129 VanDerWaalsContact CD2-CB 3.49Å; L63-F129 HydrophobicContact CD2-CG 4.16Å; L74-F129 HydrophobicContact CD1-CD1 4.38Å; L74-F129 HydrophobicContact CD1-CE1 4.34Å; L76-F129 HydrophobicContact CD1-CD2 3.77Å; L76-F129 HydrophobicContact CD1-CE2 4.12Å; L76-F129 HydrophobicContact CD2-CD2 4.47Å; L76-F129 HydrophobicContact CD2-CE2 3.97Å; V108-F129 HydrophobicContact CG2-CD2 4Å; V108-F129 HydrophobicContact CG2-CE2 3.74Å; V120-F129 HydrophobicContact CG1-CE1 4.44Å; V120-F129 HydrophobicContact CG1-CE2 4.06Å; V120-F129 HydrophobicContact CG1-CZ 3.59Å; S123-F129 CarbonylContact O-C 3.59Å; S123-F129 WeakPolarHBondContact O-CA 2.98Å; V124-F129 HydrophobicContact CG2-CD2 4.16Å; F129-V133 HydrophobicContact CE1-CG2 4.2Å; F129-I153 HydrophobicContact CD1-CB 4.11Å; F129-I153 HydrophobicContact CD1-CD1 3.8Å; F129-I153 HydrophobicContact CD1-CG2 4.2Å; F129-I153 HydrophobicContact CE1-CB 4.24Å; F129-I153 HydrophobicContact CE1-CD1 3.92Å; F129-I153 WeakPolarHBondContact O-CG2 3.24Å |
| 130 | R | 91 | Very high | 81.6 | Confident | 13 Ų | 13 | 13.9 Ų | 13.9 | 5% | 0.049 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 126.9 | 178.2 | -46.3 | 174.3 | -167.8 | -159.2 | -2.3 | 107.1 | G122 S123 V128 I153 P155 H297 E308 | G122-R130 CarbonylContact C-O 3.59Å; G122-R130 VanDerWaalsContact CA-O 3.23Å; G122-R130 WeakPolarHBondContact CA-O 3.08Å; S123-R130 PolarHBondContact N-O 2.83Å; S123-R130 PolarHBondContact O-N 2.78Å; V128-R130 HydrophobicContact CG1-CG 4.49Å; R130-I153 CarbonylContact C-O 3.48Å; R130-I153 VanDerWaalsContact CA-O 3.32Å; R130-I153 WeakPolarHBondContact CA-O 3.48Å; R130-P155 HydrophobicContact CG-CG 4.06Å; R130-H297 PolarHBondContact NH1-NE2 2.82Å; R130-E308 IonicContact CZ-OE2 2.74Å; R130-E308 IonicContact NH1-OE1 3.12Å; R130-E308 PolarHBondContact NH1-OE1 2.78Å; R130-E308 IonicContact NH1-OE2 3.93Å; R130-E308 PolarHBondContact NH1-OE2 2.73Å |
| 131 | G | 91.5 | Very high | 79.8 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -166.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F121 F152 I153 | F121-G131 CarbonylContact O-C 3.56Å; F121-G131 WeakPolarHBondContact O-CA 3.47Å; G131-F152 WeakPolarHBondContact O-CA 3.46Å; G131-I153 PolarHBondContact N-O 2.79Å; G131-I153 PolarHBondContact O-N 3.5Å |
| 132 | T | 89.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.3 | -178.6 | -46.4 | 0 | 0 | 0 | 0 | 110.1 | V120 F121 T150 F152 | V120-T132 WeakPolarHBondContact CA-O 3.47Å; F121-T132 HydrophobicContact CE1-CG2 3.96Å; F121-T132 WeakPolarHBondContact CE2-OG1 3.48Å; F121-T132 VanDerWaalsContact CZ-CB 3.46Å; F121-T132 HydrophobicContact CZ-CG2 3.96Å; F121-T132 VanDerWaalsContact CZ-OG1 3.32Å; F121-T132 WeakPolarHBondContact CZ-OG1 3.4Å; F121-T132 PolarHBondContact N-O 2.9Å; F121-T132 PolarHBondContact O-N 2.8Å; T132-T150 HydrophobicContact CG2-CG2 3.88Å; T132-F152 HydrophobicContact CG2-CD1 4.17Å; T132-F152 HydrophobicContact CG2-CE1 3.76Å; T132-F152 HydrophobicContact CG2-CZ 4.18Å; T132-F152 WeakPolarHBondContact OG1-CE1 3.21Å |
| 133 | V | 89 | Confident | 74.9 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.3 | 172.1 | 172.4 | 0 | 0 | 0 | 0 | 107.1 | L74 V112 V120 F129 T150 Y151 I153 | L74-V133 HydrophobicContact CD1-CG2 3.85Å; L74-V133 HydrophobicContact CD2-CG1 3.98Å; L74-V133 HydrophobicContact CD2-CG2 3.99Å; V112-V133 HydrophobicContact CG2-CG1 3.67Å; V120-V133 HydrophobicContact CG1-CG2 3.88Å; V120-V133 HydrophobicContact CG2-CB 4.46Å; V120-V133 HydrophobicContact CG2-CG1 4.19Å; V120-V133 HydrophobicContact CG2-CG2 4.23Å; F129-V133 HydrophobicContact CE1-CG2 4.2Å; V133-T150 CarbonylContact O-C 3.58Å; V133-T150 WeakPolarHBondContact O-CA 3.23Å; V133-Y151 PolarHBondContact N-O 2.86Å; V133-Y151 PolarHBondContact O-N 2.66Å; V133-I153 HydrophobicContact CG2-CD1 3.98Å |
| 134 | S | 82.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.6 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 111 | S118 V119 N136 L140 D149 T150 | S118-S134 CarbonylContact C-O 2.9Å; S118-S134 WeakPolarHBondContact CA-O 3.33Å; S118-S134 WeakPolarHBondContact CB-O 3.1Å; V119-S134 PolarHBondContact N-O 2.94Å; V119-S134 PolarHBondContact O-N 3.02Å; S134-N136 PolarHBondContact O-N 3.48Å; S134-N136 PolarHBondContact OG-O 2.98Å; S134-L140 VanDerWaalsContact CB-CD1 3.42Å; S134-D149 CarbonylContact C-O 3.58Å; S134-D149 VanDerWaalsContact CA-O 3.3Å; S134-D149 WeakPolarHBondContact CA-O 3.49Å; S134-T150 WeakPolarHBondContact CB-OG1 3.4Å; S134-T150 PolarHBondContact OG-OG1 2.87Å |
| 135 | L | 79.7 | Confident | 69.5 | Low | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -69.4 | -9.6 | 176.9 | -50.4 | 177.1 | 0 | 0 | 0 | 113.1 | F72 V112 F115 S118 D149 Y151 | F72-L135 HydrophobicContact CD1-CD2 4Å; F72-L135 HydrophobicContact CE1-CD1 3.96Å; F72-L135 HydrophobicContact CE1-CD2 3.75Å; F72-L135 HydrophobicContact CE1-CG 4.41Å; V112-L135 HydrophobicContact CB-CD2 4.24Å; V112-L135 HydrophobicContact CG1-CD2 4.31Å; V112-L135 HydrophobicContact CG2-CD2 3.89Å; F115-L135 HydrophobicContact CD1-CB 3.86Å; F115-L135 HydrophobicContact CD1-CD1 4.38Å; F115-L135 HydrophobicContact CD1-CD2 4.19Å; F115-L135 HydrophobicContact CD1-CG 4.36Å; F115-L135 HydrophobicContact CD2-CD2 4.12Å; F115-L135 HydrophobicContact CE1-CB 4.17Å; F115-L135 HydrophobicContact CE1-CD1 3.84Å; F115-L135 HydrophobicContact CE1-CD2 4.22Å; F115-L135 HydrophobicContact CE1-CG 4.29Å; F115-L135 HydrophobicContact CE2-CD2 4.15Å; F115-L135 HydrophobicContact CG-CB 4.39Å; F115-L135 HydrophobicContact CG-CD2 4.14Å; F115-L135 HydrophobicContact CZ-CD1 4.09Å; F115-L135 HydrophobicContact CZ-CD2 4.21Å; S118-L135 WeakPolarHBondContact CA-O 3.49Å; S118-L135 PolarHBondContact N-O 3.25Å; L135-D149 HydrophobicContact CB-CB 3.82Å; L135-D149 HydrophobicContact CD1-CB 4.3Å; L135-D149 HydrophobicContact CG-CB 4.16Å; L135-D149 PolarHBondContact N-O 3.37Å; L135-Y151 HydrophobicContact CD1-CE2 4.31Å |
| 136 | N | 69.9 | Low | 67.3 | Low | 17 Ų | 17 | 22.5 Ų | 22.5 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | trans | -153.6 | 111.8 | 176.8 | -175 | 9.8 | 0 | 0 | 0 | 112.8 | H117 S134 S138 N139 | H117-N136 CarbonylContact O-C 3.56Å; H117-N136 WeakPolarHBondContact O-CA 3.46Å; S134-N136 PolarHBondContact O-N 3.48Å; S134-N136 PolarHBondContact OG-O 2.98Å; N136-S138 VanDerWaalsContact CG-OG 3.26Å; N136-S138 PolarHBondContact ND2-OG 3.21Å; N136-S138 PolarHBondContact O-N 3.31Å; N136-S138 PolarHBondContact OD1-N 2.93Å; N136-S138 VanDerWaalsContact OD1-N 3.13Å; N136-S138 PolarHBondContact OD1-OG 3.17Å; N136-N139 HydrophobicContact CB-CB 4.34Å; N136-N139 PolarHBondContact ND2-ND2 3.07Å; N136-N139 PolarHBondContact ND2-OD1 3.06Å; N136-N139 VanDerWaalsContact ND2-OD1 3.15Å; N136-N139 PolarHBondContact O-N 2.7Å | ||
| 137 | K | 66.7 | Low | 65.7 | Low | 46 Ų | 46 | 18.8 Ų | 18.8 | 20% | 0.2 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35 | 175.1 | 179.8 | -179 | 174.4 | -173.6 | 0 | 112.2 | H117 V119 N139 L140 L141 | H117-K137 WeakPolarHBondContact O-CB 3.42Å; H117-K137 PolarHBondContact O-N 2.77Å; V119-K137 HydrophobicContact CB-CB 4.45Å; V119-K137 HydrophobicContact CG1-CB 3.97Å; V119-K137 HydrophobicContact CG1-CG 4.3Å; K137-N139 PolarHBondContact O-N 2.91Å; K137-L140 PolarHBondContact O-N 2.98Å; K137-L141 HydrophobicContact CG-CD1 3.97Å |
| 138 | S | 58.7 | Low | 64.4 | Low | 53 Ų | 53 | 20.5 Ų | 20.5 | 37% | 0.371 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59 | -42.9 | 174.6 | 74.4 | 0 | 0 | 0 | 0 | 110 | N136 L140 L141 H142 | N136-S138 VanDerWaalsContact CG-OG 3.26Å; N136-S138 PolarHBondContact ND2-OG 3.21Å; N136-S138 PolarHBondContact O-N 3.31Å; N136-S138 PolarHBondContact OD1-N 2.93Å; N136-S138 VanDerWaalsContact OD1-N 3.13Å; N136-S138 PolarHBondContact OD1-OG 3.17Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 VanDerWaalsContact O-N 3.14Å; S138-L141 CarbonylContact O-C 3.45Å; S138-L141 PolarHBondContact O-N 3.45Å; S138-H142 CarbonylContact C-O 3.18Å; S138-H142 CarbonylContact O-C 3.56Å; S138-H142 VanDerWaalsContact O-CA 3.26Å; S138-H142 WeakPolarHBondContact O-CA 3.4Å; S138-H142 PolarHBondContact O-N 3.24Å |
| 139 | N | 56.5 | Low | 63.5 | Low | 14 Ų | 14 | 21 Ų | 21 | 8% | 0.075 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76 | -4.5 | -174.1 | -59.1 | -1.6 | 0 | 0 | 0 | 113.7 | N136 K137 S147 | N136-N139 HydrophobicContact CB-CB 4.34Å; N136-N139 PolarHBondContact ND2-ND2 3.07Å; N136-N139 PolarHBondContact ND2-OD1 3.06Å; N136-N139 VanDerWaalsContact ND2-OD1 3.15Å; N136-N139 PolarHBondContact O-N 2.7Å; K137-N139 PolarHBondContact O-N 2.91Å; N139-S147 WeakPolarHBondContact CB-OG 3.08Å; N139-S147 VanDerWaalsContact ND2-CB 3.34Å; N139-S147 WeakPolarHBondContact ND2-CB 3.36Å; N139-S147 PolarHBondContact ND2-OG 2.82Å |
| 140 | L | 55.6 | Low | 62.8 | Low | 22 Ų | 22 | 21.4 Ų | 21.4 | 12% | 0.115 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -82.9 | -19.4 | 164.1 | -87.3 | 166.3 | 0 | 0 | 0 | 113.5 | V119 F121 S134 K137 S138 T150 L322 N554 | V119-L140 HydrophobicContact CG1-CD1 3.4Å; V119-L140 VanDerWaalsContact CG1-CD1 3.4Å; F121-L140 HydrophobicContact CE1-CD1 4.35Å; S134-L140 VanDerWaalsContact CB-CD1 3.42Å; K137-L140 PolarHBondContact O-N 2.98Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 VanDerWaalsContact O-N 3.14Å; L140-T150 HydrophobicContact CD2-CG2 3.94Å; L140-L322 HydrophobicContact CD1-CD1 4.34Å; L140-N554 WeakPolarHBondContact O-CB 3.36Å; L140-N554 PolarHBondContact O-ND2 2.98Å |
| 141 | L | 50.9 | Low | 62.6 | Low | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -126.9 | -53.9 | -166.1 | -62.8 | 162.8 | 0 | 0 | 0 | 110.6 | K137 S138 L322 I323 D326 K555 | K137-L141 HydrophobicContact CG-CD1 3.97Å; S138-L141 CarbonylContact O-C 3.45Å; S138-L141 PolarHBondContact O-N 3.45Å; L141-L322 HydrophobicContact CD2-CB 4.33Å; L141-L322 VanDerWaalsContact CD2-O 3.3Å; L141-L322 WeakPolarHBondContact CD2-O 3.34Å; L141-I323 HydrophobicContact CD2-CB 4.47Å; L141-I323 HydrophobicContact CD2-CG1 4.1Å; L141-D326 HydrophobicContact CD1-CB 3.83Å; L141-D326 HydrophobicContact CD2-CB 4.42Å; L141-K555 WeakPolarHBondContact O-CE 3.23Å; L141-K555 VanDerWaalsContact O-CG 3.28Å; L141-K555 WeakPolarHBondContact O-CG 3.38Å |
| 142 | H | 42.6 | Very low | 62.4 | Low | 97 Ų | 97 | 21.2 Ų | 21.2 | 45% | 0.449 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -104.9 | 85.6 | 163 | -64.5 | -102 | 0 | 0 | 0 | 109.5 | S138 A144 D326 | S138-H142 CarbonylContact C-O 3.18Å; S138-H142 CarbonylContact O-C 3.56Å; S138-H142 VanDerWaalsContact O-CA 3.26Å; S138-H142 WeakPolarHBondContact O-CA 3.4Å; S138-H142 PolarHBondContact O-N 3.24Å; H142-A144 PolarHBondContact O-N 2.93Å; H142-D326 IonicContact CD2-OD2 2.77Å |
| 143 | S | 37.3 | Very low | 62.6 | Low | 18 Ų | 18 | 21.2 Ų | 21.2 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | trans | -72.1 | 69.9 | 170 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | S145 E551 | S143-S145 PolarHBondContact O-N 3.48Å; S143-E551 VanDerWaalsContact O-CB 3.29Å; S143-E551 WeakPolarHBondContact O-CB 3.2Å; S143-E551 WeakPolarHBondContact O-CG 3.29Å | ||
| 144 | A | 31.5 | Very low | 62.5 | Low | 55 Ų | 55 | 21.5 Ų | 21.5 | 46% | 0.455 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -67.3 | 74.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | H142 Q701 | H142-A144 PolarHBondContact O-N 2.93Å; A144-Q701 PolarHBondContact O-NE2 2.87Å |
| 145 | S | 34.5 | Very low | 62.8 | Low | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.028 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 78.3 | 145.4 | -175.3 | -156.2 | 0 | 0 | 0 | 0 | 116.3 | S143 S147 K698 Q701 I703 | S143-S145 PolarHBondContact O-N 3.48Å; S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.38Å; S145-K698 PolarHBondContact OG-O 3.18Å; S145-Q701 VanDerWaalsContact C-NE2 3.29Å; S145-Q701 PolarHBondContact O-NE2 3.16Å; S145-Q701 WeakPolarHBondContact OG-CB 3.25Å; S145-Q701 PolarHBondContact OG-N 3.08Å; S145-Q701 PolarHBondContact OG-O 3.31Å; S145-I703 WeakPolarHBondContact OG-CG2 3.36Å |
| 146 | K | 41.4 | Very low | 63.1 | Low | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | trans | -66.9 | 71.2 | -167.2 | -101.4 | -170 | -101.9 | 132.5 | 0 | 113.1 | L174 Q701 C702 I703 | K146-L174 HydrophobicContact CB-CD1 4.14Å; K146-L174 HydrophobicContact CD-CD1 4.18Å; K146-L174 HydrophobicContact CD-CD2 3.71Å; K146-L174 HydrophobicContact CG-CD1 4.27Å; K146-L174 HydrophobicContact CG-CD2 3.9Å; K146-Q701 VanDerWaalsContact C-CB 3.43Å; K146-Q701 WeakPolarHBondContact O-CB 3.35Å; K146-C702 PolarHBondContact NZ-O 2.99Å; K146-I703 HydrophobicContact CB-CB 4.49Å; K146-I703 HydrophobicContact CB-CG2 3.61Å; K146-I703 HydrophobicContact CG-CG2 3.86Å; K146-I703 VanDerWaalsContact NZ-C 3.28Å; K146-I703 VanDerWaalsContact NZ-CA 3.29Å; K146-I703 PolarHBondContact NZ-O 2.88Å | ||
| 147 | S | 48.8 | Very low | 63.5 | Low | 10 Ų | 10 | 22.1 Ų | 22.1 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | trans | -69.1 | 135.5 | 177.1 | 58 | 0 | 0 | 0 | 0 | 112.2 | N139 S145 D149 | N139-S147 WeakPolarHBondContact CB-OG 3.08Å; N139-S147 VanDerWaalsContact ND2-CB 3.34Å; N139-S147 WeakPolarHBondContact ND2-CB 3.36Å; N139-S147 PolarHBondContact ND2-OG 2.82Å; S145-S147 VanDerWaalsContact C-N 3.35Å; S145-S147 PolarHBondContact O-N 3.38Å; S147-D149 PolarHBondContact O-N 3.42Å | ||
| 148 | Y | 54.4 | Low | 64 | Low | 38 Ų | 38 | 21.8 Ų | 21.8 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 39.3 | 172.6 | -68.9 | -86.4 | 0 | 0 | 0 | 112.7 | Y151 N172 L174 Q691 C702 | Y148-Y151 VanDerWaalsContact O-CE2 3.23Å; Y148-Y151 WeakPolarHBondContact O-CE2 3.25Å; Y148-Y151 PolarHBondContact O-OH 3.45Å; Y148-Y151 VanDerWaalsContact O-OH 3.1Å; Y148-N172 VanDerWaalsContact C-ND2 3.28Å; Y148-N172 PolarHBondContact O-ND2 3.25Å; Y148-L174 HydrophobicContact CD1-CD1 4.2Å; Y148-L174 HydrophobicContact CE1-CD1 4.1Å; Y148-Q691 WeakPolarHBondContact OH-CB 3.16Å; Y148-Q691 PolarHBondContact OH-OE1 3.31Å; Y148-C702 HydrophobicContact CE2-CB 3.81Å; Y148-C702 PolarHBondContact OH-SG 3.36Å |
| 149 | D | 70.5 | Confident | 64.8 | Low | 27 Ų | 27 | 20.4 Ų | 20.4 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -23.9 | -161.5 | -72.6 | 10.8 | 0 | 0 | 0 | 112.3 | S134 L135 S147 Y151 | S134-D149 CarbonylContact C-O 3.58Å; S134-D149 VanDerWaalsContact CA-O 3.3Å; S134-D149 WeakPolarHBondContact CA-O 3.49Å; L135-D149 HydrophobicContact CB-CB 3.82Å; L135-D149 HydrophobicContact CD1-CB 4.3Å; L135-D149 HydrophobicContact CG-CB 4.16Å; L135-D149 PolarHBondContact N-O 3.37Å; S147-D149 PolarHBondContact O-N 3.42Å; D149-Y151 WeakPolarHBondContact O-CD2 3.28Å |
| 150 | T | 77.2 | Confident | 65.6 | Low | 8 Ų | 8 | 20.6 Ų | 20.6 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.6 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | T132 V133 S134 L140 F152 N172 S173 | T132-T150 HydrophobicContact CG2-CG2 3.88Å; V133-T150 CarbonylContact O-C 3.58Å; V133-T150 WeakPolarHBondContact O-CA 3.23Å; S134-T150 WeakPolarHBondContact CB-OG1 3.4Å; S134-T150 PolarHBondContact OG-OG1 2.87Å; L140-T150 HydrophobicContact CD2-CG2 3.94Å; T150-F152 HydrophobicContact CG2-CE2 4.21Å; T150-F152 HydrophobicContact CG2-CZ 4.28Å; T150-N172 PolarHBondContact O-ND2 2.93Å; T150-S173 VanDerWaalsContact O-CB 3.3Å; T150-S173 WeakPolarHBondContact O-CB 3.2Å; T150-S173 PolarHBondContact O-N 3.01Å |
| 151 | Y | 86 | Confident | 66.1 | Low | 6 Ų | 6 | 24.5 Ų | 24.5 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152 | 177.5 | -59.8 | -88.9 | 0 | 0 | 0 | 110.4 | F68 K70 F72 V133 L135 Y148 D149 I170 Y171 N172 | F68-Y151 AromaticContact CD2-CD1 4Å; F68-Y151 HydrophobicContact CD2-CD1 4Å; F68-Y151 AromaticContact CD2-CE1 3.41Å; F68-Y151 HydrophobicContact CD2-CE1 3.41Å; F68-Y151 VanDerWaalsContact CD2-CE1 3.41Å; F68-Y151 AromaticContact CE2-CD1 3.7Å; F68-Y151 HydrophobicContact CE2-CD1 3.7Å; F68-Y151 AromaticContact CE2-CE1 3.57Å; F68-Y151 HydrophobicContact CE2-CE1 3.57Å; F68-Y151 HydrophobicContact CG-CE1 4.36Å; K70-Y151 PolarHBondContact NZ-OH 3.48Å; F72-Y151 HydrophobicContact CE1-CE2 4.38Å; F72-Y151 HydrophobicContact CE2-CE2 4.39Å; F72-Y151 HydrophobicContact CZ-CD2 4.42Å; F72-Y151 AromaticContact CZ-CE2 3.69Å; F72-Y151 HydrophobicContact CZ-CE2 3.69Å; F72-Y151 AromaticContact CZ-CZ 3.92Å; V133-Y151 PolarHBondContact N-O 2.86Å; V133-Y151 PolarHBondContact O-N 2.66Å; L135-Y151 HydrophobicContact CD1-CE2 4.31Å; Y148-Y151 VanDerWaalsContact O-CE2 3.23Å; Y148-Y151 WeakPolarHBondContact O-CE2 3.25Å; Y148-Y151 PolarHBondContact O-OH 3.45Å; Y148-Y151 VanDerWaalsContact O-OH 3.1Å; D149-Y151 WeakPolarHBondContact O-CD2 3.28Å; Y151-I170 HydrophobicContact CD1-CD1 4.48Å; Y151-I170 HydrophobicContact CD1-CG1 4.46Å; Y151-I170 HydrophobicContact CG-CD1 4.42Å; Y151-Y171 CarbonylContact C-O 3.55Å; Y151-Y171 WeakPolarHBondContact CA-O 3.45Å; Y151-N172 HydrophobicContact CD1-CB 4.03Å; Y151-N172 WeakPolarHBondContact CD1-ND2 2.99Å; Y151-N172 HydrophobicContact CE1-CB 4.12Å; Y151-N172 WeakPolarHBondContact CE1-ND2 3.36Å |
| 152 | F | 87.9 | Confident | 66.9 | Low | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.5 | 172.6 | -65.4 | -86.7 | 0 | 0 | 0 | 109.2 | G131 T132 T150 I170 Y171 K499 | G131-F152 WeakPolarHBondContact O-CA 3.46Å; T132-F152 HydrophobicContact CG2-CD1 4.17Å; T132-F152 HydrophobicContact CG2-CE1 3.76Å; T132-F152 HydrophobicContact CG2-CZ 4.18Å; T132-F152 WeakPolarHBondContact OG1-CE1 3.21Å; T150-F152 HydrophobicContact CG2-CE2 4.21Å; T150-F152 HydrophobicContact CG2-CZ 4.28Å; F152-I170 WeakPolarHBondContact O-CA 3.5Å; F152-Y171 HydrophobicContact CB-CD1 4.26Å; F152-Y171 HydrophobicContact CB-CD2 4.26Å; F152-Y171 HydrophobicContact CB-CE1 3.73Å; F152-Y171 HydrophobicContact CB-CE2 3.7Å; F152-Y171 VanDerWaalsContact CB-CZ 3.44Å; F152-Y171 HydrophobicContact CD2-CD2 4.39Å; F152-Y171 AromaticContact CD2-CE2 3.75Å; F152-Y171 HydrophobicContact CD2-CE2 3.75Å; F152-Y171 HydrophobicContact CG-CE2 4.02Å; F152-Y171 PolarHBondContact N-O 3.09Å; F152-Y171 PolarHBondContact O-N 2.83Å; F152-K499 HydrophobicContact CE1-CB 4.37Å; F152-K499 HydrophobicContact CE2-CB 3.99Å; F152-K499 HydrophobicContact CE2-CD 4.06Å; F152-K499 HydrophobicContact CE2-CG 4.26Å; F152-K499 HydrophobicContact CZ-CB 3.64Å; F152-K499 HydrophobicContact CZ-CD 4.15Å; F152-K499 HydrophobicContact CZ-CG 3.88Å |
| 153 | I | 91.8 | Very high | 67.9 | Low | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.6 | 176.8 | -60.6 | 173.3 | 0 | 0 | 0 | 107.7 | L38 I65 L74 F129 R130 G131 V133 V169 I170 | L38-I153 HydrophobicContact CD1-CD1 4.14Å; L38-I153 HydrophobicContact CD1-CG1 4.28Å; L38-I153 HydrophobicContact CD1-CG2 4.06Å; I65-I153 HydrophobicContact CD1-CD1 3.63Å; L74-I153 HydrophobicContact CD1-CD1 4.46Å; F129-I153 HydrophobicContact CD1-CB 4.11Å; F129-I153 HydrophobicContact CD1-CD1 3.8Å; F129-I153 HydrophobicContact CD1-CG2 4.2Å; F129-I153 HydrophobicContact CE1-CB 4.24Å; F129-I153 HydrophobicContact CE1-CD1 3.92Å; F129-I153 WeakPolarHBondContact O-CG2 3.24Å; R130-I153 CarbonylContact C-O 3.48Å; R130-I153 VanDerWaalsContact CA-O 3.32Å; R130-I153 WeakPolarHBondContact CA-O 3.48Å; G131-I153 PolarHBondContact N-O 2.79Å; G131-I153 PolarHBondContact O-N 3.5Å; V133-I153 HydrophobicContact CG2-CD1 3.98Å; I153-V169 WeakPolarHBondContact CA-O 3.48Å; I153-I170 HydrophobicContact CD1-CD1 4.01Å; I153-I170 HydrophobicContact CG1-CB 4.04Å; I153-I170 HydrophobicContact CG1-CD1 3.77Å; I153-I170 HydrophobicContact CG1-CG1 3.72Å |
| 154 | E | 88.3 | Confident | 69.5 | Low | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.5 | -177.8 | -70.4 | -167 | -141 | 0 | 0 | 111.2 | S156 Y158 Y159 S168 V169 Y171 K495 T498 | E154-S156 PolarHBondContact O-N 3.25Å; E154-Y158 HydrophobicContact CB-CD2 3.85Å; E154-Y158 HydrophobicContact CB-CE2 4.05Å; E154-Y158 HydrophobicContact CG-CD2 4.4Å; E154-Y158 HydrophobicContact CG-CE2 4.26Å; E154-Y158 WeakPolarHBondContact OE2-CD2 3.34Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.42Å; E154-Y159 HydrophobicContact CB-CE2 4.04Å; E154-Y159 VanDerWaalsContact CD-OH 3.29Å; E154-Y159 PolarHBondContact OE2-OH 2.99Å; E154-Y159 VanDerWaalsContact OE2-OH 3.05Å; E154-S168 CarbonylContact O-C 3.56Å; E154-S168 WeakPolarHBondContact O-CA 3.4Å; E154-S168 WeakPolarHBondContact O-CB 3.33Å; E154-V169 HydrophobicContact CB-CG2 4.48Å; E154-V169 PolarHBondContact N-O 2.89Å; E154-V169 WeakPolarHBondContact O-CG2 3.17Å; E154-V169 PolarHBondContact O-N 2.74Å; E154-Y171 HydrophobicContact CG-CE1 4.41Å; E154-Y171 PolarHBondContact OE1-OH 3.25Å; E154-K495 IonicContact OE2-NZ 2.74Å; E154-K495 PolarHBondContact OE2-NZ 3.29Å; E154-T498 WeakPolarHBondContact OE1-CB 3.48Å; E154-T498 PolarHBondContact OE1-OG1 2.85Å; E154-T498 PolarHBondContact OE2-OG1 3.41Å |
| 155 | P | 88.2 | Confident | 71.8 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 133.9 | 176.3 | -28 | 35.3 | 0 | 0 | 0 | 113.1 | R130 G157 Y158 | R130-P155 HydrophobicContact CG-CG 4.06Å; P155-G157 PolarHBondContact O-N 2.87Å; P155-Y158 HydrophobicContact CB-CD1 4.36Å; P155-Y158 HydrophobicContact CB-CE1 4.5Å; P155-Y158 HydrophobicContact CB-CG 4.47Å; P155-Y158 HydrophobicContact CG-CE1 4.27Å; P155-Y158 HydrophobicContact CG-CE2 4.34Å; P155-Y158 WeakPolarHBondContact O-CB 3.22Å; P155-Y158 PolarHBondContact O-N 3.38Å |
| 156 | S | 85.7 | Confident | 74.2 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -60.8 | -36 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | E154 Y158 Y159 F160 F166 H167 | E154-S156 PolarHBondContact O-N 3.25Å; S156-Y158 PolarHBondContact O-N 3.45Å; S156-Y159 PolarHBondContact O-N 3.13Å; S156-F160 PolarHBondContact O-N 3.33Å; S156-F160 VanDerWaalsContact O-N 3.09Å; S156-F166 WeakPolarHBondContact CB-O 3.37Å; S156-F166 PolarHBondContact OG-O 3.08Å; S156-H167 PolarHBondContact N-O 3.44Å; S156-H167 PolarHBondContact OG-O 2.91Å |
| 157 | G | 78.8 | Confident | 76.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -64.9 | 2.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | P155 | P155-G157 PolarHBondContact O-N 2.87Š|
| 158 | Y | 78.5 | Confident | 78.3 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -76.2 | -35.3 | 162.9 | -77.5 | -9.8 | 0 | 0 | 0 | 113.2 | E154 P155 S156 K295 H297 E308 K495 | E154-Y158 HydrophobicContact CB-CD2 3.85Å; E154-Y158 HydrophobicContact CB-CE2 4.05Å; E154-Y158 HydrophobicContact CG-CD2 4.4Å; E154-Y158 HydrophobicContact CG-CE2 4.26Å; E154-Y158 WeakPolarHBondContact OE2-CD2 3.34Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.42Å; P155-Y158 HydrophobicContact CB-CD1 4.36Å; P155-Y158 HydrophobicContact CB-CE1 4.5Å; P155-Y158 HydrophobicContact CB-CG 4.47Å; P155-Y158 HydrophobicContact CG-CE1 4.27Å; P155-Y158 HydrophobicContact CG-CE2 4.34Å; P155-Y158 WeakPolarHBondContact O-CB 3.22Å; P155-Y158 PolarHBondContact O-N 3.38Å; S156-Y158 PolarHBondContact O-N 3.45Å; Y158-K295 HydrophobicContact CD1-CD 4.2Å; Y158-H297 AromaticContact CD1-CE1 2.67Å; Y158-H297 WeakPolarHBondContact CD1-CE1 3.34Å; Y158-H297 AromaticContact CE1-CE1 2.76Å; Y158-H297 WeakPolarHBondContact CE1-CE1 3.37Å; Y158-H297 AromaticContact CE1-NE2 3.75Å; Y158-H297 AromaticContact CG-CE1 3.85Å; Y158-H297 AromaticContact CZ-CE1 3.98Å; Y158-E308 WeakPolarHBondContact CE1-OE1 3.24Å; Y158-E308 PolarHBondContact OH-OE1 3.04Å; Y158-E308 PolarHBondContact OH-OE2 2.75Å; Y158-K495 VanDerWaalsContact CD2-NZ 3.27Å |
| 159 | Y | 74.4 | Confident | 79.9 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -24.2 | -168.2 | -56.4 | -74.7 | 0 | 0 | 0 | 112.4 | F31 F32 E154 S156 V169 K495 | F31-Y159 HydrophobicContact CB-CD1 3.9Å; F31-Y159 HydrophobicContact CB-CE1 4.18Å; F31-Y159 HydrophobicContact CD1-CD1 4.13Å; F31-Y159 AromaticContact CD2-CD1 3.47Å; F31-Y159 HydrophobicContact CD2-CD1 3.47Å; F31-Y159 VanDerWaalsContact CD2-CD1 3.47Å; F31-Y159 HydrophobicContact CD2-CE1 4.48Å; F31-Y159 HydrophobicContact CD2-CG 4.06Å; F31-Y159 AromaticContact CE2-CD1 3.94Å; F31-Y159 HydrophobicContact CE2-CD1 3.94Å; F31-Y159 HydrophobicContact CE2-CG 4.45Å; F31-Y159 WeakPolarHBondContact CE2-O 3.44Å; F31-Y159 AromaticContact CG-CD1 3.56Å; F31-Y159 HydrophobicContact CG-CD1 3.56Å; F31-Y159 HydrophobicContact CG-CE1 4.16Å; F31-Y159 HydrophobicContact CZ-CD1 4.45Å; F32-Y159 HydrophobicContact CE2-CD1 4.14Å; F32-Y159 AromaticContact CE2-CD2 3.96Å; F32-Y159 HydrophobicContact CE2-CD2 3.96Å; F32-Y159 HydrophobicContact CE2-CE1 4.11Å; F32-Y159 AromaticContact CE2-CE2 3.98Å; F32-Y159 HydrophobicContact CE2-CE2 3.98Å; F32-Y159 HydrophobicContact CE2-CG 4.04Å; F32-Y159 HydrophobicContact CZ-CD1 4.15Å; F32-Y159 HydrophobicContact CZ-CD2 4.24Å; F32-Y159 AromaticContact CZ-CE1 3.66Å; F32-Y159 HydrophobicContact CZ-CE1 3.66Å; F32-Y159 AromaticContact CZ-CE2 3.8Å; F32-Y159 HydrophobicContact CZ-CE2 3.8Å; F32-Y159 HydrophobicContact CZ-CG 4.4Å; F32-Y159 AromaticContact CZ-CZ 3.47Å; F32-Y159 VanDerWaalsContact CZ-CZ 3.47Å; E154-Y159 HydrophobicContact CB-CE2 4.04Å; E154-Y159 VanDerWaalsContact CD-OH 3.29Å; E154-Y159 PolarHBondContact OE2-OH 2.99Å; E154-Y159 VanDerWaalsContact OE2-OH 3.05Å; S156-Y159 PolarHBondContact O-N 3.13Å; Y159-V169 HydrophobicContact CD2-CG2 3.75Å; Y159-V169 HydrophobicContact CE2-CG2 3.71Å; Y159-K495 PolarHBondContact OH-NZ 3Å |
| 160 | F | 73.6 | Confident | 80.9 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | trans | -118.2 | 128.3 | -168.1 | -62.6 | -48.2 | 0 | 0 | 0 | 113.5 | Y35 S156 K162 F164 F166 V169 | Y35-F160 HydrophobicContact CE1-CZ 4.28Å; Y35-F160 AromaticContact CE2-CE2 3.91Å; Y35-F160 HydrophobicContact CE2-CE2 3.91Å; Y35-F160 AromaticContact CE2-CZ 3.79Å; Y35-F160 HydrophobicContact CE2-CZ 3.79Å; Y35-F160 AromaticContact CZ-CZ 3.61Å; Y35-F160 WeakPolarHBondContact OH-CZ 3.04Å; S156-F160 PolarHBondContact O-N 3.33Å; S156-F160 VanDerWaalsContact O-N 3.09Å; F160-K162 VanDerWaalsContact C-N 3.35Å; F160-F164 HydrophobicContact CB-CD2 3.64Å; F160-F164 HydrophobicContact CB-CE2 3.58Å; F160-F164 HydrophobicContact CD1-CE2 4.2Å; F160-F164 HydrophobicContact CD2-CD2 4.02Å; F160-F164 HydrophobicContact CD2-CE2 4.26Å; F160-F164 AromaticContact CG-CD2 3.91Å; F160-F164 HydrophobicContact CG-CD2 3.91Å; F160-F164 AromaticContact CG-CE2 3.77Å; F160-F164 HydrophobicContact CG-CE2 3.77Å; F160-F166 HydrophobicContact CD2-CE2 4.28Å; F160-F166 HydrophobicContact CE2-CE2 4.03Å; F160-F166 HydrophobicContact CE2-CZ 4.28Å; F160-V169 HydrophobicContact CD2-CG1 4.42Å; F160-V169 HydrophobicContact CE2-CG1 3.68Å | ||
| 161 | N | 65.9 | Low | 81.2 | Confident | 105 Ų | 105 | 36.3 Ų | 36.3 | 56% | 0.561 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -97.2 | 25.5 | 176.7 | -73.5 | -23.8 | 0 | 0 | 0 | 112.8 | R296 | N161-R296 VanDerWaalsContact O-CZ 3.31Å; N161-R296 PolarHBondContact O-NH1 3.13Å; N161-R296 PolarHBondContact O-NH2 3.32Å |
| 162 | K | 67.1 | Low | 80.9 | Confident | 156 Ų | 156 | 36.1 Ų | 36.1 | 68% | 0.678 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -135 | 160.8 | 168.2 | -65.1 | -171.8 | 178.8 | -175.8 | 0 | 107.6 | F160 F164 | F160-K162 VanDerWaalsContact C-N 3.35Å; K162-F164 HydrophobicContact CB-CD2 4.46Å; K162-F164 HydrophobicContact CB-CE2 3.81Å; K162-F164 HydrophobicContact CB-CZ 4.38Å; K162-F164 WeakPolarHBondContact O-CD2 3.46Å |
| 163 | D | 64.1 | Low | 80 | Confident | 142 Ų | 142 | 36.6 Ų | 36.6 | 76% | 0.759 | 19% | 0.191 | S | C | * | . | trans | -86.3 | 121.3 | -179.1 | -44.5 | -44.9 | 0 | 0 | 0 | 107.2 | R296 | D163-R296 IonicContact OD1-NH1 2.88Å; D163-R296 PolarHBondContact OD1-NH1 2.9Å; D163-R296 IonicContact OD2-NH1 3.42Å | ||
| 164 | F | 71 | Confident | 78.8 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | trans | -106.4 | 153.5 | -174.3 | -83.6 | -83.2 | 0 | 0 | 0 | 110.6 | P27 F160 K162 F166 | P27-F164 HydrophobicContact CG-CE1 3.49Å; P27-F164 VanDerWaalsContact CG-CE1 3.49Å; P27-F164 HydrophobicContact CG-CZ 3.58Å; F160-F164 HydrophobicContact CB-CD2 3.64Å; F160-F164 HydrophobicContact CB-CE2 3.58Å; F160-F164 HydrophobicContact CD1-CE2 4.2Å; F160-F164 HydrophobicContact CD2-CD2 4.02Å; F160-F164 HydrophobicContact CD2-CE2 4.26Å; F160-F164 AromaticContact CG-CD2 3.91Å; F160-F164 HydrophobicContact CG-CD2 3.91Å; F160-F164 AromaticContact CG-CE2 3.77Å; F160-F164 HydrophobicContact CG-CE2 3.77Å; K162-F164 HydrophobicContact CB-CD2 4.46Å; K162-F164 HydrophobicContact CB-CE2 3.81Å; K162-F164 HydrophobicContact CB-CZ 4.38Å; K162-F164 WeakPolarHBondContact O-CD2 3.46Å; F164-F166 HydrophobicContact CB-CD1 4.14Å; F164-F166 HydrophobicContact CB-CD2 4.19Å; F164-F166 HydrophobicContact CB-CE1 3.9Å; F164-F166 HydrophobicContact CB-CE2 3.94Å; F164-F166 HydrophobicContact CB-CG 4.28Å; F164-F166 HydrophobicContact CB-CZ 3.79Å; F164-F166 AromaticContact CD1-CE1 3.72Å; F164-F166 HydrophobicContact CD1-CE1 3.72Å; F164-F166 HydrophobicContact CD1-CE2 4.49Å; F164-F166 AromaticContact CD1-CZ 3.61Å; F164-F166 HydrophobicContact CD1-CZ 3.61Å; F164-F166 HydrophobicContact CG-CE1 4.12Å; F164-F166 HydrophobicContact CG-CE2 4.23Å; F164-F166 AromaticContact CG-CZ 3.78Å; F164-F166 HydrophobicContact CG-CZ 3.78Å; F164-F166 PolarHBondContact O-N 3.5Å | ||
| 165 | P | 78.9 | Confident | 78 | Confident | 109 Ų | 109 | 37.4 Ų | 37.4 | 71% | 0.708 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -76.8 | 36.2 | 177 | 36.1 | -37.1 | 0 | 0 | 0 | 111.9 | ||
| 166 | F | 85.8 | Confident | 76.9 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | trans | -159.2 | 128 | 177.5 | 49.5 | -96.6 | 0 | 0 | 0 | 110.8 | F26 Y35 G37 L38 D39 S156 F160 F164 S168 V169 | F26-F166 AromaticContact CD1-CE1 3.95Å; F26-F166 HydrophobicContact CD1-CE1 3.95Å; F26-F166 HydrophobicContact CD1-CZ 4.19Å; F26-F166 HydrophobicContact CE1-CD1 4.15Å; F26-F166 AromaticContact CE1-CE1 3.58Å; F26-F166 HydrophobicContact CE1-CE1 3.58Å; F26-F166 HydrophobicContact CE1-CZ 4.12Å; Y35-F166 HydrophobicContact CE2-CE2 4.42Å; Y35-F166 HydrophobicContact CE2-CZ 4.13Å; G37-F166 VanDerWaalsContact CA-CG 3.5Å; L38-F166 WeakPolarHBondContact O-CB 3.2Å; D39-F166 HydrophobicContact CB-CB 4.21Å; D39-F166 WeakPolarHBondContact OD1-CA 3.05Å; S156-F166 WeakPolarHBondContact CB-O 3.37Å; S156-F166 PolarHBondContact OG-O 3.08Å; F160-F166 HydrophobicContact CD2-CE2 4.28Å; F160-F166 HydrophobicContact CE2-CE2 4.03Å; F160-F166 HydrophobicContact CE2-CZ 4.28Å; F164-F166 HydrophobicContact CB-CD1 4.14Å; F164-F166 HydrophobicContact CB-CD2 4.19Å; F164-F166 HydrophobicContact CB-CE1 3.9Å; F164-F166 HydrophobicContact CB-CE2 3.94Å; F164-F166 HydrophobicContact CB-CG 4.28Å; F164-F166 HydrophobicContact CB-CZ 3.79Å; F164-F166 AromaticContact CD1-CE1 3.72Å; F164-F166 HydrophobicContact CD1-CE1 3.72Å; F164-F166 HydrophobicContact CD1-CE2 4.49Å; F164-F166 AromaticContact CD1-CZ 3.61Å; F164-F166 HydrophobicContact CD1-CZ 3.61Å; F164-F166 HydrophobicContact CG-CE1 4.12Å; F164-F166 HydrophobicContact CG-CE2 4.23Å; F164-F166 AromaticContact CG-CZ 3.78Å; F164-F166 HydrophobicContact CG-CZ 3.78Å; F164-F166 PolarHBondContact O-N 3.5Å; F166-S168 WeakPolarHBondContact CD2-O 3.3Å; F166-V169 HydrophobicContact CD2-CG1 4.42Å; F166-V169 HydrophobicContact CE2-CG1 3.88Å | ||
| 167 | H | 86.5 | Confident | 75.6 | Confident | 38 Ų | 38 | 42 Ų | 42 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -73.3 | -26.3 | -179.4 | 61.1 | 67.5 | 0 | 0 | 0 | 113.6 | L38 D39 Y40 V128 S156 | L38-H167 PolarHBondContact O-CE1 2.9Å; L38-H167 PolarHBondContact O-N 3.46Å; L38-H167 PolarHBondContact O-NE2 3.23Å; D39-H167 IonicContact OD1-CD2 3.17Å; D39-H167 PolarHBondContact OD1-CD2 3.3Å; D39-H167 PolarHBondContact OD1-N 3.28Å; Y40-H167 AromaticContact CD1-CE1 3.91Å; Y40-H167 AromaticContact CD1-NE2 3.77Å; Y40-H167 AromaticContact CD2-NE2 3.78Å; Y40-H167 AromaticContact CE1-CE1 3.5Å; Y40-H167 AromaticContact CE1-NE2 3.84Å; Y40-H167 AromaticContact CE2-CE1 3.79Å; Y40-H167 AromaticContact CE2-NE2 3.83Å; Y40-H167 AromaticContact CG-NE2 3.73Å; Y40-H167 AromaticContact CZ-CE1 3.41Å; Y40-H167 VanDerWaalsContact CZ-CE1 3.41Å; Y40-H167 AromaticContact CZ-NE2 3.84Å; Y40-H167 PolarHBondContact N-NE2 2.91Å; Y40-H167 PolarHBondContact O-NE2 2.91Å; V128-H167 WeakPolarHBondContact CG1-ND1 3.37Å; V128-H167 HydrophobicContact CG2-CB 4.34Å; S156-H167 PolarHBondContact N-O 3.44Å; S156-H167 PolarHBondContact OG-O 2.91Å |
| 168 | S | 89.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.9 | -179.5 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | L38 V128 E154 F166 | L38-S168 PolarHBondContact N-O 2.76Å; L38-S168 PolarHBondContact O-N 3.03Å; V128-S168 WeakPolarHBondContact CG1-OG 3.21Å; E154-S168 CarbonylContact O-C 3.56Å; E154-S168 WeakPolarHBondContact O-CA 3.4Å; E154-S168 WeakPolarHBondContact O-CB 3.33Å; F166-S168 WeakPolarHBondContact CD2-O 3.3Å |
| 169 | V | 89.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 148.1 | 160.7 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | F32 Y35 D36 I153 E154 Y159 F160 F166 Y171 | F32-V169 HydrophobicContact CE2-CG2 4.12Å; Y35-V169 HydrophobicContact CD2-CB 4.27Å; Y35-V169 HydrophobicContact CD2-CG1 3.73Å; Y35-V169 HydrophobicContact CE2-CG1 4.09Å; D36-V169 WeakPolarHBondContact O-CA 3.44Å; I153-V169 WeakPolarHBondContact CA-O 3.48Å; E154-V169 HydrophobicContact CB-CG2 4.48Å; E154-V169 PolarHBondContact N-O 2.89Å; E154-V169 WeakPolarHBondContact O-CG2 3.17Å; E154-V169 PolarHBondContact O-N 2.74Å; Y159-V169 HydrophobicContact CD2-CG2 3.75Å; Y159-V169 HydrophobicContact CE2-CG2 3.71Å; F160-V169 HydrophobicContact CD2-CG1 4.42Å; F160-V169 HydrophobicContact CE2-CG1 3.68Å; F166-V169 HydrophobicContact CD2-CG1 4.42Å; F166-V169 HydrophobicContact CE2-CG1 3.88Å; V169-Y171 HydrophobicContact CG2-CD1 4.43Å |
| 170 | I | 90.1 | Very high | 70.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133 | 162.1 | -173.6 | 173.4 | 0 | 0 | 0 | 109.4 | Y35 D36 L38 A67 F68 Y151 F152 I153 | Y35-I170 WeakPolarHBondContact CA-O 3.43Å; D36-I170 HydrophobicContact CB-CG2 3.75Å; D36-I170 PolarHBondContact N-O 3.42Å; D36-I170 PolarHBondContact O-N 3.04Å; L38-I170 HydrophobicContact CD1-CB 3.96Å; L38-I170 HydrophobicContact CD1-CG2 4.12Å; L38-I170 HydrophobicContact CD2-CG2 3.79Å; L38-I170 HydrophobicContact CG-CB 4.13Å; L38-I170 HydrophobicContact CG-CG2 3.82Å; A67-I170 HydrophobicContact CB-CD1 3.88Å; A67-I170 HydrophobicContact CB-CG2 3.56Å; F68-I170 HydrophobicContact CE2-CG1 4.3Å; F68-I170 HydrophobicContact CE2-CG2 4.12Å; F68-I170 WeakPolarHBondContact CZ-O 3.42Å; Y151-I170 HydrophobicContact CD1-CD1 4.48Å; Y151-I170 HydrophobicContact CD1-CG1 4.46Å; Y151-I170 HydrophobicContact CG-CD1 4.42Å; F152-I170 WeakPolarHBondContact O-CA 3.5Å; I153-I170 HydrophobicContact CD1-CD1 4.01Å; I153-I170 HydrophobicContact CG1-CB 4.04Å; I153-I170 HydrophobicContact CG1-CD1 3.77Å; I153-I170 HydrophobicContact CG1-CG1 3.72Å |
| 171 | Y | 84.2 | Confident | 69.1 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.3 | -179.6 | 64.6 | -91.5 | 0 | 0 | 0 | 110.7 | F32 Y151 F152 E154 V169 V176 | F32-Y171 HydrophobicContact CD1-CD1 4.08Å; F32-Y171 AromaticContact CD1-CD2 3.81Å; F32-Y171 HydrophobicContact CD1-CD2 3.81Å; F32-Y171 HydrophobicContact CD1-CE2 4.37Å; F32-Y171 AromaticContact CD1-CG 3.64Å; F32-Y171 HydrophobicContact CD1-CG 3.64Å; F32-Y171 AromaticContact CE1-CD1 3.34Å; F32-Y171 HydrophobicContact CE1-CD1 3.34Å; F32-Y171 AromaticContact CE1-CD2 3.46Å; F32-Y171 HydrophobicContact CE1-CD2 3.46Å; F32-Y171 VanDerWaalsContact CE1-CD2 3.46Å; F32-Y171 AromaticContact CE1-CE1 3.49Å; F32-Y171 HydrophobicContact CE1-CE1 3.49Å; F32-Y171 VanDerWaalsContact CE1-CE1 3.49Å; F32-Y171 AromaticContact CE1-CE2 3.64Å; F32-Y171 HydrophobicContact CE1-CE2 3.64Å; F32-Y171 AromaticContact CE1-CG 3.3Å; F32-Y171 HydrophobicContact CE1-CG 3.3Å; F32-Y171 AromaticContact CE1-CZ 3.62Å; F32-Y171 AromaticContact CE2-CD1 3.98Å; F32-Y171 HydrophobicContact CE2-CD1 3.98Å; F32-Y171 HydrophobicContact CE2-CE1 4.39Å; F32-Y171 HydrophobicContact CE2-CG 4.43Å; F32-Y171 HydrophobicContact CG-CG 4.36Å; F32-Y171 AromaticContact CZ-CD1 3.26Å; F32-Y171 HydrophobicContact CZ-CD1 3.26Å; F32-Y171 HydrophobicContact CZ-CD2 4.28Å; F32-Y171 AromaticContact CZ-CE1 3.36Å; F32-Y171 HydrophobicContact CZ-CE1 3.36Å; F32-Y171 HydrophobicContact CZ-CE2 4.38Å; F32-Y171 AromaticContact CZ-CG 3.74Å; F32-Y171 HydrophobicContact CZ-CG 3.74Å; F32-Y171 AromaticContact CZ-CZ 3.93Å; Y151-Y171 CarbonylContact C-O 3.55Å; Y151-Y171 WeakPolarHBondContact CA-O 3.45Å; F152-Y171 HydrophobicContact CB-CD1 4.26Å; F152-Y171 HydrophobicContact CB-CD2 4.26Å; F152-Y171 HydrophobicContact CB-CE1 3.73Å; F152-Y171 HydrophobicContact CB-CE2 3.7Å; F152-Y171 VanDerWaalsContact CB-CZ 3.44Å; F152-Y171 HydrophobicContact CD2-CD2 4.39Å; F152-Y171 AromaticContact CD2-CE2 3.75Å; F152-Y171 HydrophobicContact CD2-CE2 3.75Å; F152-Y171 HydrophobicContact CG-CE2 4.02Å; F152-Y171 PolarHBondContact N-O 3.09Å; F152-Y171 PolarHBondContact O-N 2.83Å; E154-Y171 HydrophobicContact CG-CE1 4.41Å; E154-Y171 PolarHBondContact OE1-OH 3.25Å; V169-Y171 HydrophobicContact CG2-CD1 4.43Å; Y171-V176 HydrophobicContact CD2-CG2 3.82Å; Y171-V176 HydrophobicContact CE2-CG2 3.51Å |
| 172 | N | 79.8 | Confident | 67.7 | Low | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.011 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 150.4 | 175.5 | -164.5 | -86.4 | 0 | 0 | 0 | 111.1 | Y148 T150 Y151 L174 D175 | Y148-N172 VanDerWaalsContact C-ND2 3.28Å; Y148-N172 PolarHBondContact O-ND2 3.25Å; T150-N172 PolarHBondContact O-ND2 2.93Å; Y151-N172 HydrophobicContact CD1-CB 4.03Å; Y151-N172 WeakPolarHBondContact CD1-ND2 2.99Å; Y151-N172 HydrophobicContact CE1-CB 4.12Å; Y151-N172 WeakPolarHBondContact CE1-ND2 3.36Å; N172-L174 PolarHBondContact O-N 2.89Å; N172-L174 WeakPolarHBondContact OD1-CG 3.3Å; N172-L174 PolarHBondContact OD1-N 3.37Å; N172-L174 VanDerWaalsContact OD1-N 3.09Å; N172-D175 HydrophobicContact CB-CB 4.45Å; N172-D175 WeakPolarHBondContact CB-OD2 3.26Å; N172-D175 PolarHBondContact O-N 3.1Å |
| 173 | S | 69.2 | Low | 66 | Low | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.9 | 175.8 | 84 | 0 | 0 | 0 | 0 | 115 | T150 K499 | T150-S173 VanDerWaalsContact O-CB 3.3Å; T150-S173 WeakPolarHBondContact O-CB 3.2Å; T150-S173 PolarHBondContact O-N 3.01Å; S173-K499 PolarHBondContact OG-NZ 2.98Å |
| 174 | L | 66.1 | Low | 64.6 | Low | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -12.8 | 175.7 | -57.4 | -175.8 | 0 | 0 | 0 | 114 | K146 Y148 N172 D549 | K146-L174 HydrophobicContact CB-CD1 4.14Å; K146-L174 HydrophobicContact CD-CD1 4.18Å; K146-L174 HydrophobicContact CD-CD2 3.71Å; K146-L174 HydrophobicContact CG-CD1 4.27Å; K146-L174 HydrophobicContact CG-CD2 3.9Å; Y148-L174 HydrophobicContact CD1-CD1 4.2Å; Y148-L174 HydrophobicContact CE1-CD1 4.1Å; N172-L174 PolarHBondContact O-N 2.89Å; N172-L174 WeakPolarHBondContact OD1-CG 3.3Å; N172-L174 PolarHBondContact OD1-N 3.37Å; N172-L174 VanDerWaalsContact OD1-N 3.09Å; L174-D549 HydrophobicContact CD2-CB 4.14Å |
| 175 | D | 72.6 | Confident | 62.8 | Low | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | trans | -97.8 | 8.4 | -175 | -80 | -64 | 0 | 0 | 0 | 113.8 | F32 S33 R34 N172 K177 Q691 | F32-D175 CarbonylContact C-O 3.39Å; F32-D175 WeakPolarHBondContact CA-O 3.39Å; S33-D175 PolarHBondContact N-O 3.5Å; S33-D175 WeakPolarHBondContact OG-CA 3.49Å; S33-D175 WeakPolarHBondContact OG-CB 3.22Å; S33-D175 PolarHBondContact OG-O 2.03Å; S33-D175 VanDerWaalsContact OG-O 3.12Å; S33-D175 PolarHBondContact OG-OD1 3.29Å; R34-D175 HydrophobicContact CB-CB 4.28Å; R34-D175 WeakPolarHBondContact CB-OD1 3.21Å; R34-D175 WeakPolarHBondContact O-CB 3.27Å; N172-D175 HydrophobicContact CB-CB 4.45Å; N172-D175 WeakPolarHBondContact CB-OD2 3.26Å; N172-D175 PolarHBondContact O-N 3.1Å; D175-K177 PolarHBondContact O-N 2.04Å; D175-Q691 PolarHBondContact OD1-NE2 3.48Å | ||
| 176 | V | 64.7 | Low | 60.6 | Low | 43 Ų | 43 | 47.4 Ų | 47.4 | 26% | 0.261 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 112.3 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | Y171 A497 | Y171-V176 HydrophobicContact CD2-CG2 3.82Å; Y171-V176 HydrophobicContact CE2-CG2 3.51Å; V176-A497 HydrophobicContact CG1-CB 3.76Å |
| 177 | K | 57.4 | Low | 58 | Low | 71 Ų | 71 | 57.3 Ų | 57.3 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 129 | 162.3 | -68 | 168.7 | 175.6 | 152.6 | 0 | 108 | S29 P30 F31 F32 D175 | S29-K177 WeakPolarHBondContact O-CD 3.32Å; S29-K177 PolarHBondContact O-NZ 3.06Å; P30-K177 WeakPolarHBondContact O-CB 3.35Å; F31-K177 PolarHBondContact O-N 3.42Å; F32-K177 WeakPolarHBondContact O-CD 3.3Å; F32-K177 WeakPolarHBondContact O-CE 3.32Å; F32-K177 PolarHBondContact O-NZ 3.1Å; D175-K177 PolarHBondContact O-N 2.04Å |
| 178 | I | 49.5 | Very low | 55.3 | Low | 66 Ų | 66 | 66 Ų | 66 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 124.5 | 168.4 | -52.5 | 168.1 | 0 | 0 | 0 | 106.6 | P777 G778 | I178-P777 WeakPolarHBondContact CB-O 3.33Å; I178-G778 WeakPolarHBondContact CD1-O 3.35Å |
| 179 | P | 43.4 | Very low | 52.7 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 139.5 | -161.2 | 25.3 | -35.3 | 0 | 0 | 0 | 114.3 | F31 V181 S494 | F31-P179 HydrophobicContact CD1-CB 4.17Å; F31-P179 HydrophobicContact CE1-CB 4.25Å; P179-V181 PolarHBondContact O-N 3.44Å; P179-S494 VanDerWaalsContact CG-CB 3.42Å |
| 180 | T | 38.6 | Very low | 50.1 | Low | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | trans | -84.7 | 99.4 | -179 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | P777 | T180-P777 HydrophobicContact CG2-CB 4.03Å; T180-P777 HydrophobicContact CG2-CG 3.64Å | ||
| 181 | V | 38.4 | Very low | 47.4 | Very low | 32 Ų | 32 | 81.5 Ų | 81.5 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | trans | -56.4 | 137.8 | -178.4 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | P179 Q183 Y492 | P179-V181 PolarHBondContact O-N 3.44Å; V181-Q183 PolarHBondContact O-N 3.45Å; V181-Y492 VanDerWaalsContact CG1-O 3.27Å; V181-Y492 WeakPolarHBondContact CG1-O 3.43Å; V181-Y492 WeakPolarHBondContact CG2-O 3.09Å | ||
| 182 | G | 36.3 | Very low | 44.9 | Very low | 52 Ų | 52 | 89.3 Ų | 89.3 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | trans | -59.5 | 131.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S184 | G182-S184 PolarHBondContact O-N 3.07Š| ||
| 183 | Q | 31.4 | Very low | 42.5 | Very low | 163 Ų | 163 | 94.1 Ų | 94.1 | 76% | 0.762 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -55.7 | -16.9 | -169.2 | -64.1 | 168.9 | -15.3 | 0 | 0 | 116.2 | V181 | V181-Q183 PolarHBondContact O-N 3.45Å |
| 184 | S | 33 | Very low | 40.7 | Very low | 115 Ų | 115 | 96.7 Ų | 96.7 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -90.9 | -24.2 | -168.5 | -46.4 | 0 | 0 | 0 | 0 | 115.4 | G182 | G182-S184 PolarHBondContact O-N 3.07Å |
| 185 | R | 34.5 | Very low | 39.3 | Very low | 204 Ų | 204 | 96.9 Ų | 96.9 | 77% | 0.77 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -93.4 | -36.2 | 179.1 | -82.1 | -174.2 | 172 | -179.1 | -3.7 | 113.1 | R187 R188 | R185-R187 VanDerWaalsContact C-N 3.28Å; R185-R187 PolarHBondContact O-N 3.23Å; R185-R188 PolarHBondContact O-N 3.42Å |
| 186 | M | 31.6 | Very low | 37.8 | Very low | 37 Ų | 37 | 97 Ų | 97 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -55.8 | -38.3 | -179.2 | -102.7 | -179.7 | 166.4 | 0 | 0 | 113.5 | R188 A189 V190 V790 | M186-R188 PolarHBondContact O-N 2.82Å; M186-A189 PolarHBondContact O-N 3.2Å; M186-V190 HydrophobicContact CB-CG2 3.92Å; M186-V190 HydrophobicContact CG-CG2 3.86Å; M186-V190 WeakPolarHBondContact O-CB 3.07Å; M186-V190 VanDerWaalsContact O-CG2 3.28Å; M186-V190 WeakPolarHBondContact O-CG2 3.02Å; M186-V190 PolarHBondContact O-N 3.36Å; M186-V190 HydrophobicContact SD-CG2 4.49Å; M186-V790 HydrophobicContact SD-CG2 3.76Å |
| 187 | R | 31.2 | Very low | 36.9 | Very low | 220 Ų | 220 | 95.5 Ų | 95.5 | 83% | 0.83 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -12.8 | -176.1 | -78.7 | -170.9 | 175.3 | -174.4 | -0.4 | 116.2 | R185 | R185-R187 VanDerWaalsContact C-N 3.28Å; R185-R187 PolarHBondContact O-N 3.23Å |
| 188 | R | 30.7 | Very low | 36.4 | Very low | 222 Ų | 222 | 92.1 Ų | 92.1 | 84% | 0.838 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -8.4 | 173.3 | -66.4 | -172.8 | -173.6 | 165.6 | 2.3 | 114.5 | R185 M186 | R185-R188 PolarHBondContact O-N 3.42Å; M186-R188 PolarHBondContact O-N 2.82Å |
| 189 | A | 34.2 | Very low | 36.1 | Very low | 67 Ų | 67 | 89.4 Ų | 89.4 | 55% | 0.554 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M186 Q191 E192 | M186-A189 PolarHBondContact O-N 3.2Å; A189-Q191 PolarHBondContact O-N 3.22Å; A189-E192 PolarHBondContact O-N 3.09Å |
| 190 | V | 35.8 | Very low | 36.2 | Very low | 81 Ų | 81 | 89 Ų | 89 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -0.7 | -173.1 | 169.6 | 0 | 0 | 0 | 0 | 114.3 | M186 | M186-V190 HydrophobicContact CB-CG2 3.92Å; M186-V190 HydrophobicContact CG-CG2 3.86Å; M186-V190 WeakPolarHBondContact O-CB 3.07Å; M186-V190 VanDerWaalsContact O-CG2 3.28Å; M186-V190 WeakPolarHBondContact O-CG2 3.02Å; M186-V190 PolarHBondContact O-N 3.36Å; M186-V190 HydrophobicContact SD-CG2 4.49Å |
| 191 | Q | 33.4 | Very low | 36.2 | Very low | 180 Ų | 180 | 85.7 Ų | 85.7 | 84% | 0.841 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.3 | 177.8 | -153.1 | 161.1 | 7.2 | 0 | 0 | 113.5 | A189 | A189-Q191 PolarHBondContact O-N 3.22Š|
| 192 | E | 31 | Very low | 36.2 | Very low | 168 Ų | 168 | 89.3 Ų | 89.3 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -141.8 | 158.4 | 174.6 | -64.3 | -171 | 114.5 | 0 | 0 | 112.5 | A189 | A189-E192 PolarHBondContact O-N 3.09Š|
| 193 | M | 29.4 | Very low | 36.2 | Very low | 103 Ų | 103 | 88.3 Ų | 88.3 | 51% | 0.507 | 42% | 0.422 | S | S | . | . | trans | 83.4 | 135.9 | 169.8 | -47.6 | -169.3 | 77.4 | 0 | 0 | 119.8 | ||||
| 194 | D | 30.9 | Very low | 36.7 | Very low | 66 Ų | 66 | 85.8 Ų | 85.8 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | trans | -73.5 | 146.5 | 171.3 | -74 | -41.3 | 0 | 0 | 0 | 111.7 | K196 G447 R805 | D194-K196 PolarHBondContact O-N 2.95Å; D194-G447 WeakPolarHBondContact O-CA 3.44Å; D194-R805 IonicContact OD1-NH2 2.92Å; D194-R805 IonicContact OD2-CZ 3.65Å; D194-R805 VanDerWaalsContact OD2-CZ 3.28Å; D194-R805 IonicContact OD2-NH1 2.7Å; D194-R805 PolarHBondContact OD2-NH1 3.28Å; D194-R805 IonicContact OD2-NH2 2.84Å; D194-R805 PolarHBondContact OD2-NH2 2.64Å | ||
| 195 | L | 36.7 | Very low | 37.1 | Very low | 29 Ų | 29 | 83.1 Ų | 83.1 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | trans | -94.3 | 82 | -173.3 | -82.7 | 71.2 | 0 | 0 | 0 | 113.6 | G447 Y492 L795 L796 V797 | L195-G447 CarbonylContact C-O 3.55Å; L195-G447 WeakPolarHBondContact CA-O 3.24Å; L195-Y492 WeakPolarHBondContact CB-OH 3.32Å; L195-Y492 HydrophobicContact CD2-CE1 4.37Å; L195-Y492 HydrophobicContact CD2-CE2 4.28Å; L195-Y492 VanDerWaalsContact CD2-OH 3.28Å; L195-Y492 WeakPolarHBondContact CD2-OH 3.36Å; L195-Y492 HydrophobicContact CG-CE1 4.38Å; L195-Y492 VanDerWaalsContact CG-OH 3.29Å; L195-Y492 WeakPolarHBondContact CG-OH 3.43Å; L195-L795 HydrophobicContact CD1-CB 4.07Å; L195-L795 HydrophobicContact CD1-CD1 4.19Å; L195-L795 HydrophobicContact CD2-CB 3.6Å; L195-L795 HydrophobicContact CD2-CD1 3.65Å; L195-L795 HydrophobicContact CD2-CG 4.29Å; L195-L795 HydrophobicContact CG-CB 4.39Å; L195-L796 PolarHBondContact N-O 3.14Å; L195-L796 VanDerWaalsContact N-O 3.08Å; L195-V797 WeakPolarHBondContact O-CA 3.28Å; L195-V797 VanDerWaalsContact O-CB 3.3Å; L195-V797 WeakPolarHBondContact O-CB 3.25Å; L195-V797 WeakPolarHBondContact O-CG1 3.37Å; L195-V797 WeakPolarHBondContact O-CG2 3.18Å | ||
| 196 | K | 40.7 | Very low | 37.5 | Very low | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | trans | -84 | 125.5 | -176.5 | -66.4 | 162.5 | 175.8 | -77.5 | 0 | 113.2 | D194 L200 G447 G448 T449 D798 E800 | D194-K196 PolarHBondContact O-N 2.95Å; K196-L200 VanDerWaalsContact CD-C 3.48Å; K196-L200 VanDerWaalsContact CD-O 3.26Å; K196-L200 WeakPolarHBondContact CD-O 3.37Å; K196-L200 WeakPolarHBondContact CE-O 3.48Å; K196-L200 PolarHBondContact NZ-O 2.91Å; K196-G447 PolarHBondContact N-O 3.31Å; K196-G447 CarbonylContact O-C 3.59Å; K196-G448 CarbonylContact O-C 3.54Å; K196-T449 WeakPolarHBondContact O-CA 3.35Å; K196-T449 WeakPolarHBondContact O-CB 3.46Å; K196-T449 PolarHBondContact O-N 3.36Å; K196-T449 PolarHBondContact O-OG1 3.12Å; K196-D798 WeakPolarHBondContact CE-O 3.4Å; K196-D798 WeakPolarHBondContact CG-O 3.35Å; K196-D798 PolarHBondContact NZ-O 3.4Å; K196-E800 PolarHBondContact NZ-O 3.14Å | ||
| 197 | F | 47.7 | Very low | 38.1 | Very low | 10 Ų | 10 | 76.9 Ų | 76.9 | 4% | 0.044 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -88.6 | -47.8 | -177.8 | 177.1 | -100.1 | 0 | 0 | 0 | 113.2 | T449 I450 A545 Y787 V797 | F197-T449 CarbonylContact O-C 3.56Å; F197-T449 VanDerWaalsContact O-CA 3.29Å; F197-T449 WeakPolarHBondContact O-CA 3.23Å; F197-I450 HydrophobicContact CD2-CD1 4.17Å; F197-I450 HydrophobicContact CD2-CG1 3.93Å; F197-I450 HydrophobicContact CE2-CD1 3.3Å; F197-I450 HydrophobicContact CE2-CG1 3.5Å; F197-I450 HydrophobicContact CZ-CD1 3.62Å; F197-I450 HydrophobicContact CZ-CG1 3.84Å; F197-I450 PolarHBondContact O-N 3.2Å; F197-A545 HydrophobicContact CD1-CB 4.44Å; F197-A545 HydrophobicContact CD2-CB 3.49Å; F197-A545 VanDerWaalsContact CD2-CB 3.49Å; F197-A545 HydrophobicContact CE1-CB 4.3Å; F197-A545 HydrophobicContact CE2-CB 3.28Å; F197-A545 HydrophobicContact CG-CB 4.07Å; F197-A545 HydrophobicContact CZ-CB 3.74Å; F197-Y787 WeakPolarHBondContact CB-OH 3.49Å; F197-V797 HydrophobicContact CB-CG1 4.06Å |
| 198 | C | 46.3 | Very low | 39 | Very low | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -130.5 | 144.5 | 160.7 | 176 | 0 | 0 | 0 | 0 | 107 | E508 H511 A799 | C198-E508 PolarHBondContact SG-OE1 2.99Å; C198-H511 PolarHBondContact SG-NE2 3.23Å; C198-A799 WeakPolarHBondContact O-CB 3.46Å |
| 199 | G | 43.3 | Very low | 39.8 | Very low | 8 Ų | 8 | 59.8 Ų | 59.8 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 96.8 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 200 | L | 45.4 | Very low | 40.5 | Very low | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | trans | -94.9 | 137.6 | -144.1 | -61.4 | 110.4 | 0 | 0 | 0 | 115.6 | K196 Y202 V206 M209 T420 L452 | K196-L200 VanDerWaalsContact CD-C 3.48Å; K196-L200 VanDerWaalsContact CD-O 3.26Å; K196-L200 WeakPolarHBondContact CD-O 3.37Å; K196-L200 WeakPolarHBondContact CE-O 3.48Å; K196-L200 PolarHBondContact NZ-O 2.91Å; L200-Y202 PolarHBondContact O-N 3.13Å; L200-V206 HydrophobicContact CB-CG2 3.58Å; L200-V206 HydrophobicContact CD1-CB 4.49Å; L200-V206 HydrophobicContact CD1-CG1 4.38Å; L200-V206 HydrophobicContact CD1-CG2 3.81Å; L200-V206 HydrophobicContact CD2-CG2 4.47Å; L200-V206 HydrophobicContact CG-CG2 4.15Å; L200-M209 HydrophobicContact CD1-CE 3.58Å; L200-M209 HydrophobicContact CD2-CE 3.55Å; L200-M209 HydrophobicContact CD2-SD 3.98Å; L200-M209 HydrophobicContact CG-CE 4.15Å; L200-T420 HydrophobicContact CD2-CG2 3.36Å; L200-L452 HydrophobicContact CG-CD1 4.42Å | ||
| 201 | S | 38.6 | Very low | 41.2 | Very low | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -59.2 | -38.3 | 175 | 45.2 | 0 | 0 | 0 | 0 | 113.9 | D418 | S201-D418 PolarHBondContact OG-OD1 3.15Š|
| 202 | Y | 38.8 | Very low | 42.1 | Very low | 108 Ų | 108 | 50.7 Ų | 50.7 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | trans | -124.5 | 135.6 | -166.5 | -65.9 | -70.9 | 0 | 0 | 0 | 115.8 | L200 N204 I205 V206 | L200-Y202 PolarHBondContact O-N 3.13Å; Y202-N204 PolarHBondContact O-N 2.82Å; Y202-I205 HydrophobicContact CD2-CD1 4.11Å; Y202-I205 HydrophobicContact CG-CD1 4.36Å; Y202-I205 PolarHBondContact O-N 3.38Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.5Å; Y202-V206 PolarHBondContact O-N 3.14Å | ||
| 203 | P | 36.4 | Very low | 42.8 | Very low | 30 Ų | 30 | 43.6 Ų | 43.6 | 20% | 0.195 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | -172.4 | 25.3 | -33.3 | 0 | 0 | 0 | 113.3 | I205 V206 Q207 P802 L803 | P203-I205 PolarHBondContact O-N 2.88Å; P203-V206 PolarHBondContact O-N 3.13Å; P203-Q207 PolarHBondContact O-N 3.34Å; P203-P802 HydrophobicContact CB-CB 3.87Å; P203-P802 HydrophobicContact CB-CG 4.32Å; P203-P802 HydrophobicContact CG-CB 4.09Å; P203-P802 HydrophobicContact CG-CG 4.36Å; P203-L803 HydrophobicContact CB-CB 3.83Å; P203-L803 HydrophobicContact CB-CD1 4.48Å; P203-L803 VanDerWaalsContact CB-N 3.29Å |
| 204 | N | 40.2 | Very low | 43.6 | Very low | 111 Ų | 111 | 43.5 Ų | 43.5 | 59% | 0.594 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.7 | -27.1 | -175.6 | -56.2 | -12.2 | 0 | 0 | 0 | 111.4 | Y202 Q207 E208 | Y202-N204 PolarHBondContact O-N 2.82Å; N204-Q207 WeakPolarHBondContact O-CB 3.49Å; N204-Q207 PolarHBondContact O-N 2.94Å; N204-E208 PolarHBondContact O-N 3.45Å |
| 205 | I | 42.4 | Very low | 44.2 | Very low | 58 Ų | 58 | 43.4 Ų | 43.4 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -83.9 | -36.6 | -179.3 | -40.2 | -179.7 | 0 | 0 | 0 | 110.4 | Y202 P203 Q207 E208 M209 T420 | Y202-I205 HydrophobicContact CD2-CD1 4.11Å; Y202-I205 HydrophobicContact CG-CD1 4.36Å; Y202-I205 PolarHBondContact O-N 3.38Å; P203-I205 PolarHBondContact O-N 2.88Å; I205-Q207 PolarHBondContact O-N 3.34Å; I205-E208 PolarHBondContact O-N 2.67Å; I205-E208 VanDerWaalsContact O-N 3.1Å; I205-M209 WeakPolarHBondContact O-CG 3.29Å; I205-M209 PolarHBondContact O-N 2.89Å; I205-T420 HydrophobicContact CB-CG2 4.48Å; I205-T420 HydrophobicContact CG2-CG2 3.51Å |
| 206 | V | 43.6 | Very low | 44.7 | Very low | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -40.1 | 165.3 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | L200 Y202 P203 S210 | L200-V206 HydrophobicContact CB-CG2 3.58Å; L200-V206 HydrophobicContact CD1-CB 4.49Å; L200-V206 HydrophobicContact CD1-CG1 4.38Å; L200-V206 HydrophobicContact CD1-CG2 3.81Å; L200-V206 HydrophobicContact CD2-CG2 4.47Å; L200-V206 HydrophobicContact CG-CG2 4.15Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.5Å; Y202-V206 PolarHBondContact O-N 3.14Å; P203-V206 PolarHBondContact O-N 3.13Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 2.63Å; V206-S210 PolarHBondContact O-OG 2.03Å |
| 207 | Q | 43.7 | Very low | 44.8 | Very low | 73 Ų | 73 | 50.7 Ų | 50.7 | 34% | 0.341 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.1 | -155.9 | -179.2 | -5.5 | 0 | 0 | 111.4 | P203 N204 I205 S210 K211 L803 | P203-Q207 PolarHBondContact O-N 3.34Å; N204-Q207 WeakPolarHBondContact O-CB 3.49Å; N204-Q207 PolarHBondContact O-N 2.94Å; I205-Q207 PolarHBondContact O-N 3.34Å; Q207-S210 PolarHBondContact O-N 2.85Å; Q207-S210 VanDerWaalsContact O-N 3.17Å; Q207-S210 PolarHBondContact O-OG 3.38Å; Q207-K211 WeakPolarHBondContact O-CG 3.49Å; Q207-K211 PolarHBondContact O-N 3.48Å; Q207-L803 HydrophobicContact CB-CD2 3.84Å; Q207-L803 HydrophobicContact CG-CD2 3.66Å |
| 208 | E | 50.9 | Low | 44.6 | Very low | 45 Ų | 45 | 57.3 Ų | 57.3 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -179.6 | -146.5 | 69 | -175.5 | 0 | 0 | 112.2 | N204 I205 S210 K211 T212 G474 | N204-E208 PolarHBondContact O-N 3.45Å; I205-E208 PolarHBondContact O-N 2.67Å; I205-E208 VanDerWaalsContact O-N 3.1Å; E208-S210 VanDerWaalsContact C-N 3.26Å; E208-S210 PolarHBondContact O-N 2.03Å; E208-K211 WeakPolarHBondContact O-CB 3.39Å; E208-K211 PolarHBondContact O-N 3.32Å; E208-K211 VanDerWaalsContact O-N 3.08Å; E208-K211 IonicContact OE1-NZ 2.78Å; E208-K211 WeakPolarHBondContact OE2-CE 3.2Å; E208-K211 IonicContact OE2-NZ 2.66Å; E208-K211 PolarHBondContact OE2-NZ 3.25Å; E208-T212 PolarHBondContact O-N 3.07Å; E208-T212 VanDerWaalsContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.93Å; E208-G474 PolarHBondContact OE1-N 3.14Å |
| 209 | M | 47.4 | Very low | 44.5 | Very low | 37 Ų | 37 | 62.6 Ų | 62.6 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 175.5 | -59.1 | -159.8 | -35.1 | 0 | 0 | 112.6 | L200 I205 T212 T420 W454 | L200-M209 HydrophobicContact CD1-CE 3.58Å; L200-M209 HydrophobicContact CD2-CE 3.55Å; L200-M209 HydrophobicContact CD2-SD 3.98Å; L200-M209 HydrophobicContact CG-CE 4.15Å; I205-M209 WeakPolarHBondContact O-CG 3.29Å; I205-M209 PolarHBondContact O-N 2.89Å; M209-T212 WeakPolarHBondContact CA-OG1 3.41Å; M209-T212 PolarHBondContact O-OG1 2.74Å; M209-T420 HydrophobicContact SD-CG2 3.98Å; M209-W454 HydrophobicContact CB-CH2 4.16Å; M209-W454 HydrophobicContact CB-CZ3 3.71Å; M209-W454 HydrophobicContact CG-CH2 3.64Å; M209-W454 HydrophobicContact CG-CZ3 3.69Å; M209-W454 HydrophobicContact SD-CE3 4.33Å; M209-W454 HydrophobicContact SD-CH2 3.74Å; M209-W454 HydrophobicContact SD-CZ2 4.26Å; M209-W454 HydrophobicContact SD-CZ3 3.78Å |
| 210 | S | 48.3 | Very low | 44.4 | Very low | 49 Ų | 49 | 69.4 Ų | 69.4 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.4 | -33.4 | 173 | 76.5 | 0 | 0 | 0 | 0 | 113 | V206 Q207 E208 N213 I214 | V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 2.63Å; V206-S210 PolarHBondContact O-OG 2.03Å; Q207-S210 PolarHBondContact O-N 2.85Å; Q207-S210 VanDerWaalsContact O-N 3.17Å; Q207-S210 PolarHBondContact O-OG 3.38Å; E208-S210 VanDerWaalsContact C-N 3.26Å; E208-S210 PolarHBondContact O-N 2.03Å; S210-N213 PolarHBondContact O-N 2.72Å; S210-I214 WeakPolarHBondContact O-CD1 3.02Å; S210-I214 WeakPolarHBondContact O-CG1 3.49Å; S210-I214 PolarHBondContact O-N 2.99Å; S210-I214 VanDerWaalsContact O-N 3.12Å |
| 211 | K | 51 | Low | 43.8 | Very low | 78 Ų | 78 | 71.4 Ų | 71.4 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.4 | -70.4 | 171.7 | -167.3 | 168.6 | 0 | 110.9 | Q207 E208 N213 I214 E215 | Q207-K211 WeakPolarHBondContact O-CG 3.49Å; Q207-K211 PolarHBondContact O-N 3.48Å; E208-K211 WeakPolarHBondContact O-CB 3.39Å; E208-K211 PolarHBondContact O-N 3.32Å; E208-K211 VanDerWaalsContact O-N 3.08Å; E208-K211 IonicContact OE1-NZ 2.78Å; E208-K211 WeakPolarHBondContact OE2-CE 3.2Å; E208-K211 IonicContact OE2-NZ 2.66Å; E208-K211 PolarHBondContact OE2-NZ 3.25Å; K211-N213 PolarHBondContact O-N 2.83Å; K211-I214 PolarHBondContact O-N 3.31Å; K211-E215 PolarHBondContact O-N 3.1Å |
| 212 | T | 52.3 | Low | 43.6 | Very low | 11 Ų | 11 | 77.5 Ų | 77.5 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 178.9 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | E208 M209 M471 | E208-T212 PolarHBondContact O-N 3.07Å; E208-T212 VanDerWaalsContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.93Å; M209-T212 WeakPolarHBondContact CA-OG1 3.41Å; M209-T212 PolarHBondContact O-OG1 2.74Å; T212-M471 HydrophobicContact CG2-CB 4.37Å; T212-M471 HydrophobicContact CG2-CE 4.39Å |
| 213 | N | 44.3 | Very low | 43 | Very low | 18 Ų | 18 | 77.5 Ų | 77.5 | 10% | 0.096 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -80.9 | -23.4 | 173.7 | -76.9 | 32.4 | 0 | 0 | 0 | 113.8 | S210 K211 E457 A461 | S210-N213 PolarHBondContact O-N 2.72Å; K211-N213 PolarHBondContact O-N 2.83Å; N213-E457 PolarHBondContact ND2-OE2 2.83Å; N213-A461 PolarHBondContact ND2-O 3Å |
| 214 | I | 46.2 | Very low | 42.7 | Very low | 102 Ų | 102 | 81.9 Ų | 81.9 | 52% | 0.523 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -85.7 | -43.3 | -177.6 | -71.8 | 166.2 | 0 | 0 | 0 | 112 | S210 K211 D216 R217 | S210-I214 WeakPolarHBondContact O-CD1 3.02Å; S210-I214 WeakPolarHBondContact O-CG1 3.49Å; S210-I214 PolarHBondContact O-N 2.99Å; S210-I214 VanDerWaalsContact O-N 3.12Å; K211-I214 PolarHBondContact O-N 3.31Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3.17Å; I214-R217 WeakPolarHBondContact O-CB 3.26Å; I214-R217 PolarHBondContact O-N 3Å; I214-R217 VanDerWaalsContact O-N 3.09Å |
| 215 | E | 45 | Very low | 42.1 | Very low | 63 Ų | 63 | 85.5 Ų | 85.5 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | -174.7 | -73.3 | -167.2 | -173.1 | 0 | 0 | 114 | K211 R217 E218 K219 L472 | K211-E215 PolarHBondContact O-N 3.1Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 2.98Å; E215-E218 PolarHBondContact O-N 3.09Å; E215-K219 PolarHBondContact O-N 3.35Å; E215-K219 IonicContact OE2-NZ 3.47Å; E215-L472 WeakPolarHBondContact OE1-CD2 3.46Å |
| 216 | D | 45.9 | Very low | 41.2 | Very low | 22 Ų | 22 | 94.5 Ų | 94.5 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.3 | -21.5 | 178.8 | -75.9 | -20.6 | 0 | 0 | 0 | 112.7 | I214 E218 K219 H220 R469 | I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3.17Å; D216-E218 VanDerWaalsContact C-N 3.34Å; D216-K219 PolarHBondContact O-N 2.75Å; D216-K219 IonicContact OD1-NZ 2.63Å; D216-H220 PolarHBondContact O-N 3.26Å; D216-H220 VanDerWaalsContact O-N 3.17Å; D216-R469 IonicContact OD2-CZ 3.8Å; D216-R469 IonicContact OD2-NE 2.78Å; D216-R469 PolarHBondContact OD2-NE 2.75Å; D216-R469 IonicContact OD2-NH2 2.83Å; D216-R469 PolarHBondContact OD2-NH2 3.34Å |
| 217 | R | 43.3 | Very low | 40.7 | Very low | 166 Ų | 166 | 97.6 Ų | 97.6 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.4 | -31.5 | 172.5 | -56.5 | -177.2 | 78 | 152.2 | 6.3 | 112 | I214 E215 G221 | I214-R217 WeakPolarHBondContact O-CB 3.26Å; I214-R217 PolarHBondContact O-N 3Å; I214-R217 VanDerWaalsContact O-N 3.09Å; E215-R217 VanDerWaalsContact C-N 3.27Å; E215-R217 PolarHBondContact O-N 2.98Å; R217-G221 PolarHBondContact O-N 2.9Å |
| 218 | E | 43.5 | Very low | 39.9 | Very low | 149 Ų | 149 | 102.1 Ų | 102.1 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.4 | -30.4 | 175.9 | -62.5 | -160.9 | 150 | 0 | 0 | 112.5 | E215 D216 N222 | E215-E218 PolarHBondContact O-N 3.09Å; D216-E218 VanDerWaalsContact C-N 3.34Å; E218-N222 PolarHBondContact O-ND2 3.36Å |
| 219 | K | 43.6 | Very low | 39.1 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.3 | -42.1 | 178.6 | -68.8 | 168.7 | -165.5 | 148.7 | 0 | 112.7 | E215 D216 | E215-K219 PolarHBondContact O-N 3.35Å; E215-K219 IonicContact OE2-NZ 3.47Å; D216-K219 PolarHBondContact O-N 2.75Å; D216-K219 IonicContact OD1-NZ 2.63Å |
| 220 | H | 40.7 | Very low | 38.3 | Very low | 150 Ų | 150 | 109.2 Ų | 109.2 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.6 | -13.5 | -179.3 | -79.6 | 87.8 | 0 | 0 | 0 | 114.8 | D216 N222 | D216-H220 PolarHBondContact O-N 3.26Å; D216-H220 VanDerWaalsContact O-N 3.17Å; H220-N222 VanDerWaalsContact C-N 3.26Å; H220-N222 PolarHBondContact O-N 3.44Å |
| 221 | G | 34.7 | Very low | 37.3 | Very low | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -0.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | R217 | R217-G221 PolarHBondContact O-N 2.9Š|
| 222 | N | 32.7 | Very low | 36.4 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 8.7 | -169.5 | -79.4 | -67 | 0 | 0 | 0 | 115.3 | E218 H220 | E218-N222 PolarHBondContact O-ND2 3.36Å; H220-N222 VanDerWaalsContact C-N 3.26Å; H220-N222 PolarHBondContact O-N 3.44Å |
| 223 | T | 28 | Very low | 35.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | trans | -126.1 | 156 | 175.2 | 38.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 224 | V | 28.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 70.9 | 68.4 | 174.1 | -166 | 0 | 0 | 0 | 0 | 116.2 | ||
| 225 | F | 28.6 | Very low | 34.3 | Very low | 188 Ų | 188 | 133 Ų | 133 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | 175.8 | 132.2 | 107.6 | -100.8 | -67.9 | 0 | 0 | 0 | 112.2 | |||||
| 226 | R | 23.1 | Very low | 33.7 | Very low | 247 Ų | 247 | 139.5 Ų | 139.5 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | trans | -148.2 | 85.2 | 177.5 | -166.7 | -176.8 | -168.8 | -176.2 | 4.9 | 111.7 | ||||
| 227 | S | 32.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -140.9 | 127.6 | 177.6 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 228 | N | 27.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -82.1 | 143 | -175.4 | -60.6 | -36.9 | 0 | 0 | 0 | 112.2 | ||||
| 229 | S | 34.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -154.6 | 163.1 | 148 | -164.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 230 | S | 29.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -121.7 | 140.9 | -152 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 231 | F | 29 | Very low | 30.8 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 149.7 | 145.5 | -122.7 | -142.6 | 0 | 0 | 0 | 117 | ||||
| 232 | V | 30.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -143.5 | 171.1 | 31.6 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 233 | K | 30.6 | Very low | 30.5 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -123.9 | 151 | 169.5 | -68.3 | 179.2 | 177.6 | 176.7 | 0 | 112.8 | ||||
| 234 | S | 32.9 | Very low | 30.5 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -154.1 | 142.3 | 150.6 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 235 | P | 35.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -132.2 | 171.9 | 178.5 | 40 | -25.5 | 0 | 0 | 0 | 115.3 | ||||
| 236 | F | 31.1 | Very low | 30.3 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | 156.1 | 165.5 | 147.8 | -101 | -130.4 | 0 | 0 | 0 | 110.8 | ||||
| 237 | S | 30.6 | Very low | 30.5 | Very low | 76 Ų | 76 | 148.7 Ų | 148.7 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | cis | -177.9 | 131.5 | -35 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 238 | R | 31.8 | Very low | 30.3 | Very low | 222 Ų | 222 | 153 Ų | 153 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 63.8 | 164.1 | 158.1 | -74 | 176.1 | 172.4 | 171.2 | -2.4 | 117.7 | ||||
| 239 | N | 32.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | cis | -155.1 | 155.2 | 7.5 | -137.5 | 2.6 | 0 | 0 | 0 | 114.5 | ||||
| 240 | R | 30.1 | Very low | 30.5 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | 33.9 | 129.4 | 150.6 | -69.5 | 175.2 | 177.3 | -176.7 | -2.7 | 123 | ||||
| 241 | G | 32.5 | Very low | 30.5 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 179.7 | 153.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 242 | S | 31.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -172.1 | 161.9 | 179.1 | -154 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 243 | Y | 29.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | cis | -138 | -165.8 | 10.3 | -49.1 | -106.4 | 0 | 0 | 0 | 107.8 | ||||
| 244 | F | 27.5 | Very low | 30.2 | Very low | 177 Ų | 177 | 149 Ų | 149 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -160.7 | 167.2 | 0.1 | -164.8 | -137.9 | 0 | 0 | 0 | 110.5 | ||||
| 245 | L | 27.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 64.9 | 157.2 | 164.7 | -97.1 | 168.7 | 0 | 0 | 0 | 120.3 | ||||
| 246 | E | 25.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 57.8 | 119.6 | 175 | -67.8 | -155.1 | 106 | 0 | 0 | 122.4 | ||||
| 247 | L | 26.9 | Very low | 30.1 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 68.3 | 154.4 | 148.4 | -95.5 | 71 | 0 | 0 | 0 | 121.8 | ||||
| 248 | Q | 30.1 | Very low | 30 | Very low | 193 Ų | 193 | 156.2 Ų | 156.2 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 70.7 | 162.4 | 168.5 | -67.6 | 176.2 | -11.3 | 0 | 0 | 118.4 | ||||
| 249 | S | 31.7 | Very low | 29.9 | Very low | 110 Ų | 110 | 154 Ų | 154 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -103.6 | -170.4 | -172.5 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 250 | P | 34.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -132 | 159.7 | -15.7 | 35.2 | -18.3 | 0 | 0 | 0 | 114.5 | ||||
| 251 | F | 27.8 | Very low | 29.7 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -167.6 | 150.7 | 160.2 | -127.4 | -140.3 | 0 | 0 | 0 | 106.2 | ||||
| 252 | V | 28.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 152 Ų | 152 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | cis | -141.5 | 154.8 | 13 | -148 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 253 | R | 28.1 | Very low | 29.2 | Very low | 219 Ų | 219 | 154.1 Ų | 154.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | cis | -156.2 | 148.9 | 27.2 | -173.5 | 171.5 | -90.7 | 149.6 | -7.2 | 109.7 | ||||
| 254 | S | 28.4 | Very low | 29.3 | Very low | 94 Ų | 94 | 149.4 Ų | 149.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | -100.8 | 124.6 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 255 | F | 32.3 | Very low | 29.5 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -89.5 | 102.1 | 160.3 | -105.8 | -88.6 | 0 | 0 | 0 | 108.4 | L257 | F255-L257 PolarHBondContact O-N 3.15Š| ||
| 256 | K | 29.8 | Very low | 30 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -80.1 | 102.9 | 170.5 | -73.3 | -169.4 | 175.2 | -172 | 0 | 109.7 | ||||
| 257 | L | 35.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -77.1 | 150.8 | 156 | -131.2 | 68.7 | 0 | 0 | 0 | 108.8 | F255 | F255-L257 PolarHBondContact O-N 3.15Š| ||
| 258 | P | 29.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | -67.8 | 142.5 | -172 | -21.8 | 34.5 | 0 | 0 | 0 | 113.7 | L260 | P258-L260 PolarHBondContact O-N 3.07Å; P258-L260 VanDerWaalsContact O-N 3.13Å | ||
| 259 | H | 28.6 | Very low | 32.2 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -66.7 | 107.2 | 162.5 | -94.2 | -103.9 | 0 | 0 | 0 | 109.5 | V261 | H259-V261 HydrophobicContact CB-CG2 4.37Å; H259-V261 VanDerWaalsContact ND1-CG2 3.25Å; H259-V261 WeakPolarHBondContact ND1-CG2 3.36Å | ||
| 260 | L | 29.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -110 | 93 | 146.1 | -95.3 | 166.2 | 0 | 0 | 0 | 106.9 | P258 N262 | P258-L260 PolarHBondContact O-N 3.07Å; P258-L260 VanDerWaalsContact O-N 3.13Å; L260-N262 PolarHBondContact O-N 2.73Å | ||
| 261 | V | 28.5 | Very low | 34 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | -72.5 | 109.6 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | H259 N263 | H259-V261 HydrophobicContact CB-CG2 4.37Å; H259-V261 VanDerWaalsContact ND1-CG2 3.25Å; H259-V261 WeakPolarHBondContact ND1-CG2 3.36Å; V261-N263 VanDerWaalsContact CG1-OD1 3.23Å; V261-N263 WeakPolarHBondContact CG1-OD1 3.4Å | ||
| 262 | N | 26.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -122.9 | 103.9 | 162.7 | -156.3 | 9.5 | 0 | 0 | 0 | 107 | L260 N264 | L260-N262 PolarHBondContact O-N 2.73Å; N262-N264 PolarHBondContact O-N 3.3Å | ||
| 263 | N | 27.7 | Very low | 36.6 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -76.1 | 36.6 | -171.5 | -80.5 | -8 | 0 | 0 | 0 | 113.1 | V261 S265 | V261-N263 VanDerWaalsContact CG1-OD1 3.23Å; V261-N263 WeakPolarHBondContact CG1-OD1 3.4Å; N263-S265 PolarHBondContact O-N 3.28Å | ||
| 264 | N | 30.8 | Very low | 38.1 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | trans | -80 | 75.8 | 169.9 | -75 | 8.2 | 0 | 0 | 0 | 109 | N262 L266 | N262-N264 PolarHBondContact O-N 3.3Å; N264-L266 HydrophobicContact CB-CD1 4.18Å; N264-L266 PolarHBondContact O-N 3.04Å | ||
| 265 | S | 32 | Very low | 40 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 80% | 0.797 | 60% | 0.596 | S | S | * | * | trans | -63.9 | 81.6 | 150.4 | 56.4 | 0 | 0 | 0 | 0 | 107.3 | N263 S267 | N263-S265 PolarHBondContact O-N 3.28Å; S265-S267 VanDerWaalsContact C-N 3.28Å; S265-S267 PolarHBondContact O-N 2.83Å | ||
| 266 | L | 37.8 | Very low | 42.6 | Very low | 126 Ų | 126 | 102.4 Ų | 102.4 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | trans | -61.9 | 98.7 | 170.6 | -124.6 | 80.2 | 0 | 0 | 0 | 106 | N264 Y268 | N264-L266 HydrophobicContact CB-CD1 4.18Å; N264-L266 PolarHBondContact O-N 3.04Å; L266-Y268 VanDerWaalsContact C-N 3.26Å; L266-Y268 PolarHBondContact O-N 3.18Å | ||
| 267 | S | 35.4 | Very low | 45.4 | Very low | 111 Ų | 111 | 93.5 Ų | 93.5 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | trans | -62.9 | 97 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | S265 K269 | S265-S267 VanDerWaalsContact C-N 3.28Å; S265-S267 PolarHBondContact O-N 2.83Å; S267-K269 PolarHBondContact O-N 3.32Å; S267-K269 VanDerWaalsContact O-N 3.09Å | ||
| 268 | Y | 46.6 | Very low | 48.2 | Very low | 113 Ų | 113 | 86.3 Ų | 86.3 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | trans | -57.5 | 117.1 | 169 | -162.6 | -85.8 | 0 | 0 | 0 | 105.3 | L266 D270 | L266-Y268 VanDerWaalsContact C-N 3.26Å; L266-Y268 PolarHBondContact O-N 3.18Å; Y268-D270 PolarHBondContact O-N 3.46Å | ||
| 269 | K | 45.9 | Very low | 51.2 | Low | 191 Ų | 191 | 81.2 Ų | 81.2 | 83% | 0.83 | 45% | 0.446 | S | S | * | . | trans | -58.5 | 112.7 | 175.5 | -84.7 | -170.9 | 174.4 | -177.5 | 0 | 106.2 | S267 G271 | S267-K269 PolarHBondContact O-N 3.32Å; S267-K269 VanDerWaalsContact O-N 3.09Å; K269-G271 PolarHBondContact O-N 3Å | ||
| 270 | D | 52.3 | Low | 54.4 | Low | 66 Ų | 66 | 72.9 Ų | 72.9 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | trans | -72.8 | 65.2 | -174.2 | -175.9 | 18.4 | 0 | 0 | 0 | 110.2 | Y268 G272 R339 | Y268-D270 PolarHBondContact O-N 3.46Å; D270-G272 PolarHBondContact O-N 3.5Å; D270-R339 WeakPolarHBondContact OD1-CG 3.16Å; D270-R339 IonicContact OD1-NE 3.62Å; D270-R339 WeakPolarHBondContact OD2-CD 3.37Å; D270-R339 IonicContact OD2-CZ 2.66Å; D270-R339 IonicContact OD2-NE 3.67Å; D270-R339 PolarHBondContact OD2-NE 2.8Å; D270-R339 IonicContact OD2-NH2 3.99Å; D270-R339 PolarHBondContact OD2-NH2 3.22Å | ||
| 271 | G | 51.4 | Low | 57.5 | Low | 24 Ų | 24 | 65.8 Ų | 65.8 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | trans | -57.5 | 130.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | K269 T275 R276 | K269-G271 PolarHBondContact O-N 3Å; G271-T275 VanDerWaalsContact C-OG1 3.25Å; G271-T275 PolarHBondContact O-OG1 2.88Å; G271-R276 VanDerWaalsContact O-CZ 3.29Å; G271-R276 PolarHBondContact O-NH1 3.18Å; G271-R276 PolarHBondContact O-NH2 2.88Å | ||
| 272 | G | 55.9 | Low | 60.8 | Low | 27 Ų | 27 | 61.5 Ų | 61.5 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | trans | -67.4 | -162.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D270 N274 T275 R276 R339 | D270-G272 PolarHBondContact O-N 3.5Å; G272-N274 PolarHBondContact O-N 3.03Å; G272-T275 PolarHBondContact O-N 2.93Å; G272-T275 PolarHBondContact O-OG1 2.02Å; G272-R276 PolarHBondContact O-NH2 2.79Å; G272-R339 CarbonylContact C-O 3.6Å | ||
| 273 | P | 55.6 | Low | 64.1 | Low | 28 Ų | 28 | 55.6 Ų | 55.6 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.7 | -171.6 | 23.9 | -34.9 | 0 | 0 | 0 | 113 | T275 R276 Q325 R339 S342 | P273-T275 PolarHBondContact O-N 2.79Å; P273-R276 CarbonylContact O-C 3.46Å; P273-R276 VanDerWaalsContact O-C 3.26Å; P273-R276 WeakPolarHBondContact O-CA 3.43Å; P273-R276 PolarHBondContact O-N 2.95Å; P273-Q325 HydrophobicContact CB-CB 4.24Å; P273-Q325 HydrophobicContact CB-CG 3.9Å; P273-Q325 HydrophobicContact CG-CB 4.11Å; P273-Q325 HydrophobicContact CG-CG 4.04Å; P273-R339 WeakPolarHBondContact CA-O 3.46Å; P273-R339 WeakPolarHBondContact CD-O 3.44Å; P273-R339 VanDerWaalsContact N-O 3.09Å; P273-S342 PolarHBondContact O-N 2.86Å; P273-S342 PolarHBondContact O-OG 3.36Å |
| 274 | N | 59.3 | Low | 67.4 | Low | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.2 | -12.3 | 177.3 | -65.9 | -10.2 | 0 | 0 | 0 | 113.8 | G272 R276 S342 T581 S582 G584 | G272-N274 PolarHBondContact O-N 3.03Å; N274-R276 VanDerWaalsContact C-N 3.31Å; N274-S342 PolarHBondContact OD1-OG 2.77Å; N274-T581 CarbonylContact O-C 3.48Å; N274-S582 WeakPolarHBondContact O-CA 3.32Å; N274-S582 WeakPolarHBondContact O-CB 3.05Å; N274-S582 PolarHBondContact O-N 2.99Å; N274-G584 PolarHBondContact ND2-O 3.3Å |
| 275 | T | 69.4 | Low | 70.5 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -86.4 | -0.4 | 166.6 | 62.5 | 0 | 0 | 0 | 0 | 114 | G271 G272 P273 | G271-T275 VanDerWaalsContact C-OG1 3.25Å; G271-T275 PolarHBondContact O-OG1 2.88Å; G272-T275 PolarHBondContact O-N 2.93Å; G272-T275 PolarHBondContact O-OG1 2.02Å; P273-T275 PolarHBondContact O-N 2.79Å |
| 276 | R | 85.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -134.9 | 67.4 | -179.9 | -70.7 | 172.5 | -69.1 | -75 | 1.7 | 109.6 | G271 G272 P273 N274 R339 G340 V341 S342 L572 F579 | G271-R276 VanDerWaalsContact O-CZ 3.29Å; G271-R276 PolarHBondContact O-NH1 3.18Å; G271-R276 PolarHBondContact O-NH2 2.88Å; G272-R276 PolarHBondContact O-NH2 2.79Å; P273-R276 CarbonylContact O-C 3.46Å; P273-R276 VanDerWaalsContact O-C 3.26Å; P273-R276 WeakPolarHBondContact O-CA 3.43Å; P273-R276 PolarHBondContact O-N 2.95Å; N274-R276 VanDerWaalsContact C-N 3.31Å; R276-R339 PolarHBondContact NH2-O 2.89Å; R276-G340 PolarHBondContact NE-O 2.94Å; R276-V341 HydrophobicContact CB-CG2 4.3Å; R276-V341 WeakPolarHBondContact O-CG1 3.21Å; R276-S342 PolarHBondContact O-N 3.38Å; R276-L572 HydrophobicContact CG-CD1 4.28Å; R276-L572 HydrophobicContact CG-CD2 4.3Å; R276-F579 HydrophobicContact CB-CD1 4.13Å |
| 277 | V | 88.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.3 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | S342 R344 L580 | V277-S342 CarbonylContact C-O 3.52Å; V277-S342 WeakPolarHBondContact CA-O 3.48Å; V277-R344 HydrophobicContact CG1-CB 3.89Å; V277-L580 HydrophobicContact CB-CB 4.23Å; V277-L580 WeakPolarHBondContact CB-O 3.43Å; V277-L580 PolarHBondContact N-O 3.13Å; V277-L580 PolarHBondContact O-N 3.12Å |
| 278 | C | 93.9 | Very high | 79 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.6 | 171.9 | 180 | 0 | 0 | 0 | 0 | 109.4 | V341 S342 F343 R344 C435 F513 F579 | C278-V341 HydrophobicContact CB-CG1 4.4Å; C278-S342 PolarHBondContact N-O 3Å; C278-F343 HydrophobicContact CB-CD1 3.73Å; C278-F343 HydrophobicContact CB-CE1 3.82Å; C278-F343 WeakPolarHBondContact O-CA 3.32Å; C278-R344 PolarHBondContact O-N 3.4Å; C278-C435 VanDerWaalsContact CA-SG 3.57Å; C278-C435 HydrophobicContact CB-CB 3.86Å; C278-C435 WeakPolarHBondContact CB-SG 3.3Å; C278-C435 WeakPolarHBondContact SG-CB 3.09Å; C278-C435 CovalentContact SG-SG 2.04Å; C278-C435 PolarHBondContact SG-SG 2.87Å; C278-F513 HydrophobicContact CB-CZ 4.31Å; C278-F579 HydrophobicContact CB-CD1 4.26Å; C278-F579 HydrophobicContact CB-CE1 3.89Å |
| 279 | N | 93.1 | Very high | 81.3 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 140.5 | 179.2 | 73.6 | -31.6 | 0 | 0 | 0 | 112.7 | R344 D346 D433 F434 C435 L436 L580 | N279-R344 CarbonylContact C-O 3.42Å; N279-R344 WeakPolarHBondContact CA-O 3.23Å; N279-D346 HydrophobicContact CB-CB 4.37Å; N279-D346 WeakPolarHBondContact CB-OD2 3.17Å; N279-D346 PolarHBondContact ND2-OD2 3.17Å; N279-D433 PolarHBondContact ND2-O 3.42Å; N279-F434 WeakPolarHBondContact OD1-CA 3.4Å; N279-C435 WeakPolarHBondContact O-CB 3.44Å; N279-C435 PolarHBondContact O-N 2.83Å; N279-C435 VanDerWaalsContact O-N 3.08Å; N279-C435 PolarHBondContact OD1-N 3.48Å; N279-L436 PolarHBondContact O-N 3.32Å; N279-L580 HydrophobicContact CB-CD1 4.17Å |
| 280 | L | 96 | Very high | 83.6 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.9 | -167.5 | -57.9 | 179.3 | 0 | 0 | 0 | 112.4 | L282 V317 F343 R344 D346 R347 L436 F505 | L280-L282 HydrophobicContact CB-CD2 4.28Å; L280-L282 HydrophobicContact CB-CG 4.34Å; L280-V317 HydrophobicContact CD1-CG1 4.27Å; L280-V317 HydrophobicContact CD1-CG2 3.74Å; L280-F343 HydrophobicContact CD1-CB 4.1Å; L280-F343 HydrophobicContact CD1-CD1 4.18Å; L280-F343 HydrophobicContact CD1-CG 4.38Å; L280-F343 HydrophobicContact CD2-CD1 4.14Å; L280-F343 HydrophobicContact CG-CD1 4.35Å; L280-R344 PolarHBondContact N-O 3.22Å; L280-D346 PolarHBondContact O-N 3.25Å; L280-R347 PolarHBondContact O-N 2.83Å; L280-L436 WeakPolarHBondContact CA-O 2.93Å; L280-L436 HydrophobicContact CD2-CB 3.91Å; L280-F505 HydrophobicContact CD1-CZ 4.37Å |
| 281 | Y | 95.9 | Very high | 85.5 | Confident | 21 Ų | 21 | 18.9 Ų | 18.9 | 8% | 0.082 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.8 | 157.8 | 173 | -81.5 | 0 | 0 | 0 | 108.7 | Q283 R347 L349 Y431 F434 L436 A437 Y438 | Y281-Q283 HydrophobicContact CE1-CB 3.81Å; Y281-Q283 PolarHBondContact OH-OE1 3.3Å; Y281-R347 WeakPolarHBondContact CA-O 3.38Å; Y281-R347 HydrophobicContact CD2-CB 3.93Å; Y281-R347 HydrophobicContact CD2-CG 3.97Å; Y281-R347 HydrophobicContact CE2-CG 4.15Å; Y281-L349 VanDerWaalsContact OH-CD2 3.29Å; Y281-L349 WeakPolarHBondContact OH-CD2 3.3Å; Y281-Y431 HydrophobicContact CD1-CD1 4.24Å; Y281-Y431 AromaticContact CD1-CE1 3.64Å; Y281-Y431 HydrophobicContact CD1-CE1 3.64Å; Y281-Y431 HydrophobicContact CD2-CD1 4.37Å; Y281-Y431 HydrophobicContact CD2-CE1 4.09Å; Y281-Y431 AromaticContact CE1-CE1 3.53Å; Y281-Y431 HydrophobicContact CE1-CE1 3.53Å; Y281-Y431 AromaticContact CE1-CZ 3.87Å; Y281-Y431 HydrophobicContact CE2-CE1 4.01Å; Y281-Y431 HydrophobicContact CG-CD1 4.17Å; Y281-Y431 AromaticContact CG-CE1 3.93Å; Y281-Y431 HydrophobicContact CG-CE1 3.93Å; Y281-Y431 AromaticContact CZ-CE1 3.74Å; Y281-F434 HydrophobicContact CD2-CD2 4.48Å; Y281-F434 AromaticContact CD2-CE2 3.9Å; Y281-F434 HydrophobicContact CD2-CE2 3.9Å; Y281-F434 HydrophobicContact CD2-CZ 4.01Å; Y281-F434 HydrophobicContact CG-CE2 4.35Å; Y281-L436 PolarHBondContact N-O 3.48Å; Y281-A437 HydrophobicContact CD1-CB 3.86Å; Y281-A437 HydrophobicContact CG-CB 4.22Å; Y281-A437 CarbonylContact O-C 3.54Å; Y281-A437 WeakPolarHBondContact O-CA 3.35Å; Y281-Y438 PolarHBondContact O-N 3.02Å |
| 282 | L | 97.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.5 | 179.8 | -58.2 | -179.9 | 0 | 0 | 0 | 111.1 | L280 F313 V317 V345 R347 V348 L349 Y438 F440 | L280-L282 HydrophobicContact CB-CD2 4.28Å; L280-L282 HydrophobicContact CB-CG 4.34Å; L282-F313 HydrophobicContact CB-CD2 3.85Å; L282-F313 HydrophobicContact CB-CE2 4.02Å; L282-F313 HydrophobicContact CB-CG 4.29Å; L282-F313 HydrophobicContact CD1-CB 3.75Å; L282-F313 HydrophobicContact CD1-CD2 4.23Å; L282-F313 HydrophobicContact CD1-CG 4.03Å; L282-V317 HydrophobicContact CD1-CG2 3.94Å; L282-V345 HydrophobicContact CD1-CG1 4.1Å; L282-V345 HydrophobicContact CD1-CG2 3.71Å; L282-V345 HydrophobicContact CG-CG1 4.43Å; L282-R347 PolarHBondContact N-O 2.91Å; L282-V348 HydrophobicContact CB-CG2 4.38Å; L282-V348 CarbonylContact O-C 3.21Å; L282-V348 VanDerWaalsContact O-CA 3.25Å; L282-V348 WeakPolarHBondContact O-CA 3.49Å; L282-L349 PolarHBondContact O-N 2.76Å; L282-Y438 CarbonylContact C-O 3.36Å; L282-Y438 WeakPolarHBondContact CA-O 3.36Å; L282-F440 HydrophobicContact CD2-CE2 4.33Å |
| 283 | Q | 96.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.7 | -178.4 | -179.3 | 171 | -15.8 | 0 | 0 | 111.9 | Y281 L349 N351 Y438 I439 F440 | Y281-Q283 HydrophobicContact CE1-CB 3.81Å; Y281-Q283 PolarHBondContact OH-OE1 3.3Å; Q283-L349 CarbonylContact C-O 3.56Å; Q283-L349 WeakPolarHBondContact CA-O 3.14Å; Q283-L349 HydrophobicContact CB-CB 4.37Å; Q283-L349 HydrophobicContact CG-CB 4.15Å; Q283-L349 HydrophobicContact CG-CD2 4.11Å; Q283-L349 HydrophobicContact CG-CG 4.13Å; Q283-N351 PolarHBondContact NE2-OD1 3.41Å; Q283-Y438 PolarHBondContact N-O 2.97Å; Q283-I439 HydrophobicContact CB-CB 4.2Å; Q283-I439 HydrophobicContact CB-CG1 4.15Å; Q283-I439 HydrophobicContact CG-CD1 4.01Å; Q283-I439 HydrophobicContact CG-CG1 4.05Å; Q283-I439 CarbonylContact O-C 3.4Å; Q283-I439 WeakPolarHBondContact O-CA 3.36Å; Q283-F440 PolarHBondContact O-N 2.78Å |
| 284 | S | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.6 | 163.4 | 66 | 0 | 0 | 0 | 0 | 110.1 | L349 I350 N351 F440 | S284-L349 PolarHBondContact N-O 3.38Å; S284-I350 WeakPolarHBondContact OG-CA 3.04Å; S284-N351 WeakPolarHBondContact O-CB 2.95Å; S284-N351 PolarHBondContact O-N 3.06Å; S284-N351 PolarHBondContact O-OD1 2.91Å; S284-F440 WeakPolarHBondContact CA-O 3.38Å |
| 285 | D | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -80.4 | 176 | 169.2 | 89 | -33.1 | 0 | 0 | 0 | 112.9 | Y287 L288 W289 Y422 I439 F440 T441 R443 | D285-Y287 VanDerWaalsContact C-N 3.27Å; D285-Y287 PolarHBondContact O-N 3.08Å; D285-Y287 PolarHBondContact OD1-N 2.75Å; D285-Y287 WeakPolarHBondContact OD2-CD2 3.15Å; D285-L288 PolarHBondContact O-N 3.03Å; D285-L288 PolarHBondContact OD1-N 3.01Å; D285-W289 PolarHBondContact O-N 2.51Å; D285-W289 VanDerWaalsContact O-N 3.08Å; D285-Y422 WeakPolarHBondContact CB-OH 3.44Å; D285-Y422 VanDerWaalsContact CG-OH 3.29Å; D285-Y422 PolarHBondContact OD2-OH 3.44Å; D285-I439 HydrophobicContact CB-CD1 4.32Å; D285-F440 PolarHBondContact N-O 3.34Å; D285-F440 VanDerWaalsContact N-O 3.15Å; D285-T441 WeakPolarHBondContact OD1-CA 3.39Å; D285-T441 VanDerWaalsContact OD1-CB 3.31Å; D285-T441 WeakPolarHBondContact OD1-CB 3.27Å; D285-T441 PolarHBondContact OD1-OG1 3.43Å; D285-T441 PolarHBondContact OD2-OG1 3.45Å; D285-R443 IonicContact OD2-CZ 3.83Å; D285-R443 IonicContact OD2-NE 3.57Å; D285-R443 PolarHBondContact OD2-NE 3.49Å; D285-R443 IonicContact OD2-NH2 3.81Å | ||
| 286 | T | 94.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -22.4 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | W289 D290 N351 T353 C357 | T286-W289 PolarHBondContact O-N 2.63Å; T286-D290 WeakPolarHBondContact O-CB 3.33Å; T286-D290 VanDerWaalsContact O-CG 3.31Å; T286-D290 PolarHBondContact O-N 2.86Å; T286-N351 HydrophobicContact CG2-CB 3.84Å; T286-T353 WeakPolarHBondContact CB-OG1 3.46Å; T286-C357 VanDerWaalsContact CG2-SG 3.57Å |
| 287 | Y | 94.3 | Very high | 92.5 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 31% | 0.314 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -72.8 | -37.8 | 174.8 | -74.3 | -107.2 | 0 | 0 | 0 | 111.2 | D285 H291 P415 R443 | D285-Y287 VanDerWaalsContact C-N 3.27Å; D285-Y287 PolarHBondContact O-N 3.08Å; D285-Y287 PolarHBondContact OD1-N 2.75Å; D285-Y287 WeakPolarHBondContact OD2-CD2 3.15Å; Y287-H291 WeakPolarHBondContact O-CB 3.12Å; Y287-H291 PolarHBondContact O-N 2.91Å; Y287-P415 WeakPolarHBondContact OH-CA 3.43Å; Y287-P415 WeakPolarHBondContact OH-CB 3.39Å; Y287-R443 HydrophobicContact CD1-CG 4.3Å; Y287-R443 HydrophobicContact CG-CG 4.09Å |
| 288 | L | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -38.7 | 170.7 | -177.4 | 53.7 | 0 | 0 | 0 | 112.1 | D285 H291 V292 I312 F440 Y442 L489 | D285-L288 PolarHBondContact O-N 3.03Å; D285-L288 PolarHBondContact OD1-N 3.01Å; L288-H291 PolarHBondContact O-N 2.87Å; L288-V292 HydrophobicContact CD1-CG2 4.19Å; L288-V292 WeakPolarHBondContact O-CG2 3.48Å; L288-V292 PolarHBondContact O-N 2.91Å; L288-V292 VanDerWaalsContact O-N 3.09Å; L288-I312 HydrophobicContact CD1-CD1 4.48Å; L288-F440 HydrophobicContact CD2-CB 3.79Å; L288-Y442 HydrophobicContact CD1-CD2 4.5Å; L288-L489 HydrophobicContact CD1-CD1 3.99Å; L288-L489 HydrophobicContact CD2-CD1 4.48Å |
| 289 | W | 95.6 | Very high | 92 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -53.4 | 171.3 | 173.9 | -92.5 | 0 | 0 | 0 | 112.1 | D285 T286 H291 V292 I293 R302 A305 V306 I309 I350 N351 V352 | D285-W289 PolarHBondContact O-N 2.51Å; D285-W289 VanDerWaalsContact O-N 3.08Å; T286-W289 PolarHBondContact O-N 2.63Å; W289-H291 PolarHBondContact O-N 2.81Å; W289-V292 PolarHBondContact O-N 2.78Å; W289-I293 HydrophobicContact CH2-CD1 4.06Å; W289-I293 HydrophobicContact CZ2-CB 4.34Å; W289-I293 HydrophobicContact CZ2-CD1 3.68Å; W289-I293 HydrophobicContact CZ2-CG1 3.92Å; W289-I293 WeakPolarHBondContact O-CB 3.43Å; W289-I293 VanDerWaalsContact O-CG2 3.28Å; W289-I293 WeakPolarHBondContact O-CG2 3.37Å; W289-I293 PolarHBondContact O-N 2.85Å; W289-R302 HydrophobicContact CH2-CB 4.25Å; W289-R302 HydrophobicContact CH2-CG 4.48Å; W289-R302 HydrophobicContact CZ2-CG 4.49Å; W289-A305 HydrophobicContact CE3-CB 4.5Å; W289-A305 HydrophobicContact CH2-CB 3.94Å; W289-A305 HydrophobicContact CZ3-CB 3.86Å; W289-V306 HydrophobicContact CZ3-CG2 4.12Å; W289-I309 HydrophobicContact CE3-CD1 3.79Å; W289-I309 HydrophobicContact CZ3-CD1 4.45Å; W289-I350 HydrophobicContact CE3-CG2 3.56Å; W289-I350 HydrophobicContact CZ3-CG2 3.95Å; W289-N351 VanDerWaalsContact CB-O 3.27Å; W289-N351 WeakPolarHBondContact CB-O 3.3Å; W289-V352 HydrophobicContact CD2-CB 4.48Å; W289-V352 HydrophobicContact CD2-CG1 4.43Å; W289-V352 HydrophobicContact CD2-CG2 3.94Å; W289-V352 HydrophobicContact CE3-CG2 3.98Å; W289-V352 HydrophobicContact CH2-CG2 4.2Å; W289-V352 HydrophobicContact CZ2-CG1 4.03Å; W289-V352 HydrophobicContact CZ2-CG2 4.16Å; W289-V352 HydrophobicContact CZ3-CG2 4.11Å |
| 290 | D | 94.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -32.1 | -179.8 | -75.8 | -10 | 0 | 0 | 0 | 111.9 | T286 N294 T353 | T286-D290 WeakPolarHBondContact O-CB 3.33Å; T286-D290 VanDerWaalsContact O-CG 3.31Å; T286-D290 PolarHBondContact O-N 2.86Å; D290-N294 WeakPolarHBondContact O-CB 3.46Å; D290-N294 PolarHBondContact O-ND2 2.96Å; D290-T353 WeakPolarHBondContact OD1-CB 3.22Å; D290-T353 PolarHBondContact OD1-OG1 3.18Å; D290-T353 PolarHBondContact OD2-OG1 3.04Å |
| 291 | H | 92.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 173.4 | -173.5 | 75.8 | 0 | 0 | 0 | 113.2 | Y287 L288 W289 K295 Y442 | Y287-H291 WeakPolarHBondContact O-CB 3.12Å; Y287-H291 PolarHBondContact O-N 2.91Å; L288-H291 PolarHBondContact O-N 2.87Å; W289-H291 PolarHBondContact O-N 2.81Å; H291-K295 PolarHBondContact CE1-NZ 2.85Å; H291-K295 WeakPolarHBondContact NE2-CE 3.18Å; H291-K295 PolarHBondContact NE2-NZ 3.26Å; H291-Y442 HydrophobicContact CB-CD1 3.97Å; H291-Y442 HydrophobicContact CB-CD2 4.16Å; H291-Y442 HydrophobicContact CB-CG 3.77Å; H291-Y442 AromaticContact CD2-CD2 3.67Å; H291-Y442 AromaticContact CD2-CE2 3.58Å; H291-Y442 AromaticContact CD2-CZ 3.97Å; H291-Y442 AromaticContact CE1-CE1 3.44Å; H291-Y442 VanDerWaalsContact CE1-CE1 3.44Å; H291-Y442 WeakPolarHBondContact CE1-CE1 3.43Å; H291-Y442 AromaticContact CE1-CE2 3.56Å; H291-Y442 AromaticContact CE1-CZ 3.14Å; H291-Y442 PolarHBondContact CE1-OH 3.2Å; H291-Y442 VanDerWaalsContact CE1-OH 3.28Å; H291-Y442 AromaticContact CG-CD1 3.7Å; H291-Y442 AromaticContact CG-CD2 3.67Å; H291-Y442 AromaticContact CG-CE1 3.84Å; H291-Y442 AromaticContact CG-CE2 3.8Å; H291-Y442 AromaticContact CG-CG 3.64Å; H291-Y442 AromaticContact CG-CZ 3.9Å; H291-Y442 AromaticContact ND1-CD1 3.48Å; H291-Y442 WeakPolarHBondContact ND1-CD1 3.38Å; H291-Y442 AromaticContact ND1-CE1 3.21Å; H291-Y442 WeakPolarHBondContact ND1-CE1 3.23Å; H291-Y442 AromaticContact ND1-CE2 3.8Å; H291-Y442 AromaticContact ND1-CG 3.9Å; H291-Y442 AromaticContact ND1-CZ 3.4Å; H291-Y442 AromaticContact NE2-CE2 3.45Å; H291-Y442 WeakPolarHBondContact NE2-CE2 3.34Å; H291-Y442 AromaticContact NE2-CZ 3.53Å |
| 292 | V | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -81.9 | -50.1 | -176.9 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | L288 W289 N294 K295 I298 A305 E308 I309 I312 | L288-V292 HydrophobicContact CD1-CG2 4.19Å; L288-V292 WeakPolarHBondContact O-CG2 3.48Å; L288-V292 PolarHBondContact O-N 2.91Å; L288-V292 VanDerWaalsContact O-N 3.09Å; W289-V292 PolarHBondContact O-N 2.78Å; V292-N294 PolarHBondContact O-N 2.88Å; V292-N294 VanDerWaalsContact O-N 3.12Å; V292-K295 WeakPolarHBondContact O-CB 3.42Å; V292-K295 WeakPolarHBondContact O-CG 3.22Å; V292-K295 PolarHBondContact O-N 3.01Å; V292-I298 WeakPolarHBondContact O-CG1 3.41Å; V292-A305 HydrophobicContact CG1-CB 3.92Å; V292-E308 HydrophobicContact CG1-CB 3.78Å; V292-E308 HydrophobicContact CG1-CG 3.85Å; V292-E308 HydrophobicContact CG2-CG 4.38Å; V292-I309 HydrophobicContact CB-CD1 4.42Å; V292-I309 HydrophobicContact CB-CG1 4.27Å; V292-I309 HydrophobicContact CG1-CD1 4.5Å; V292-I309 HydrophobicContact CG1-CG1 4.19Å; V292-I309 HydrophobicContact CG2-CG1 4.01Å; V292-I312 HydrophobicContact CG2-CD1 4.4Å |
| 293 | I | 94.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -30 | -174.4 | -164.1 | 60.5 | 0 | 0 | 0 | 112.4 | W289 I298 G300 A305 | W289-I293 HydrophobicContact CH2-CD1 4.06Å; W289-I293 HydrophobicContact CZ2-CB 4.34Å; W289-I293 HydrophobicContact CZ2-CD1 3.68Å; W289-I293 HydrophobicContact CZ2-CG1 3.92Å; W289-I293 WeakPolarHBondContact O-CB 3.43Å; W289-I293 VanDerWaalsContact O-CG2 3.28Å; W289-I293 WeakPolarHBondContact O-CG2 3.37Å; W289-I293 PolarHBondContact O-N 2.85Å; I293-I298 HydrophobicContact CD1-CG2 4.4Å; I293-G300 PolarHBondContact O-N 2.85Å; I293-A305 HydrophobicContact CB-CB 4.47Å; I293-A305 HydrophobicContact CD1-CB 3.56Å |
| 294 | N | 90.9 | Very high | 90.9 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 69% | 0.69 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 5.2 | 179.7 | -68.2 | -63.8 | 0 | 0 | 0 | 114.5 | D290 V292 | D290-N294 WeakPolarHBondContact O-CB 3.46Å; D290-N294 PolarHBondContact O-ND2 2.96Å; V292-N294 PolarHBondContact O-N 2.88Å; V292-N294 VanDerWaalsContact O-N 3.12Å |
| 295 | K | 85.7 | Confident | 90.7 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 12% | 0.122 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -67.3 | 143.8 | 172.6 | -68.5 | -68.7 | -178.5 | -179.8 | 0 | 111 | Y158 H291 V292 H297 I298 Q299 | Y158-K295 HydrophobicContact CD1-CD 4.2Å; H291-K295 PolarHBondContact CE1-NZ 2.85Å; H291-K295 WeakPolarHBondContact NE2-CE 3.18Å; H291-K295 PolarHBondContact NE2-NZ 3.26Å; V292-K295 WeakPolarHBondContact O-CB 3.42Å; V292-K295 WeakPolarHBondContact O-CG 3.22Å; V292-K295 PolarHBondContact O-N 3.01Å; K295-H297 VanDerWaalsContact C-N 3.26Å; K295-H297 PolarHBondContact O-N 3.27Å; K295-I298 HydrophobicContact CB-CB 4.11Å; K295-I298 HydrophobicContact CB-CG1 3.67Å; K295-I298 HydrophobicContact CG-CG1 4.41Å; K295-I298 WeakPolarHBondContact O-CA 3.5Å; K295-I298 PolarHBondContact O-N 2.88Å; K295-Q299 PolarHBondContact O-N 2.82Å |
| 296 | R | 80.8 | Confident | 90.7 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.9 | -178 | -75.1 | -167.3 | 178.7 | -160.4 | 4.7 | 115.6 | N161 D163 Q299 | N161-R296 VanDerWaalsContact O-CZ 3.31Å; N161-R296 PolarHBondContact O-NH1 3.13Å; N161-R296 PolarHBondContact O-NH2 3.32Å; D163-R296 IonicContact OD1-NH1 2.88Å; D163-R296 PolarHBondContact OD1-NH1 2.9Å; D163-R296 IonicContact OD2-NH1 3.42Å; R296-Q299 WeakPolarHBondContact O-CG 3.46Å; R296-Q299 PolarHBondContact O-NE2 2.72Å |
| 297 | H | 78.9 | Confident | 90.6 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 22% | 0.218 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2 | 174.4 | 67.1 | -90.4 | 0 | 0 | 0 | 113.2 | R130 Y158 K295 L304 E308 | R130-H297 PolarHBondContact NH1-NE2 2.82Å; Y158-H297 AromaticContact CD1-CE1 2.67Å; Y158-H297 WeakPolarHBondContact CD1-CE1 3.34Å; Y158-H297 AromaticContact CE1-CE1 2.76Å; Y158-H297 WeakPolarHBondContact CE1-CE1 3.37Å; Y158-H297 AromaticContact CE1-NE2 3.75Å; Y158-H297 AromaticContact CG-CE1 3.85Å; Y158-H297 AromaticContact CZ-CE1 3.98Å; K295-H297 VanDerWaalsContact C-N 3.26Å; K295-H297 PolarHBondContact O-N 3.27Å; H297-L304 WeakPolarHBondContact O-CD2 3.28Å; H297-E308 IonicContact CD2-OE1 3.8Å; H297-E308 IonicContact CE1-OE1 3.98Å; H297-E308 CovalentContact NE2-OE1 1.81Å; H297-E308 IonicContact NE2-OE1 2.74Å; H297-E308 PolarHBondContact NE2-OE1 2.71Å; H297-E308 IonicContact NE2-OE2 3.57Å |
| 298 | I | 86.2 | Confident | 90.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -38.6 | 175.3 | -55 | -63.9 | 0 | 0 | 0 | 110.3 | V292 I293 K295 G300 N301 L304 A305 E308 | V292-I298 WeakPolarHBondContact O-CG1 3.41Å; I293-I298 HydrophobicContact CD1-CG2 4.4Å; K295-I298 HydrophobicContact CB-CB 4.11Å; K295-I298 HydrophobicContact CB-CG1 3.67Å; K295-I298 HydrophobicContact CG-CG1 4.41Å; K295-I298 WeakPolarHBondContact O-CA 3.5Å; K295-I298 PolarHBondContact O-N 2.88Å; I298-G300 PolarHBondContact O-N 3.21Å; I298-G300 VanDerWaalsContact O-N 3.14Å; I298-N301 WeakPolarHBondContact O-CB 3.48Å; I298-N301 PolarHBondContact O-N 3.25Å; I298-L304 HydrophobicContact CD1-CB 4.41Å; I298-L304 HydrophobicContact CD1-CD2 4.19Å; I298-L304 HydrophobicContact CD1-CG 3.69Å; I298-A305 HydrophobicContact CG2-CB 3.87Å; I298-E308 HydrophobicContact CD1-CB 4.24Å |
| 299 | Q | 85.3 | Confident | 90.5 | Very high | 169 Ų | 169 | 45.6 Ų | 45.6 | 79% | 0.79 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 33 | 171.3 | -52.9 | -171.3 | 0.5 | 0 | 0 | 114.9 | K295 R296 N301 | K295-Q299 PolarHBondContact O-N 2.82Å; R296-Q299 WeakPolarHBondContact O-CG 3.46Å; R296-Q299 PolarHBondContact O-NE2 2.72Å; Q299-N301 PolarHBondContact O-N 3.31Å |
| 300 | G | 89.6 | Confident | 90.4 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 2.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I293 I298 R302 | I293-G300 PolarHBondContact O-N 2.85Å; I298-G300 PolarHBondContact O-N 3.21Å; I298-G300 VanDerWaalsContact O-N 3.14Å; G300-R302 PolarHBondContact O-N 2.99Å; G300-R302 VanDerWaalsContact O-N 3.14Å |
| 301 | N | 92.8 | Very high | 90.3 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | trans | -67.5 | 111.5 | 173.8 | -178.5 | -13.7 | 0 | 0 | 0 | 110.1 | I298 Q299 E303 L304 A305 | I298-N301 WeakPolarHBondContact O-CB 3.48Å; I298-N301 PolarHBondContact O-N 3.25Å; Q299-N301 PolarHBondContact O-N 3.31Å; N301-E303 PolarHBondContact OD1-N 3.23Å; N301-E303 VanDerWaalsContact OD1-N 3.11Å; N301-L304 HydrophobicContact CB-CB 3.84Å; N301-L304 HydrophobicContact CB-CD2 4.46Å; N301-L304 PolarHBondContact O-N 3.28Å; N301-L304 PolarHBondContact OD1-N 3.38Å; N301-A305 WeakPolarHBondContact O-CB 3.41Å; N301-A305 PolarHBondContact O-N 2.92Å | ||
| 302 | R | 92.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 41 Ų | 41 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.9 | -39.3 | -175.2 | -58.8 | 177 | 66.5 | 87.5 | -13.1 | 113.5 | W289 G300 L304 A305 V306 E354 H355 | W289-R302 HydrophobicContact CH2-CB 4.25Å; W289-R302 HydrophobicContact CH2-CG 4.48Å; W289-R302 HydrophobicContact CZ2-CG 4.49Å; G300-R302 PolarHBondContact O-N 2.99Å; G300-R302 VanDerWaalsContact O-N 3.14Å; R302-L304 VanDerWaalsContact C-N 3.3Å; R302-A305 PolarHBondContact O-N 3.45Å; R302-V306 VanDerWaalsContact O-CG2 3.32Å; R302-V306 WeakPolarHBondContact O-CG2 3.28Å; R302-V306 PolarHBondContact O-N 2.73Å; R302-E354 IonicContact CZ-OE1 3.19Å; R302-E354 IonicContact NH1-OE1 2.84Å; R302-E354 PolarHBondContact NH1-OE1 3.23Å; R302-E354 IonicContact NH1-OE2 2.69Å; R302-E354 IonicContact NH2-OE1 3.71Å; R302-H355 PolarHBondContact NH2-NE2 2.03Å |
| 303 | E | 90.8 | Very high | 90.4 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.9 | -171.8 | -171 | 138.2 | 0 | 0 | 109.9 | W96 N301 V306 K307 | W96-E303 HydrophobicContact CZ2-CG 4.28Å; N301-E303 PolarHBondContact OD1-N 3.23Å; N301-E303 VanDerWaalsContact OD1-N 3.11Å; E303-V306 PolarHBondContact O-N 2.77Å; E303-K307 HydrophobicContact CG-CD 4.47Å; E303-K307 WeakPolarHBondContact O-CG 3.45Å; E303-K307 PolarHBondContact O-N 2.7Å; E303-K307 WeakPolarHBondContact OE1-CE 3.17Å; E303-K307 IonicContact OE1-NZ 2.62Å; E303-K307 PolarHBondContact OE1-NZ 3.11Å |
| 304 | L | 90.7 | Very high | 90.4 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 179.1 | -164.7 | 54.5 | 0 | 0 | 0 | 112.2 | I125 D126 H297 I298 N301 R302 K307 E308 | I125-L304 HydrophobicContact CG2-CD1 3.22Å; D126-L304 VanDerWaalsContact OD2-CD1 3.25Å; D126-L304 WeakPolarHBondContact OD2-CD1 3.38Å; H297-L304 WeakPolarHBondContact O-CD2 3.28Å; I298-L304 HydrophobicContact CD1-CB 4.41Å; I298-L304 HydrophobicContact CD1-CD2 4.19Å; I298-L304 HydrophobicContact CD1-CG 3.69Å; N301-L304 HydrophobicContact CB-CB 3.84Å; N301-L304 HydrophobicContact CB-CD2 4.46Å; N301-L304 PolarHBondContact O-N 3.28Å; N301-L304 PolarHBondContact OD1-N 3.38Å; R302-L304 VanDerWaalsContact C-N 3.3Å; L304-K307 PolarHBondContact O-N 2.97Å; L304-E308 WeakPolarHBondContact O-CB 3.26Å; L304-E308 PolarHBondContact O-N 3.32Å |
| 305 | A | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | W289 V292 I293 I298 N301 R302 E308 I309 | W289-A305 HydrophobicContact CE3-CB 4.5Å; W289-A305 HydrophobicContact CH2-CB 3.94Å; W289-A305 HydrophobicContact CZ3-CB 3.86Å; V292-A305 HydrophobicContact CG1-CB 3.92Å; I293-A305 HydrophobicContact CB-CB 4.47Å; I293-A305 HydrophobicContact CD1-CB 3.56Å; I298-A305 HydrophobicContact CG2-CB 3.87Å; N301-A305 WeakPolarHBondContact O-CB 3.41Å; N301-A305 PolarHBondContact O-N 2.92Å; R302-A305 PolarHBondContact O-N 3.45Å; A305-E308 PolarHBondContact O-N 3.47Å; A305-I309 WeakPolarHBondContact O-CG1 3.26Å; A305-I309 PolarHBondContact O-N 3.02Å |
| 306 | V | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 173.6 | 164.9 | 0 | 0 | 0 | 0 | 110.4 | L89 V91 W96 V103 W289 R302 E303 E308 I309 T310 I350 | L89-V306 HydrophobicContact CD2-CG1 3.92Å; V91-V306 HydrophobicContact CG1-CG2 3.89Å; V91-V306 HydrophobicContact CG2-CG1 4.45Å; V91-V306 HydrophobicContact CG2-CG2 3.89Å; W96-V306 HydrophobicContact CH2-CG2 4.42Å; W96-V306 HydrophobicContact CZ3-CG2 4.08Å; V103-V306 HydrophobicContact CG1-CG1 4.48Å; V103-V306 HydrophobicContact CG2-CG1 4.39Å; W289-V306 HydrophobicContact CZ3-CG2 4.12Å; R302-V306 VanDerWaalsContact O-CG2 3.32Å; R302-V306 WeakPolarHBondContact O-CG2 3.28Å; R302-V306 PolarHBondContact O-N 2.73Å; E303-V306 PolarHBondContact O-N 2.77Å; V306-E308 VanDerWaalsContact C-N 3.33Å; V306-E308 PolarHBondContact O-N 3.32Å; V306-I309 PolarHBondContact O-N 3.2Å; V306-T310 PolarHBondContact O-N 3Å; V306-T310 PolarHBondContact O-OG1 2.93Å; V306-I350 HydrophobicContact CB-CD1 4.3Å; V306-I350 HydrophobicContact CG1-CD1 4.07Å; V306-I350 HydrophobicContact CG2-CD1 4.15Å |
| 307 | K | 92.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 176.2 | -71.8 | 172.4 | 168.9 | 168.3 | 0 | 112.9 | H106 I125 E303 L304 T310 S311 | H106-K307 PolarHBondContact NE2-O 2.92Å; I125-K307 HydrophobicContact CD1-CB 4.11Å; I125-K307 WeakPolarHBondContact CD1-O 3.5Å; I125-K307 HydrophobicContact CG1-CB 4.42Å; I125-K307 HydrophobicContact CG2-CB 4.43Å; E303-K307 HydrophobicContact CG-CD 4.47Å; E303-K307 WeakPolarHBondContact O-CG 3.45Å; E303-K307 PolarHBondContact O-N 2.7Å; E303-K307 WeakPolarHBondContact OE1-CE 3.17Å; E303-K307 IonicContact OE1-NZ 2.62Å; E303-K307 PolarHBondContact OE1-NZ 3.11Å; L304-K307 PolarHBondContact O-N 2.97Å; K307-T310 WeakPolarHBondContact CA-OG1 3.09Å; K307-T310 PolarHBondContact O-OG1 2.97Å; K307-T310 VanDerWaalsContact O-OG1 3.12Å; K307-S311 WeakPolarHBondContact O-CB 3.31Å; K307-S311 PolarHBondContact O-N 3.22Å |
| 308 | E | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 176.2 | -172.1 | 86 | 106.8 | 0 | 0 | 111.7 | R130 Y158 V292 H297 I298 L304 A305 V306 S311 I312 | R130-E308 IonicContact CZ-OE2 2.74Å; R130-E308 IonicContact NH1-OE1 3.12Å; R130-E308 PolarHBondContact NH1-OE1 2.78Å; R130-E308 IonicContact NH1-OE2 3.93Å; R130-E308 PolarHBondContact NH1-OE2 2.73Å; Y158-E308 WeakPolarHBondContact CE1-OE1 3.24Å; Y158-E308 PolarHBondContact OH-OE1 3.04Å; Y158-E308 PolarHBondContact OH-OE2 2.75Å; V292-E308 HydrophobicContact CG1-CB 3.78Å; V292-E308 HydrophobicContact CG1-CG 3.85Å; V292-E308 HydrophobicContact CG2-CG 4.38Å; H297-E308 IonicContact CD2-OE1 3.8Å; H297-E308 IonicContact CE1-OE1 3.98Å; H297-E308 CovalentContact NE2-OE1 1.81Å; H297-E308 IonicContact NE2-OE1 2.74Å; H297-E308 PolarHBondContact NE2-OE1 2.71Å; H297-E308 IonicContact NE2-OE2 3.57Å; I298-E308 HydrophobicContact CD1-CB 4.24Å; L304-E308 WeakPolarHBondContact O-CB 3.26Å; L304-E308 PolarHBondContact O-N 3.32Å; A305-E308 PolarHBondContact O-N 3.47Å; V306-E308 VanDerWaalsContact C-N 3.33Å; V306-E308 PolarHBondContact O-N 3.32Å; E308-S311 WeakPolarHBondContact O-CB 3.47Å; E308-S311 PolarHBondContact O-N 2.87Å; E308-I312 WeakPolarHBondContact O-CG1 3.02Å; E308-I312 PolarHBondContact O-N 2.63Å |
| 309 | I | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 179.1 | -66.6 | 167.6 | 0 | 0 | 0 | 111 | W289 V292 A305 V306 S311 I312 F313 I350 | W289-I309 HydrophobicContact CE3-CD1 3.79Å; W289-I309 HydrophobicContact CZ3-CD1 4.45Å; V292-I309 HydrophobicContact CB-CD1 4.42Å; V292-I309 HydrophobicContact CB-CG1 4.27Å; V292-I309 HydrophobicContact CG1-CD1 4.5Å; V292-I309 HydrophobicContact CG1-CG1 4.19Å; V292-I309 HydrophobicContact CG2-CG1 4.01Å; A305-I309 WeakPolarHBondContact O-CG1 3.26Å; A305-I309 PolarHBondContact O-N 3.02Å; V306-I309 PolarHBondContact O-N 3.2Å; I309-S311 VanDerWaalsContact C-N 3.33Å; I309-S311 PolarHBondContact O-N 3.49Å; I309-I312 WeakPolarHBondContact O-CB 3.43Å; I309-I312 PolarHBondContact O-N 2.83Å; I309-F313 HydrophobicContact CG2-CD2 4.45Å; I309-F313 HydrophobicContact CG2-CE1 4.13Å; I309-F313 HydrophobicContact CG2-CE2 3.88Å; I309-F313 HydrophobicContact CG2-CZ 3.7Å; I309-F313 WeakPolarHBondContact O-CG 3.42Å; I309-F313 PolarHBondContact O-N 3.37Å; I309-F313 VanDerWaalsContact O-N 3.09Å; I309-I350 HydrophobicContact CB-CD1 3.98Å; I309-I350 HydrophobicContact CD1-CG2 3.89Å; I309-I350 HydrophobicContact CG2-CD1 3.87Å; I309-I350 HydrophobicContact CG2-CG1 3.94Å |
| 310 | T | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 174.1 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | L100 V103 H106 V306 K307 F313 T314 V348 I350 | L100-T310 HydrophobicContact CD1-CG2 3.56Å; V103-T310 HydrophobicContact CG2-CG2 4.43Å; H106-T310 PolarHBondContact NE2-OG1 3.4Å; V306-T310 PolarHBondContact O-N 3Å; V306-T310 PolarHBondContact O-OG1 2.93Å; K307-T310 WeakPolarHBondContact CA-OG1 3.09Å; K307-T310 PolarHBondContact O-OG1 2.97Å; K307-T310 VanDerWaalsContact O-OG1 3.12Å; T310-F313 PolarHBondContact O-N 2.82Å; T310-T314 WeakPolarHBondContact O-CG2 3.4Å; T310-T314 PolarHBondContact O-N 2.68Å; T310-T314 PolarHBondContact O-OG1 3.25Å; T310-T314 VanDerWaalsContact O-OG1 3.11Å; T310-V348 HydrophobicContact CG2-CG1 4.37Å; T310-I350 HydrophobicContact CG2-CD1 4.38Å |
| 311 | S | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 171.4 | 160.8 | 0 | 0 | 0 | 0 | 113.1 | K307 E308 I309 F313 T314 Q315 | K307-S311 WeakPolarHBondContact O-CB 3.31Å; K307-S311 PolarHBondContact O-N 3.22Å; E308-S311 WeakPolarHBondContact O-CB 3.47Å; E308-S311 PolarHBondContact O-N 2.87Å; I309-S311 VanDerWaalsContact C-N 3.33Å; I309-S311 PolarHBondContact O-N 3.49Å; S311-F313 VanDerWaalsContact C-N 3.33Å; S311-T314 PolarHBondContact O-OG1 3.24Å; S311-Q315 WeakPolarHBondContact O-CB 3.33Å; S311-Q315 VanDerWaalsContact O-CG 3.26Å; S311-Q315 WeakPolarHBondContact O-CG 3.42Å; S311-Q315 PolarHBondContact O-N 3.18Å; S311-Q315 VanDerWaalsContact O-N 3.09Å; S311-Q315 PolarHBondContact O-NE2 3.18Å; S311-Q315 PolarHBondContact OG-NE2 2.74Å |
| 312 | I | 93.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 14.9 Ų | 14.9 | 10% | 0.103 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 171.9 | -71 | 167.7 | 0 | 0 | 0 | 109.5 | L288 V292 E308 I309 H316 L489 | L288-I312 HydrophobicContact CD1-CD1 4.48Å; V292-I312 HydrophobicContact CG2-CD1 4.4Å; E308-I312 WeakPolarHBondContact O-CG1 3.02Å; E308-I312 PolarHBondContact O-N 2.63Å; I309-I312 WeakPolarHBondContact O-CB 3.43Å; I309-I312 PolarHBondContact O-N 2.83Å; I312-H316 PolarHBondContact O-N 2.85Å; I312-H316 PolarHBondContact O-ND1 3.34Å; I312-L489 HydrophobicContact CD1-CD1 4.3Å; I312-L489 HydrophobicContact CG2-CD1 3.92Å |
| 313 | F | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.009 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | -179.4 | -68.6 | -7.3 | 0 | 0 | 0 | 112.9 | L282 I309 T310 S311 Q315 H316 V317 V348 F440 | L282-F313 HydrophobicContact CB-CD2 3.85Å; L282-F313 HydrophobicContact CB-CE2 4.02Å; L282-F313 HydrophobicContact CB-CG 4.29Å; L282-F313 HydrophobicContact CD1-CB 3.75Å; L282-F313 HydrophobicContact CD1-CD2 4.23Å; L282-F313 HydrophobicContact CD1-CG 4.03Å; I309-F313 HydrophobicContact CG2-CD2 4.45Å; I309-F313 HydrophobicContact CG2-CE1 4.13Å; I309-F313 HydrophobicContact CG2-CE2 3.88Å; I309-F313 HydrophobicContact CG2-CZ 3.7Å; I309-F313 WeakPolarHBondContact O-CG 3.42Å; I309-F313 PolarHBondContact O-N 3.37Å; I309-F313 VanDerWaalsContact O-N 3.09Å; T310-F313 PolarHBondContact O-N 2.82Å; S311-F313 VanDerWaalsContact C-N 3.33Å; F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 2.75Å; F313-H316 PolarHBondContact O-N 2.73Å; F313-V317 WeakPolarHBondContact O-CG2 2.99Å; F313-V317 PolarHBondContact O-N 2.73Å; F313-V348 HydrophobicContact CD2-CG1 4.07Å; F313-V348 HydrophobicContact CD2-CG2 4.13Å; F313-V348 HydrophobicContact CE2-CG1 3.88Å; F313-F440 HydrophobicContact CD1-CD2 4.06Å; F313-F440 HydrophobicContact CD1-CE2 4.38Å; F313-F440 HydrophobicContact CD1-CG 4.2Å; F313-F440 HydrophobicContact CE1-CB 3.7Å; F313-F440 HydrophobicContact CE1-CD1 4.43Å; F313-F440 AromaticContact CE1-CD2 3.73Å; F313-F440 HydrophobicContact CE1-CD2 3.73Å; F313-F440 HydrophobicContact CE1-CE2 4.49Å; F313-F440 AromaticContact CE1-CG 3.7Å; F313-F440 HydrophobicContact CE1-CG 3.7Å; F313-F440 HydrophobicContact CZ-CB 4.39Å |
| 314 | T | 92.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 3% | 0.025 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.6 | -35.9 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | V82 V83 V107 T310 S311 V317 Q318 | V82-T314 HydrophobicContact CG1-CG2 4.03Å; V83-T314 HydrophobicContact CG2-CG2 4.03Å; V107-T314 HydrophobicContact CG1-CG2 4.18Å; V107-T314 HydrophobicContact CG2-CG2 3.78Å; T310-T314 WeakPolarHBondContact O-CG2 3.4Å; T310-T314 PolarHBondContact O-N 2.68Å; T310-T314 PolarHBondContact O-OG1 3.25Å; T310-T314 VanDerWaalsContact O-OG1 3.11Å; S311-T314 PolarHBondContact O-OG1 3.24Å; T314-V317 PolarHBondContact O-N 2.93Å; T314-Q318 WeakPolarHBondContact O-CB 3.45Å; T314-Q318 WeakPolarHBondContact O-CG 3.43Å; T314-Q318 PolarHBondContact O-N 2.88Å; T314-Q318 PolarHBondContact O-OE1 3.13Å |
| 315 | Q | 92.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 8.1 Ų | 8.1 | 6% | 0.061 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 173.6 | -74.9 | 177.8 | 70.5 | 0 | 0 | 113.4 | S311 F313 T319 | S311-Q315 WeakPolarHBondContact O-CB 3.33Å; S311-Q315 VanDerWaalsContact O-CG 3.26Å; S311-Q315 WeakPolarHBondContact O-CG 3.42Å; S311-Q315 PolarHBondContact O-N 3.18Å; S311-Q315 VanDerWaalsContact O-N 3.09Å; S311-Q315 PolarHBondContact O-NE2 3.18Å; S311-Q315 PolarHBondContact OG-NE2 2.74Å; F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 2.75Å; Q315-T319 PolarHBondContact O-N 3.22Å; Q315-T319 VanDerWaalsContact O-N 3.11Å; Q315-T319 PolarHBondContact O-OG1 3.01Å |
| 316 | H | 93.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 2% | 0.023 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 175.7 | -74.3 | 75.5 | 0 | 0 | 0 | 111.5 | I312 F313 A320 F440 S501 F505 | I312-H316 PolarHBondContact O-N 2.85Å; I312-H316 PolarHBondContact O-ND1 3.34Å; F313-H316 PolarHBondContact O-N 2.73Å; H316-A320 WeakPolarHBondContact O-CB 3.2Å; H316-A320 PolarHBondContact O-N 2.86Å; H316-F440 HydrophobicContact CB-CE1 4.41Å; H316-F440 HydrophobicContact CB-CZ 4.15Å; H316-F440 AromaticContact CD2-CE1 3.84Å; H316-F440 AromaticContact CG-CE1 3.93Å; H316-S501 PolarHBondContact CD2-O 2.76Å; H316-S501 WeakPolarHBondContact NE2-CB 3.47Å; H316-S501 PolarHBondContact NE2-OG 2.83Å; H316-F505 HydrophobicContact CB-CD1 3.8Å; H316-F505 HydrophobicContact CB-CE1 4.27Å; H316-F505 HydrophobicContact CB-CG 4.31Å; H316-F505 WeakPolarHBondContact O-CD1 3.41Å |
| 317 | V | 93.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | V82 L280 L282 F313 T314 A320 Q321 F343 V345 F505 | V82-V317 HydrophobicContact CG1-CB 4.2Å; V82-V317 HydrophobicContact CG1-CG1 3.97Å; L280-V317 HydrophobicContact CD1-CG1 4.27Å; L280-V317 HydrophobicContact CD1-CG2 3.74Å; L282-V317 HydrophobicContact CD1-CG2 3.94Å; F313-V317 WeakPolarHBondContact O-CG2 2.99Å; F313-V317 PolarHBondContact O-N 2.73Å; T314-V317 PolarHBondContact O-N 2.93Å; V317-A320 PolarHBondContact O-N 2.74Å; V317-Q321 WeakPolarHBondContact O-CB 3.46Å; V317-Q321 PolarHBondContact O-N 3.12Å; V317-F343 HydrophobicContact CG1-CB 3.88Å; V317-V345 HydrophobicContact CG1-CG2 4.42Å; V317-V345 HydrophobicContact CG2-CG2 3.91Å; V317-F505 HydrophobicContact CG2-CE1 4.18Å; V317-F505 HydrophobicContact CG2-CZ 4.44Å |
| 318 | Q | 90.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.7 | -77.3 | 169.4 | -35 | 0 | 0 | 111.9 | D79 V82 V108 F121 T314 Q321 L322 | D79-Q318 PolarHBondContact OD2-NE2 2.88Å; V82-Q318 HydrophobicContact CG2-CG 3.65Å; V108-Q318 PolarHBondContact O-NE2 2.82Å; F121-Q318 HydrophobicContact CB-CB 4.32Å; F121-Q318 HydrophobicContact CB-CG 4.41Å; F121-Q318 HydrophobicContact CD2-CB 3.5Å; F121-Q318 VanDerWaalsContact CD2-CB 3.5Å; F121-Q318 HydrophobicContact CD2-CG 4.32Å; F121-Q318 HydrophobicContact CE2-CB 3.99Å; F121-Q318 HydrophobicContact CG-CB 4.07Å; T314-Q318 WeakPolarHBondContact O-CB 3.45Å; T314-Q318 WeakPolarHBondContact O-CG 3.43Å; T314-Q318 PolarHBondContact O-N 2.88Å; T314-Q318 PolarHBondContact O-OE1 3.13Å; Q318-Q321 PolarHBondContact O-N 3.26Å; Q318-L322 WeakPolarHBondContact O-CG 3.35Å; Q318-L322 PolarHBondContact O-N 3.47Å |
| 319 | T | 88.1 | Confident | 89.2 | Confident | 13 Ų | 13 | 13.6 Ų | 13.6 | 8% | 0.08 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | F121 Q315 Q321 L322 I323 Q502 | F121-T319 VanDerWaalsContact CE2-OG1 3.22Å; F121-T319 WeakPolarHBondContact CE2-OG1 3.37Å; F121-T319 WeakPolarHBondContact CZ-OG1 3.45Å; Q315-T319 PolarHBondContact O-N 3.22Å; Q315-T319 VanDerWaalsContact O-N 3.11Å; Q315-T319 PolarHBondContact O-OG1 3.01Å; T319-Q321 VanDerWaalsContact C-N 3.31Å; T319-Q321 PolarHBondContact O-N 2.51Å; T319-L322 PolarHBondContact O-N 3Å; T319-I323 HydrophobicContact CG2-CD1 4.12Å; T319-I323 WeakPolarHBondContact O-CG1 3.24Å; T319-I323 PolarHBondContact O-N 3.43Å; T319-I323 VanDerWaalsContact O-N 3.13Å; T319-Q502 HydrophobicContact CG2-CB 3.88Å; T319-Q502 HydrophobicContact CG2-CG 4.42Å; T319-Q502 PolarHBondContact OG1-NE2 3.32Å; T319-Q502 PolarHBondContact OG1-OE1 3.27Å |
| 320 | A | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H316 V317 I323 Y324 F343 F505 L509 | H316-A320 WeakPolarHBondContact O-CB 3.2Å; H316-A320 PolarHBondContact O-N 2.86Å; V317-A320 PolarHBondContact O-N 2.74Å; A320-I323 PolarHBondContact O-N 3.13Å; A320-Y324 WeakPolarHBondContact O-CB 3.27Å; A320-Y324 VanDerWaalsContact O-CD2 3.31Å; A320-Y324 WeakPolarHBondContact O-CD2 3.08Å; A320-Y324 PolarHBondContact O-N 2.91Å; A320-F343 HydrophobicContact CB-CD2 4.19Å; A320-F343 HydrophobicContact CB-CE2 4.13Å; A320-F505 HydrophobicContact CB-CD1 3.9Å; A320-F505 HydrophobicContact CB-CE1 3.88Å; A320-L509 HydrophobicContact CB-CD1 3.69Å |
| 321 | Q | 87.8 | Confident | 88.5 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.047 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.2 | -178.2 | 173.2 | -8 | 0 | 0 | 111.8 | V317 Q318 T319 I323 Y324 Q325 F343 | V317-Q321 WeakPolarHBondContact O-CB 3.46Å; V317-Q321 PolarHBondContact O-N 3.12Å; Q318-Q321 PolarHBondContact O-N 3.26Å; T319-Q321 VanDerWaalsContact C-N 3.31Å; T319-Q321 PolarHBondContact O-N 2.51Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-I323 PolarHBondContact O-N 3.28Å; Q321-Y324 PolarHBondContact O-N 2Å; Q321-Q325 VanDerWaalsContact CG-CD 3.43Å; Q321-Q325 HydrophobicContact CG-CG 3.83Å; Q321-Q325 WeakPolarHBondContact O-CB 3.08Å; Q321-Q325 WeakPolarHBondContact O-CG 3.06Å; Q321-Q325 PolarHBondContact O-N 3.38Å; Q321-F343 HydrophobicContact CB-CD2 4.42Å |
| 322 | L | 83 | Confident | 88 | Confident | 22 Ų | 22 | 25.5 Ų | 25.5 | 12% | 0.115 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.2 | -75.1 | 169.6 | 0 | 0 | 0 | 112 | F121 L140 L141 Q318 T319 | F121-L322 HydrophobicContact CD1-CD1 3.8Å; F121-L322 HydrophobicContact CE1-CD1 3.41Å; F121-L322 VanDerWaalsContact CE1-CD1 3.41Å; F121-L322 HydrophobicContact CZ-CD1 4.06Å; L140-L322 HydrophobicContact CD1-CD1 4.34Å; L141-L322 HydrophobicContact CD2-CB 4.33Å; L141-L322 VanDerWaalsContact CD2-O 3.3Å; L141-L322 WeakPolarHBondContact CD2-O 3.34Å; Q318-L322 WeakPolarHBondContact O-CG 3.35Å; Q318-L322 PolarHBondContact O-N 3.47Å; T319-L322 PolarHBondContact O-N 3Å |
| 323 | I | 86.5 | Confident | 87.3 | Confident | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.046 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 179.4 | -67 | 167.6 | 0 | 0 | 0 | 111.3 | L141 T319 A320 Q321 A327 L503 A506 I540 F556 | L141-I323 HydrophobicContact CD2-CB 4.47Å; L141-I323 HydrophobicContact CD2-CG1 4.1Å; T319-I323 HydrophobicContact CG2-CD1 4.12Å; T319-I323 WeakPolarHBondContact O-CG1 3.24Å; T319-I323 PolarHBondContact O-N 3.43Å; T319-I323 VanDerWaalsContact O-N 3.13Å; A320-I323 PolarHBondContact O-N 3.13Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-I323 PolarHBondContact O-N 3.28Å; I323-A327 WeakPolarHBondContact O-CB 3.48Å; I323-A327 PolarHBondContact O-N 3.25Å; I323-L503 HydrophobicContact CD1-CD2 3.91Å; I323-A506 HydrophobicContact CD1-CB 3.93Å; I323-I540 HydrophobicContact CG2-CD1 3.65Å; I323-F556 HydrophobicContact CG2-CE2 3.95Å |
| 324 | Y | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -79.9 | -23.9 | -174 | -84.2 | -108.5 | 0 | 0 | 0 | 114.3 | A320 Q321 F329 G340 V341 F343 A506 L509 G510 F513 F556 | A320-Y324 WeakPolarHBondContact O-CB 3.27Å; A320-Y324 VanDerWaalsContact O-CD2 3.31Å; A320-Y324 WeakPolarHBondContact O-CD2 3.08Å; A320-Y324 PolarHBondContact O-N 2.91Å; Q321-Y324 PolarHBondContact O-N 2Å; Y324-F329 HydrophobicContact CD1-CE2 4.41Å; Y324-F329 AromaticContact CD1-CZ 3.74Å; Y324-F329 HydrophobicContact CD1-CZ 3.74Å; Y324-F329 HydrophobicContact CE1-CZ 4.2Å; Y324-F329 HydrophobicContact CG-CZ 4.41Å; Y324-G340 CarbonylContact O-C 3.55Å; Y324-G340 WeakPolarHBondContact O-CA 3.05Å; Y324-V341 CarbonylContact C-O 3.51Å; Y324-V341 WeakPolarHBondContact CB-O 3.4Å; Y324-V341 HydrophobicContact CD1-CB 4.21Å; Y324-V341 PolarHBondContact O-N 3.44Å; Y324-F343 HydrophobicContact CD1-CE2 4.03Å; Y324-F343 AromaticContact CD1-CZ 3.88Å; Y324-F343 HydrophobicContact CD1-CZ 3.88Å; Y324-F343 AromaticContact CD2-CE2 3.76Å; Y324-F343 HydrophobicContact CD2-CE2 3.76Å; Y324-F343 HydrophobicContact CD2-CZ 4.18Å; Y324-F343 HydrophobicContact CE1-CZ 4.13Å; Y324-F343 HydrophobicContact CE2-CE2 4.35Å; Y324-F343 HydrophobicContact CE2-CZ 4.41Å; Y324-F343 AromaticContact CG-CE2 3.56Å; Y324-F343 HydrophobicContact CG-CE2 3.56Å; Y324-F343 AromaticContact CG-CZ 3.9Å; Y324-F343 HydrophobicContact CG-CZ 3.9Å; Y324-A506 PolarHBondContact OH-O 2.88Å; Y324-L509 HydrophobicContact CE2-CB 4.23Å; Y324-L509 WeakPolarHBondContact OH-CB 3.48Å; Y324-G510 VanDerWaalsContact OH-CA 3.27Å; Y324-G510 WeakPolarHBondContact OH-CA 3.22Å; Y324-G510 PolarHBondContact OH-N 3.07Å; Y324-F513 HydrophobicContact CE1-CD1 4.4Å; Y324-F513 AromaticContact CE1-CD2 3.83Å; Y324-F513 HydrophobicContact CE1-CD2 3.83Å; Y324-F513 HydrophobicContact CE1-CE2 4.05Å; Y324-F513 HydrophobicContact CE1-CG 4.03Å; Y324-F513 HydrophobicContact CE1-CZ 4.43Å; Y324-F556 HydrophobicContact CD2-CE2 4.32Å; Y324-F556 HydrophobicContact CD2-CZ 4.47Å; Y324-F556 HydrophobicContact CE1-CE2 4.48Å; Y324-F556 HydrophobicContact CE1-CZ 4.39Å; Y324-F556 AromaticContact CE2-CE2 3.96Å; Y324-F556 HydrophobicContact CE2-CE2 3.96Å; Y324-F556 AromaticContact CE2-CZ 3.67Å; Y324-F556 HydrophobicContact CE2-CZ 3.67Å; Y324-F556 AromaticContact CZ-CZ 3.63Å |
| 325 | Q | 82.7 | Confident | 85.9 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.1 | -33.6 | 176.4 | -74.2 | -173.5 | -36.7 | 0 | 0 | 112.7 | P273 Q321 V341 S342 | P273-Q325 HydrophobicContact CB-CB 4.24Å; P273-Q325 HydrophobicContact CB-CG 3.9Å; P273-Q325 HydrophobicContact CG-CB 4.11Å; P273-Q325 HydrophobicContact CG-CG 4.04Å; Q321-Q325 VanDerWaalsContact CG-CD 3.43Å; Q321-Q325 HydrophobicContact CG-CG 3.83Å; Q321-Q325 WeakPolarHBondContact O-CB 3.08Å; Q321-Q325 WeakPolarHBondContact O-CG 3.06Å; Q321-Q325 PolarHBondContact O-N 3.38Å; Q325-V341 WeakPolarHBondContact CG-O 3.47Å; Q325-V341 PolarHBondContact N-O 2.78Å; Q325-S342 PolarHBondContact NE2-OG 2.87Å |
| 326 | D | 75.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 41 Ų | 41 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -83.4 | -27 | -177.9 | -146.8 | 62 | 0 | 0 | 0 | 112.2 | L141 H142 | L141-D326 HydrophobicContact CD1-CB 3.83Å; L141-D326 HydrophobicContact CD2-CB 4.42Å; H142-D326 IonicContact CD2-OD2 2.77Å |
| 327 | A | 81.6 | Confident | 85.2 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | trans | -63.2 | 133.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | I323 F329 G340 | I323-A327 WeakPolarHBondContact O-CB 3.48Å; I323-A327 PolarHBondContact O-N 3.25Å; A327-F329 HydrophobicContact CB-CE1 3.93Å; A327-F329 HydrophobicContact CB-CE2 4.11Å; A327-F329 HydrophobicContact CB-CZ 3.67Å; A327-G340 WeakPolarHBondContact O-CA 3.23Å; A327-G340 PolarHBondContact O-N 3.41Å | ||
| 328 | I | 84.5 | Confident | 84.7 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 30% | 0.297 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 98.4 | 171.8 | -48.5 | 179.1 | 0 | 0 | 0 | 108 | R330 E337 | I328-R330 HydrophobicContact CG2-CG 4.1Å; I328-R330 PolarHBondContact O-N 3.28Å; I328-E337 HydrophobicContact CG2-CG 3.69Å |
| 329 | F | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.1 | -179.5 | -55.8 | -71.8 | 0 | 0 | 0 | 109.3 | Y324 A327 E337 F338 V341 F556 L561 I564 A565 L568 | Y324-F329 HydrophobicContact CD1-CE2 4.41Å; Y324-F329 AromaticContact CD1-CZ 3.74Å; Y324-F329 HydrophobicContact CD1-CZ 3.74Å; Y324-F329 HydrophobicContact CE1-CZ 4.2Å; Y324-F329 HydrophobicContact CG-CZ 4.41Å; A327-F329 HydrophobicContact CB-CE1 3.93Å; A327-F329 HydrophobicContact CB-CE2 4.11Å; A327-F329 HydrophobicContact CB-CZ 3.67Å; F329-E337 CarbonylContact O-C 3.56Å; F329-E337 WeakPolarHBondContact O-CA 3.44Å; F329-F338 HydrophobicContact CB-CB 4.42Å; F329-F338 PolarHBondContact N-O 3.42Å; F329-F338 PolarHBondContact O-N 3.04Å; F329-V341 HydrophobicContact CE2-CB 4.45Å; F329-V341 HydrophobicContact CE2-CG2 3.98Å; F329-F556 HydrophobicContact CE1-CD2 4.17Å; F329-F556 HydrophobicContact CE1-CE2 4.32Å; F329-L561 HydrophobicContact CD1-CD2 3.68Å; F329-L561 HydrophobicContact CE1-CD2 4.06Å; F329-I564 HydrophobicContact CB-CG2 4.37Å; F329-I564 HydrophobicContact CD1-CB 3.8Å; F329-I564 HydrophobicContact CD1-CD1 4.09Å; F329-I564 HydrophobicContact CD1-CG2 3.42Å; F329-I564 VanDerWaalsContact CD1-CG2 3.42Å; F329-I564 HydrophobicContact CD2-CG2 4.4Å; F329-I564 HydrophobicContact CE1-CB 4.25Å; F329-I564 HydrophobicContact CE1-CD1 3.77Å; F329-I564 HydrophobicContact CE1-CG2 3.73Å; F329-I564 HydrophobicContact CG-CB 4.47Å; F329-I564 HydrophobicContact CG-CG2 3.81Å; F329-I564 HydrophobicContact CZ-CG2 4.33Å; F329-A565 HydrophobicContact CB-CB 4.26Å; F329-L568 HydrophobicContact CB-CD1 4.13Å; F329-L568 HydrophobicContact CD2-CD1 3.88Å; F329-L568 HydrophobicContact CG-CD1 4.1Å |
| 330 | R | 86.4 | Confident | 84 | Confident | 114 Ų | 114 | 48 Ų | 48 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.3 | -177.9 | -74 | 176.4 | 171.2 | 143.2 | 0.1 | 110.9 | I328 L336 E337 L561 D562 | I328-R330 HydrophobicContact CG2-CG 4.1Å; I328-R330 PolarHBondContact O-N 3.28Å; R330-L336 VanDerWaalsContact CA-O 3.29Å; R330-L336 WeakPolarHBondContact CA-O 3.3Å; R330-E337 HydrophobicContact CG-CB 4.14Å; R330-E337 HydrophobicContact CG-CG 4.12Å; R330-E337 IonicContact CZ-OE1 2.68Å; R330-E337 IonicContact CZ-OE2 3.96Å; R330-E337 IonicContact NE-OE1 3.85Å; R330-E337 IonicContact NE-OE2 3.71Å; R330-E337 PolarHBondContact NE-OE2 3.13Å; R330-E337 IonicContact NH2-OE1 2.65Å; R330-E337 PolarHBondContact NH2-OE1 3.3Å; R330-E337 VanDerWaalsContact NH2-OE1 3.12Å; R330-E337 IonicContact NH2-OE2 3.57Å; R330-E337 PolarHBondContact NH2-OE2 2.93Å; R330-L561 CarbonylContact O-C 3.34Å; R330-D562 VanDerWaalsContact O-CA 3.23Å; R330-D562 WeakPolarHBondContact O-CA 3.43Å; R330-D562 PolarHBondContact O-N 2.94Å |
| 331 | D | 87.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 48 Ų | 48 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | trans | -80 | 152.9 | 168.4 | 90.9 | -71.1 | 0 | 0 | 0 | 111.4 | S333 G334 R335 L336 D562 A565 | D331-S333 PolarHBondContact O-N 3.05Å; D331-S333 WeakPolarHBondContact OD2-CA 3.3Å; D331-S333 VanDerWaalsContact OD2-CB 3.25Å; D331-S333 WeakPolarHBondContact OD2-CB 3.33Å; D331-S333 PolarHBondContact OD2-N 2.96Å; D331-S333 PolarHBondContact OD2-OG 2.89Å; D331-G334 PolarHBondContact O-N 3.01Å; D331-G334 PolarHBondContact OD1-N 2.54Å; D331-R335 PolarHBondContact OD1-N 2.98Å; D331-L336 HydrophobicContact CB-CB 4.17Å; D331-L336 HydrophobicContact CB-CD1 4.31Å; D331-L336 HydrophobicContact CB-CG 4.47Å; D331-L336 PolarHBondContact N-O 2.83Å; D331-L336 PolarHBondContact OD1-N 2.74Å; D331-D562 WeakPolarHBondContact CA-OD1 3.08Å; D331-A565 HydrophobicContact CB-CB 4.45Å | ||
| 332 | H | 80.8 | Confident | 83.8 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.7 | 179.7 | 70.6 | -69.8 | 0 | 0 | 0 | 114.4 | Y526 D562 | H332-Y526 HydrophobicContact CB-CE1 4.47Å; H332-D562 IonicContact CE1-OD1 2.83Å; H332-D562 IonicContact CG-OD1 3.72Å; H332-D562 PolarHBondContact N-OD1 3.42Å; H332-D562 IonicContact ND1-OD1 3.68Å; H332-D562 PolarHBondContact ND1-OD1 3.46Å |
| 333 | S | 80.2 | Confident | 84.1 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -1.6 | 176.1 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | D331 R335 | D331-S333 PolarHBondContact O-N 3.05Å; D331-S333 WeakPolarHBondContact OD2-CA 3.3Å; D331-S333 VanDerWaalsContact OD2-CB 3.25Å; D331-S333 WeakPolarHBondContact OD2-CB 3.33Å; D331-S333 PolarHBondContact OD2-N 2.96Å; D331-S333 PolarHBondContact OD2-OG 2.89Å; S333-R335 VanDerWaalsContact C-N 3.28Å; S333-R335 PolarHBondContact O-N 2.92Å; S333-R335 VanDerWaalsContact OG-CD 3.28Å; S333-R335 WeakPolarHBondContact OG-CD 3.4Å; S333-R335 WeakPolarHBondContact OG-CG 3.2Å |
| 334 | G | 76.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 67% | 0.67 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 66.7 | 24.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D331 | D331-G334 PolarHBondContact O-N 3.01Å; D331-G334 PolarHBondContact OD1-N 2.54Å |
| 335 | R | 82.9 | Confident | 84.3 | Confident | 216 Ų | 216 | 48.7 Ų | 48.7 | 82% | 0.815 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -96.9 | -26.4 | -179.8 | -66.1 | 177.7 | -175.8 | 177.2 | 1 | 112.6 | D331 S333 | D331-R335 PolarHBondContact OD1-N 2.98Å; S333-R335 VanDerWaalsContact C-N 3.28Å; S333-R335 PolarHBondContact O-N 2.92Å; S333-R335 VanDerWaalsContact OG-CD 3.28Å; S333-R335 WeakPolarHBondContact OG-CD 3.4Å; S333-R335 WeakPolarHBondContact OG-CG 3.2Å |
| 336 | L | 84.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -113.6 | 126.7 | 177.4 | -57.2 | 176.9 | 0 | 0 | 0 | 108.4 | R330 D331 F338 A565 D569 | R330-L336 VanDerWaalsContact CA-O 3.29Å; R330-L336 WeakPolarHBondContact CA-O 3.3Å; D331-L336 HydrophobicContact CB-CB 4.17Å; D331-L336 HydrophobicContact CB-CD1 4.31Å; D331-L336 HydrophobicContact CB-CG 4.47Å; D331-L336 PolarHBondContact N-O 2.83Å; D331-L336 PolarHBondContact OD1-N 2.74Å; L336-F338 HydrophobicContact CB-CE2 4.12Å; L336-A565 HydrophobicContact CB-CB 4.4Å; L336-D569 HydrophobicContact CD1-CB 3.73Å; L336-D569 HydrophobicContact CD2-CB 3.92Å; L336-D569 VanDerWaalsContact CD2-OD1 3.29Å; L336-D569 WeakPolarHBondContact CD2-OD1 3.34Å; L336-D569 HydrophobicContact CG-CB 4.44Å | ||
| 337 | E | 86.1 | Confident | 85.3 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 123.8 | 170.3 | 175.6 | 165.9 | 154.6 | 0 | 0 | 108.5 | I328 F329 R330 R339 | I328-E337 HydrophobicContact CG2-CG 3.69Å; F329-E337 CarbonylContact O-C 3.56Å; F329-E337 WeakPolarHBondContact O-CA 3.44Å; R330-E337 HydrophobicContact CG-CB 4.14Å; R330-E337 HydrophobicContact CG-CG 4.12Å; R330-E337 IonicContact CZ-OE1 2.68Å; R330-E337 IonicContact CZ-OE2 3.96Å; R330-E337 IonicContact NE-OE1 3.85Å; R330-E337 IonicContact NE-OE2 3.71Å; R330-E337 PolarHBondContact NE-OE2 3.13Å; R330-E337 IonicContact NH2-OE1 2.65Å; R330-E337 PolarHBondContact NH2-OE1 3.3Å; R330-E337 VanDerWaalsContact NH2-OE1 3.12Å; R330-E337 IonicContact NH2-OE2 3.57Å; R330-E337 PolarHBondContact NH2-OE2 2.93Å; E337-R339 IonicContact OE1-CZ 2.8Å; E337-R339 IonicContact OE1-NH1 3.49Å; E337-R339 PolarHBondContact OE1-NH1 3.41Å; E337-R339 IonicContact OE1-NH2 3.37Å; E337-R339 PolarHBondContact OE1-NH2 2.94Å |
| 338 | F | 82.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.7 | 173.3 | -56.8 | -81.7 | 0 | 0 | 0 | 109 | F329 L336 G340 A565 L568 D569 L572 | F329-F338 HydrophobicContact CB-CB 4.42Å; F329-F338 PolarHBondContact N-O 3.42Å; F329-F338 PolarHBondContact O-N 3.04Å; L336-F338 HydrophobicContact CB-CE2 4.12Å; F338-G340 PolarHBondContact O-N 2.72Å; F338-A565 HydrophobicContact CD2-CB 4.44Å; F338-A565 WeakPolarHBondContact CE2-O 3.39Å; F338-L568 HydrophobicContact CB-CD1 4.06Å; F338-L568 HydrophobicContact CD2-CB 3.91Å; F338-L568 HydrophobicContact CD2-CD1 4.11Å; F338-L568 HydrophobicContact CE2-CB 3.91Å; F338-L568 HydrophobicContact CG-CB 4.34Å; F338-L568 HydrophobicContact CG-CD1 4.18Å; F338-L568 HydrophobicContact CZ-CB 4.36Å; F338-D569 HydrophobicContact CE2-CB 4.1Å; F338-D569 HydrophobicContact CZ-CB 3.89Å; F338-L572 HydrophobicContact CD1-CD1 4.05Å; F338-L572 HydrophobicContact CE1-CD1 3.78Å; F338-L572 HydrophobicContact CZ-CD1 4.45Å |
| 339 | R | 81.5 | Confident | 86.4 | Confident | 92 Ų | 92 | 45.9 Ų | 45.9 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 93.3 | 174.2 | -67.8 | -169 | -154.2 | -59 | -39.9 | 110.7 | D270 G272 P273 R276 E337 | D270-R339 WeakPolarHBondContact OD1-CG 3.16Å; D270-R339 IonicContact OD1-NE 3.62Å; D270-R339 WeakPolarHBondContact OD2-CD 3.37Å; D270-R339 IonicContact OD2-CZ 2.66Å; D270-R339 IonicContact OD2-NE 3.67Å; D270-R339 PolarHBondContact OD2-NE 2.8Å; D270-R339 IonicContact OD2-NH2 3.99Å; D270-R339 PolarHBondContact OD2-NH2 3.22Å; G272-R339 CarbonylContact C-O 3.6Å; P273-R339 WeakPolarHBondContact CA-O 3.46Å; P273-R339 WeakPolarHBondContact CD-O 3.44Å; P273-R339 VanDerWaalsContact N-O 3.09Å; R276-R339 PolarHBondContact NH2-O 2.89Å; E337-R339 IonicContact OE1-CZ 2.8Å; E337-R339 IonicContact OE1-NH1 3.49Å; E337-R339 PolarHBondContact OE1-NH1 3.41Å; E337-R339 IonicContact OE1-NH2 3.37Å; E337-R339 PolarHBondContact OE1-NH2 2.94Å |
| 340 | G | 82.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 62.6 | 177.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117 | R276 Y324 A327 F338 | R276-G340 PolarHBondContact NE-O 2.94Å; Y324-G340 CarbonylContact O-C 3.55Å; Y324-G340 WeakPolarHBondContact O-CA 3.05Å; A327-G340 WeakPolarHBondContact O-CA 3.23Å; A327-G340 PolarHBondContact O-N 3.41Å; F338-G340 PolarHBondContact O-N 2.72Å | ||
| 341 | V | 87.2 | Confident | 87 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -141.2 | 141.2 | 177.4 | 169 | 0 | 0 | 0 | 0 | 107.9 | R276 C278 Y324 Q325 F329 F343 F513 L568 F579 | R276-V341 HydrophobicContact CB-CG2 4.3Å; R276-V341 WeakPolarHBondContact O-CG1 3.21Å; C278-V341 HydrophobicContact CB-CG1 4.4Å; Y324-V341 CarbonylContact C-O 3.51Å; Y324-V341 WeakPolarHBondContact CB-O 3.4Å; Y324-V341 HydrophobicContact CD1-CB 4.21Å; Y324-V341 PolarHBondContact O-N 3.44Å; Q325-V341 WeakPolarHBondContact CG-O 3.47Å; Q325-V341 PolarHBondContact N-O 2.78Å; F329-V341 HydrophobicContact CE2-CB 4.45Å; F329-V341 HydrophobicContact CE2-CG2 3.98Å; V341-F343 HydrophobicContact CG1-CE1 4.48Å; V341-F343 HydrophobicContact CG1-CZ 4.41Å; V341-F513 HydrophobicContact CG1-CE1 3.98Å; V341-F513 HydrophobicContact CG1-CZ 3.78Å; V341-F513 HydrophobicContact CG2-CE1 4.04Å; V341-L568 HydrophobicContact CG2-CD1 4.31Å; V341-L568 HydrophobicContact CG2-CD2 4.25Å; V341-F579 HydrophobicContact CG1-CE1 4.08Å | ||
| 342 | S | 87.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 156.8 | 174.5 | -74.1 | 0 | 0 | 0 | 0 | 110.8 | P273 N274 R276 V277 C278 Q325 | P273-S342 PolarHBondContact O-N 2.86Å; P273-S342 PolarHBondContact O-OG 3.36Å; N274-S342 PolarHBondContact OD1-OG 2.77Å; R276-S342 PolarHBondContact O-N 3.38Å; V277-S342 CarbonylContact C-O 3.52Å; V277-S342 WeakPolarHBondContact CA-O 3.48Å; C278-S342 PolarHBondContact N-O 3Å; Q325-S342 PolarHBondContact NE2-OG 2.87Å |
| 343 | F | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.4 | 174.6 | -66 | -70.1 | 0 | 0 | 0 | 111.2 | C278 L280 V317 A320 Q321 Y324 V341 L509 F513 | C278-F343 HydrophobicContact CB-CD1 3.73Å; C278-F343 HydrophobicContact CB-CE1 3.82Å; C278-F343 WeakPolarHBondContact O-CA 3.32Å; L280-F343 HydrophobicContact CD1-CB 4.1Å; L280-F343 HydrophobicContact CD1-CD1 4.18Å; L280-F343 HydrophobicContact CD1-CG 4.38Å; L280-F343 HydrophobicContact CD2-CD1 4.14Å; L280-F343 HydrophobicContact CG-CD1 4.35Å; V317-F343 HydrophobicContact CG1-CB 3.88Å; A320-F343 HydrophobicContact CB-CD2 4.19Å; A320-F343 HydrophobicContact CB-CE2 4.13Å; Q321-F343 HydrophobicContact CB-CD2 4.42Å; Y324-F343 HydrophobicContact CD1-CE2 4.03Å; Y324-F343 AromaticContact CD1-CZ 3.88Å; Y324-F343 HydrophobicContact CD1-CZ 3.88Å; Y324-F343 AromaticContact CD2-CE2 3.76Å; Y324-F343 HydrophobicContact CD2-CE2 3.76Å; Y324-F343 HydrophobicContact CD2-CZ 4.18Å; Y324-F343 HydrophobicContact CE1-CZ 4.13Å; Y324-F343 HydrophobicContact CE2-CE2 4.35Å; Y324-F343 HydrophobicContact CE2-CZ 4.41Å; Y324-F343 AromaticContact CG-CE2 3.56Å; Y324-F343 HydrophobicContact CG-CE2 3.56Å; Y324-F343 AromaticContact CG-CZ 3.9Å; Y324-F343 HydrophobicContact CG-CZ 3.9Å; V341-F343 HydrophobicContact CG1-CE1 4.48Å; V341-F343 HydrophobicContact CG1-CZ 4.41Å; F343-L509 HydrophobicContact CE1-CD1 4.34Å; F343-L509 HydrophobicContact CE1-CD2 4.24Å; F343-L509 HydrophobicContact CE2-CD1 4.09Å; F343-L509 HydrophobicContact CZ-CD1 3.85Å; F343-L509 HydrophobicContact CZ-CD2 4.39Å; F343-F513 AromaticContact CE1-CE2 3.85Å; F343-F513 HydrophobicContact CE1-CE2 3.85Å; F343-F513 HydrophobicContact CE1-CZ 4.05Å; F343-F513 AromaticContact CZ-CE2 3.88Å; F343-F513 HydrophobicContact CZ-CE2 3.88Å; F343-F513 HydrophobicContact CZ-CZ 4.18Å |
| 344 | R | 87.9 | Confident | 88 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 139.4 | 174.7 | -169 | -176 | 73.2 | -162.5 | 3.1 | 111 | H84 V277 C278 N279 L280 D346 L580 | H84-R344 HydrophobicContact CB-CG 4.25Å; V277-R344 HydrophobicContact CG1-CB 3.89Å; C278-R344 PolarHBondContact O-N 3.4Å; N279-R344 CarbonylContact C-O 3.42Å; N279-R344 WeakPolarHBondContact CA-O 3.23Å; L280-R344 PolarHBondContact N-O 3.22Å; R344-D346 IonicContact CZ-OD1 3.85Å; R344-D346 VanDerWaalsContact CZ-OD1 3.25Å; R344-D346 IonicContact CZ-OD2 3.05Å; R344-D346 IonicContact NE-OD1 3.11Å; R344-D346 PolarHBondContact NE-OD1 2.81Å; R344-D346 VanDerWaalsContact NH2-CG 3.28Å; R344-D346 IonicContact NH2-OD1 2.6Å; R344-D346 PolarHBondContact NH2-OD1 3.03Å; R344-D346 IonicContact NH2-OD2 3.39Å; R344-D346 PolarHBondContact NH2-OD2 2.89Å; R344-L580 VanDerWaalsContact NH2-CD1 3.28Å |
| 345 | V | 91.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | V82 H84 L100 L282 V317 V348 | V82-V345 PolarHBondContact O-N 2.85Å; H84-V345 PolarHBondContact N-O 3.14Å; L100-V345 HydrophobicContact CD2-CB 4.44Å; L100-V345 HydrophobicContact CD2-CG1 3.73Å; L282-V345 HydrophobicContact CD1-CG1 4.1Å; L282-V345 HydrophobicContact CD1-CG2 3.71Å; L282-V345 HydrophobicContact CG-CG1 4.43Å; V317-V345 HydrophobicContact CG1-CG2 4.42Å; V317-V345 HydrophobicContact CG2-CG2 3.91Å; V345-V348 HydrophobicContact CG1-CG2 3.65Å |
| 346 | D | 89 | Confident | 88.5 | Confident | 24 Ų | 24 | 29.8 Ų | 29.8 | 13% | 0.128 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -27 | -178.4 | -81.6 | 21.8 | 0 | 0 | 0 | 112.7 | H84 A87 K88 N279 L280 R344 F434 | H84-D346 WeakPolarHBondContact CB-OD1 2.99Å; H84-D346 IonicContact CG-OD1 3.39Å; A87-D346 VanDerWaalsContact CA-O 3.28Å; A87-D346 WeakPolarHBondContact CA-O 2.96Å; K88-D346 PolarHBondContact N-O 3.09Å; K88-D346 VanDerWaalsContact N-O 3.1Å; N279-D346 HydrophobicContact CB-CB 4.37Å; N279-D346 WeakPolarHBondContact CB-OD2 3.17Å; N279-D346 PolarHBondContact ND2-OD2 3.17Å; L280-D346 PolarHBondContact O-N 3.25Å; R344-D346 IonicContact CZ-OD1 3.85Å; R344-D346 VanDerWaalsContact CZ-OD1 3.25Å; R344-D346 IonicContact CZ-OD2 3.05Å; R344-D346 IonicContact NE-OD1 3.11Å; R344-D346 PolarHBondContact NE-OD1 2.81Å; R344-D346 VanDerWaalsContact NH2-CG 3.28Å; R344-D346 IonicContact NH2-OD1 2.6Å; R344-D346 PolarHBondContact NH2-OD1 3.03Å; R344-D346 IonicContact NH2-OD2 3.39Å; R344-D346 PolarHBondContact NH2-OD2 2.89Å; D346-F434 HydrophobicContact CB-CD1 4.31Å; D346-F434 HydrophobicContact CB-CE1 3.8Å |
| 347 | R | 90.5 | Very high | 88.5 | Confident | 72 Ų | 72 | 29.8 Ų | 29.8 | 27% | 0.272 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 134.9 | 176.8 | -167.3 | 175.5 | -55.2 | 156.5 | 13.1 | 111.4 | K88 L280 Y281 L282 D433 F434 | K88-R347 HydrophobicContact CB-CG 4.14Å; K88-R347 CarbonylContact O-C 3.56Å; K88-R347 WeakPolarHBondContact O-CA 3.19Å; L280-R347 PolarHBondContact O-N 2.83Å; Y281-R347 WeakPolarHBondContact CA-O 3.38Å; Y281-R347 HydrophobicContact CD2-CB 3.93Å; Y281-R347 HydrophobicContact CD2-CG 3.97Å; Y281-R347 HydrophobicContact CE2-CG 4.15Å; L282-R347 PolarHBondContact N-O 2.91Å; R347-D433 IonicContact CZ-OD2 2.87Å; R347-D433 IonicContact NH1-OD2 3.7Å; R347-D433 IonicContact NH2-OD2 3.28Å; R347-D433 PolarHBondContact NH2-OD2 3.42Å; R347-F434 HydrophobicContact CB-CE1 3.76Å; R347-F434 HydrophobicContact CB-CZ 3.52Å; R347-F434 HydrophobicContact CG-CZ 4.32Å; R347-F434 VanDerWaalsContact CZ-CZ 3.45Å |
| 348 | V | 94.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.3 | 173.1 | 170 | 0 | 0 | 0 | 0 | 110.6 | K88 L89 I90 L100 L282 T310 F313 V345 I350 | K88-V348 PolarHBondContact O-N 3.2Å; L89-V348 WeakPolarHBondContact CA-O 3.25Å; L89-V348 HydrophobicContact CD1-CB 3.92Å; L89-V348 HydrophobicContact CD1-CG1 3.52Å; I90-V348 PolarHBondContact N-O 3.49Å; L100-V348 HydrophobicContact CD1-CB 4.36Å; L100-V348 HydrophobicContact CD1-CG2 4.14Å; L100-V348 HydrophobicContact CD2-CB 4.25Å; L100-V348 HydrophobicContact CD2-CG2 3.54Å; L100-V348 HydrophobicContact CG-CG2 4.48Å; L282-V348 HydrophobicContact CB-CG2 4.38Å; L282-V348 CarbonylContact O-C 3.21Å; L282-V348 VanDerWaalsContact O-CA 3.25Å; L282-V348 WeakPolarHBondContact O-CA 3.49Å; T310-V348 HydrophobicContact CG2-CG1 4.37Å; F313-V348 HydrophobicContact CD2-CG1 4.07Å; F313-V348 HydrophobicContact CD2-CG2 4.13Å; F313-V348 HydrophobicContact CE2-CG1 3.88Å; V345-V348 HydrophobicContact CG1-CG2 3.65Å; V348-I350 HydrophobicContact CG1-CD1 4.45Å; V348-I350 HydrophobicContact CG1-CG1 4.01Å |
| 349 | L | 94.2 | Very high | 86.3 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.4 | 168.8 | 174.3 | 60.3 | 0 | 0 | 0 | 110.6 | I90 Y281 L282 Q283 S284 | I90-L349 HydrophobicContact CB-CD1 3.79Å; I90-L349 HydrophobicContact CG2-CD1 3.6Å; I90-L349 CarbonylContact O-C 3.42Å; I90-L349 WeakPolarHBondContact O-CA 3.27Å; Y281-L349 VanDerWaalsContact OH-CD2 3.29Å; Y281-L349 WeakPolarHBondContact OH-CD2 3.3Å; L282-L349 PolarHBondContact O-N 2.76Å; Q283-L349 CarbonylContact C-O 3.56Å; Q283-L349 WeakPolarHBondContact CA-O 3.14Å; Q283-L349 HydrophobicContact CB-CB 4.37Å; Q283-L349 HydrophobicContact CG-CB 4.15Å; Q283-L349 HydrophobicContact CG-CD2 4.11Å; Q283-L349 HydrophobicContact CG-CG 4.13Å; S284-L349 PolarHBondContact N-O 3.38Å |
| 350 | I | 95.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 109.6 | 172.7 | -63.1 | 178.3 | 0 | 0 | 0 | 108.1 | L89 I90 V91 G92 S284 W289 V306 I309 T310 V348 V352 | L89-I350 HydrophobicContact CD1-CD1 4.17Å; L89-I350 HydrophobicContact CD1-CG1 4.4Å; I90-I350 PolarHBondContact O-N 2.91Å; V91-I350 WeakPolarHBondContact CA-O 3.02Å; V91-I350 HydrophobicContact CG1-CB 4.37Å; V91-I350 HydrophobicContact CG1-CG2 4.33Å; V91-I350 HydrophobicContact CG2-CB 4.29Å; V91-I350 HydrophobicContact CG2-CD1 4.46Å; G92-I350 PolarHBondContact N-O 2.03Å; S284-I350 WeakPolarHBondContact OG-CA 3.04Å; W289-I350 HydrophobicContact CE3-CG2 3.56Å; W289-I350 HydrophobicContact CZ3-CG2 3.95Å; V306-I350 HydrophobicContact CB-CD1 4.3Å; V306-I350 HydrophobicContact CG1-CD1 4.07Å; V306-I350 HydrophobicContact CG2-CD1 4.15Å; I309-I350 HydrophobicContact CB-CD1 3.98Å; I309-I350 HydrophobicContact CD1-CG2 3.89Å; I309-I350 HydrophobicContact CG2-CD1 3.87Å; I309-I350 HydrophobicContact CG2-CG1 3.94Å; T310-I350 HydrophobicContact CG2-CD1 4.38Å; V348-I350 HydrophobicContact CG1-CD1 4.45Å; V348-I350 HydrophobicContact CG1-CG1 4.01Å; I350-V352 HydrophobicContact CG2-CG2 4.41Å |
| 351 | N | 92.5 | Very high | 82.2 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | trans | -75 | 139.6 | 172.5 | -72.3 | 120.3 | 0 | 0 | 0 | 111.4 | Q283 S284 T286 W289 D356 | Q283-N351 PolarHBondContact NE2-OD1 3.41Å; S284-N351 WeakPolarHBondContact O-CB 2.95Å; S284-N351 PolarHBondContact O-N 3.06Å; S284-N351 PolarHBondContact O-OD1 2.91Å; T286-N351 HydrophobicContact CG2-CB 3.84Å; W289-N351 VanDerWaalsContact CB-O 3.27Å; W289-N351 WeakPolarHBondContact CB-O 3.3Å; N351-D356 WeakPolarHBondContact CA-OD2 3.28Å; N351-D356 VanDerWaalsContact CB-OD2 3.31Å; N351-D356 WeakPolarHBondContact CB-OD2 3.49Å; N351-D356 PolarHBondContact ND2-OD2 2.86Å | ||
| 352 | V | 92.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -125.6 | 120.9 | -175.1 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | V91 W289 I350 E354 H355 D356 | V91-V352 HydrophobicContact CG1-CG2 3.74Å; W289-V352 HydrophobicContact CD2-CB 4.48Å; W289-V352 HydrophobicContact CD2-CG1 4.43Å; W289-V352 HydrophobicContact CD2-CG2 3.94Å; W289-V352 HydrophobicContact CE3-CG2 3.98Å; W289-V352 HydrophobicContact CH2-CG2 4.2Å; W289-V352 HydrophobicContact CZ2-CG1 4.03Å; W289-V352 HydrophobicContact CZ2-CG2 4.16Å; W289-V352 HydrophobicContact CZ3-CG2 4.11Å; I350-V352 HydrophobicContact CG2-CG2 4.41Å; V352-E354 HydrophobicContact CG1-CG 4.12Å; V352-E354 PolarHBondContact O-N 3.4Å; V352-H355 HydrophobicContact CB-CB 4.39Å; V352-H355 PolarHBondContact O-N 2.96Å; V352-D356 PolarHBondContact N-OD2 2.83Å; V352-D356 PolarHBondContact O-N 3.06Å | ||
| 353 | T | 90.7 | Very high | 76.7 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.1 | -46.9 | -169.6 | -44.7 | 0 | 0 | 0 | 0 | 113.6 | T286 D290 H355 C357 | T286-T353 WeakPolarHBondContact CB-OG1 3.46Å; D290-T353 WeakPolarHBondContact OD1-CB 3.22Å; D290-T353 PolarHBondContact OD1-OG1 3.18Å; D290-T353 PolarHBondContact OD2-OG1 3.04Å; T353-H355 PolarHBondContact O-N 2.86Å; T353-C357 HydrophobicContact CG2-CB 4.19Å; T353-C357 CarbonylContact O-C 3.5Å; T353-C357 WeakPolarHBondContact O-CA 3.45Å; T353-C357 WeakPolarHBondContact O-CB 3.47Å; T353-C357 PolarHBondContact O-N 3.01Å |
| 354 | E | 86.3 | Confident | 74 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.9 | -2.8 | -178.1 | 84.1 | -153.7 | -166.2 | 0 | 0 | 114.5 | R302 V352 R358 | R302-E354 IonicContact CZ-OE1 3.19Å; R302-E354 IonicContact NH1-OE1 2.84Å; R302-E354 PolarHBondContact NH1-OE1 3.23Å; R302-E354 IonicContact NH1-OE2 2.69Å; R302-E354 IonicContact NH2-OE1 3.71Å; V352-E354 HydrophobicContact CG1-CG 4.12Å; V352-E354 PolarHBondContact O-N 3.4Å; E354-R358 PolarHBondContact O-NE 3.38Å; E354-R358 PolarHBondContact O-NH2 2.88Å; E354-R358 VanDerWaalsContact O-NH2 3.08Å |
| 355 | H | 84.5 | Confident | 71.5 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -112.4 | -53.5 | 178 | -64.4 | -1.4 | 0 | 0 | 0 | 110.1 | R302 V352 T353 | R302-H355 PolarHBondContact NH2-NE2 2.03Å; V352-H355 HydrophobicContact CB-CB 4.39Å; V352-H355 PolarHBondContact O-N 2.96Å; T353-H355 PolarHBondContact O-N 2.86Å |
| 356 | D | 86.2 | Confident | 68.9 | Low | 34 Ų | 34 | 93.8 Ų | 93.8 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -90.5 | -24.9 | -171.4 | -52.6 | -33.9 | 0 | 0 | 0 | 113 | N351 V352 N410 | N351-D356 WeakPolarHBondContact CA-OD2 3.28Å; N351-D356 VanDerWaalsContact CB-OD2 3.31Å; N351-D356 WeakPolarHBondContact CB-OD2 3.49Å; N351-D356 PolarHBondContact ND2-OD2 2.86Å; V352-D356 PolarHBondContact N-OD2 2.83Å; V352-D356 PolarHBondContact O-N 3.06Å; D356-N410 HydrophobicContact CB-CB 4.46Å; D356-N410 WeakPolarHBondContact O-CB 3.28Å |
| 357 | C | 84 | Confident | 66.4 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 22% | 0.223 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -111.6 | 52.8 | 179.6 | -60 | 0 | 0 | 0 | 0 | 112.3 | T286 T353 C413 | T286-C357 VanDerWaalsContact CG2-SG 3.57Å; T353-C357 HydrophobicContact CG2-CB 4.19Å; T353-C357 CarbonylContact O-C 3.5Å; T353-C357 WeakPolarHBondContact O-CA 3.45Å; T353-C357 WeakPolarHBondContact O-CB 3.47Å; T353-C357 PolarHBondContact O-N 3.01Å; C357-C413 WeakPolarHBondContact CA-SG 3.49Å; C357-C413 HydrophobicContact CB-CB 3.8Å; C357-C413 WeakPolarHBondContact CB-SG 3.49Å; C357-C413 VanDerWaalsContact SG-CA 3.55Å; C357-C413 WeakPolarHBondContact SG-CB 3.49Å; C357-C413 CovalentContact SG-SG 2.03Å; C357-C413 PolarHBondContact SG-SG 2.82Å |
| 358 | R | 67.7 | Low | 63.7 | Low | 166 Ų | 166 | 105.5 Ų | 105.5 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | trans | -84.8 | 113.5 | 174.9 | -73 | -170.5 | 172.9 | -147.2 | -8.3 | 112.1 | E354 R360 | E354-R358 PolarHBondContact O-NE 3.38Å; E354-R358 PolarHBondContact O-NH2 2.88Å; E354-R358 VanDerWaalsContact O-NH2 3.08Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 2.85Å | ||
| 359 | N | 54.3 | Low | 60.8 | Low | 157 Ų | 157 | 112.8 Ų | 112.8 | 84% | 0.84 | 52% | 0.523 | S | S | * | . | trans | -56.1 | 97.7 | 153.7 | -77.4 | -28.9 | 0 | 0 | 0 | 109.1 | L361 | N359-L361 PolarHBondContact O-N 3.02Š| ||
| 360 | R | 42.5 | Very low | 57.9 | Low | 162 Ų | 162 | 122.9 Ų | 122.9 | 61% | 0.611 | 56% | 0.559 | S | S | * | * | trans | -68.8 | 100.2 | 165.1 | -75.7 | -166.2 | -171.5 | 159.5 | 16.2 | 107.8 | R358 W362 D408 | R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 2.85Å; R360-W362 PolarHBondContact O-N 3.47Å; R360-D408 IonicContact CZ-OD1 2.66Å; R360-D408 IonicContact CZ-OD2 2.9Å; R360-D408 IonicContact NH1-OD1 3.15Å; R360-D408 PolarHBondContact NH1-OD1 3.45Å; R360-D408 VanDerWaalsContact NH1-OD1 3.15Å; R360-D408 IonicContact NH1-OD2 2.65Å; R360-D408 PolarHBondContact NH1-OD2 2.02Å; R360-D408 IonicContact NH2-OD1 3.86Å; R360-D408 PolarHBondContact NH2-OD1 2.96Å; R360-D408 IonicContact NH2-OD2 2.89Å | ||
| 361 | L | 37.4 | Very low | 54.9 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | trans | -45.8 | 114.7 | 165.1 | -105.5 | 146.6 | 0 | 0 | 0 | 108.6 | N359 K363 | N359-L361 PolarHBondContact O-N 3.02Å; L361-K363 PolarHBondContact O-N 2.83Å | ||
| 362 | W | 30 | Very low | 52 | Low | 228 Ų | 228 | 135.9 Ų | 135.9 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -65.3 | 92.2 | -171 | -132.6 | 85.1 | 0 | 0 | 0 | 109.3 | R360 P364 | R360-W362 PolarHBondContact O-N 3.47Å; W362-P364 HydrophobicContact CE3-CB 4.34Å; W362-P364 HydrophobicContact CZ3-CB 4.31Å; W362-P364 WeakPolarHBondContact O-CD 3.44Å | ||
| 363 | K | 28.9 | Very low | 49.2 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.835 | 66% | 0.658 | S | S | * | * | trans | -76.5 | 107.2 | 165.4 | -77 | -166.1 | 174.8 | -172.4 | 0 | 107 | L361 K365 | L361-K363 PolarHBondContact O-N 2.83Å; K363-K365 PolarHBondContact O-N 3.45Å | ||
| 364 | P | 33.8 | Very low | 46.4 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 49% | 0.487 | 69% | 0.687 | S | S | . | * | trans | -62.5 | 132.6 | 178.5 | 27.1 | -34.3 | 0 | 0 | 0 | 109.4 | W362 Y366 | W362-P364 HydrophobicContact CE3-CB 4.34Å; W362-P364 HydrophobicContact CZ3-CB 4.31Å; W362-P364 WeakPolarHBondContact O-CD 3.44Å; P364-Y366 PolarHBondContact O-N 3.32Å | ||
| 365 | K | 36.2 | Very low | 43.9 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -73.9 | 51.5 | 170.7 | -79.5 | -174.1 | 169.6 | -179.5 | 0 | 111.6 | K363 | K363-K365 PolarHBondContact O-N 3.45Š|
| 366 | Y | 35.8 | Very low | 41.4 | Very low | 213 Ų | 213 | 153 Ų | 153 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -145.3 | 48.1 | 178.7 | -77.8 | -69.4 | 0 | 0 | 0 | 110.7 | P364 | P364-Y366 PolarHBondContact O-N 3.32Š| ||
| 367 | L | 37.1 | Very low | 39.1 | Very low | 162 Ų | 162 | 156.6 Ų | 156.6 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -151.7 | 38.4 | 169.4 | -112.7 | 167.1 | 0 | 0 | 0 | 111.9 | ||||
| 368 | Q | 32.8 | Very low | 36.6 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -113 | 153.7 | 152.9 | -68.2 | 178.8 | -79.9 | 0 | 0 | 106.6 | ||
| 369 | D | 33 | Very low | 35.1 | Very low | 155 Ų | 155 | 158.1 Ų | 158.1 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 61.3 | 75.7 | -177.2 | -54.2 | -22.6 | 0 | 0 | 0 | 116.9 | ||||
| 370 | R | 34.1 | Very low | 34.2 | Very low | 238 Ų | 238 | 158.6 Ų | 158.6 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -166.1 | 106.1 | 133 | -106.9 | 161.1 | -164.7 | -147 | 1.7 | 115.2 | ||||
| 371 | N | 32.2 | Very low | 33.9 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 43.3 | 123.5 | 138 | -61.5 | 8.3 | 0 | 0 | 0 | 122.3 | ||||
| 372 | N | 32 | Very low | 33.8 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 75.8 | 114.5 | 132.5 | -75.3 | 6.8 | 0 | 0 | 0 | 122.3 | ||||
| 373 | S | 34.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 156.2 Ų | 156.2 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | 94.3 | 143.3 | 119.2 | 70.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 374 | Y | 32.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 152.3 Ų | 152.3 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | 69.7 | 128.7 | 175.7 | -53.1 | -80.5 | 0 | 0 | 0 | 115.9 | ||||
| 375 | I | 33.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | cis | -144.4 | 135.6 | -6.8 | -97.6 | 159.2 | 0 | 0 | 0 | 109.8 | ||||
| 376 | S | 31.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 151 Ų | 151 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 18.6 | 163.6 | 139.6 | -86.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 377 | P | 37.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -125.7 | -163.9 | -134.6 | 46 | -34.3 | 0 | 0 | 0 | 114.4 | ||||
| 378 | T | 31.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | 178.9 | 160.2 | 120.5 | -71.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 379 | A | 37.1 | Very low | 34.3 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 83.4 | 103.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 380 | L | 35 | Very low | 34.3 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -127.7 | -176.5 | 157.9 | -97.6 | 170.9 | 0 | 0 | 0 | 105.8 | ||||
| 381 | P | 37.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -151.5 | 172.9 | 24.3 | 44.5 | -23.9 | 0 | 0 | 0 | 120.3 | ||||
| 382 | R | 33.7 | Very low | 34.1 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 59.1 | 162.7 | 146.4 | -79.3 | 178.8 | 169.5 | 153 | -2.4 | 119.3 | ||||
| 383 | E | 36.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | cis | -122.4 | 150.3 | 13.4 | -70.4 | -179.6 | 164.7 | 0 | 0 | 111.2 | ||||
| 384 | T | 33.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | 62.7 | 142.3 | 67.1 | 27.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 385 | I | 37.6 | Very low | 34 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | cis | -133.2 | -96.7 | 15.7 | -163.9 | 160.2 | 0 | 0 | 0 | 118.8 | ||||
| 386 | S | 33.5 | Very low | 33.9 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | -159.9 | 150.1 | -157.8 | -176.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 387 | D | 36.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | 170.7 | 152.7 | 114.9 | -93.3 | 2.2 | 0 | 0 | 0 | 117.3 | |||||
| 388 | H | 36.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 40.5 | 123.3 | 165.8 | -57.3 | 121.5 | 0 | 0 | 0 | 121 | ||||
| 389 | L | 31.6 | Very low | 33.2 | Very low | 125 Ų | 125 | 148 Ų | 148 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | cis | 83.6 | 104.8 | 24.3 | -151.7 | -179.2 | 0 | 0 | 0 | 115.7 | L391 | L389-L391 HydrophobicContact CD2-CD1 3.74Š| ||
| 390 | F | 34 | Very low | 32.8 | Very low | 213 Ų | 213 | 152.2 Ų | 152.2 | 93% | 0.934 | 79% | 0.789 | S | S | * | * | trans | -153.8 | 153.9 | 145.2 | -98.6 | -66.4 | 0 | 0 | 0 | 111.5 | ||||
| 391 | L | 29.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -101.7 | 160.2 | -173.3 | -82.6 | 73.1 | 0 | 0 | 0 | 112.7 | L389 | L389-L391 HydrophobicContact CD2-CD1 3.74Š| ||
| 392 | H | 33.3 | Very low | 32 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | -151 | 140.2 | 123 | -110.2 | -70.4 | 0 | 0 | 0 | 112.5 | |||||
| 393 | Q | 31.8 | Very low | 31.6 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -136.8 | 141.3 | 172.7 | -145.1 | -176.7 | 16.3 | 0 | 0 | 107.7 | ||||
| 394 | P | 33.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | -148.4 | 176 | 119.2 | 37.6 | -21.7 | 0 | 0 | 0 | 112.1 | |||||
| 395 | S | 29.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -164.3 | 161.6 | -27.5 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 396 | N | 31.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 144.6 | -178.4 | -64.3 | -40.6 | 0 | 0 | 0 | 114.4 | ||||
| 397 | T | 27.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | -166.4 | 152.4 | 118.9 | 27.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 398 | D | 26.9 | Very low | 31.8 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 52.1 | 74.4 | 149.3 | -58.6 | -6.4 | 0 | 0 | 0 | 122.3 | ||||
| 399 | H | 32.9 | Very low | 33.2 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | -127.5 | 86.5 | 151 | -82.3 | -8.3 | 0 | 0 | 0 | 112 | ||||
| 400 | L | 27.5 | Very low | 35.6 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 96% | 0.963 | 74% | 0.74 | S | S | * | * | trans | -94.5 | 113.3 | 174.8 | -158.9 | 88.1 | 0 | 0 | 0 | 110.9 | ||||
| 401 | G | 25.6 | Very low | 38 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | 103.9 | 80 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 402 | F | 31.1 | Very low | 40.9 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | trans | -136.8 | 115.1 | 138.3 | -142.8 | -97.5 | 0 | 0 | 0 | 109.5 | ||||
| 403 | S | 25.1 | Very low | 43.6 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 92% | 0.923 | 65% | 0.648 | S | S | * | * | trans | -124.7 | 101 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 404 | G | 28.3 | Very low | 46.3 | Very low | 35 Ų | 35 | 107.9 Ų | 107.9 | 36% | 0.361 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -165.6 | 148.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y406 | G404-Y406 PolarHBondContact O-N 2.96Š|
| 405 | A | 30.2 | Very low | 48.6 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 84% | 0.843 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 29.6 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 406 | Y | 38.2 | Very low | 51.1 | Low | 188 Ų | 188 | 108.4 Ų | 108.4 | 74% | 0.737 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 6.9 | -175 | -64.3 | -73.5 | 0 | 0 | 0 | 114.3 | G404 D408 | G404-Y406 PolarHBondContact O-N 2.96Å; Y406-D408 PolarHBondContact O-N 3.32Å |
| 407 | T | 38 | Very low | 53.6 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 10.3 | -170.3 | 56.4 | 0 | 0 | 0 | 0 | 116 | ||
| 408 | D | 46.8 | Very low | 56.2 | Low | 103 Ų | 103 | 97.4 Ų | 97.4 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 3.8 | -172.8 | -140.8 | 1.6 | 0 | 0 | 0 | 113.4 | R360 Y406 | R360-D408 IonicContact CZ-OD1 2.66Å; R360-D408 IonicContact CZ-OD2 2.9Å; R360-D408 IonicContact NH1-OD1 3.15Å; R360-D408 PolarHBondContact NH1-OD1 3.45Å; R360-D408 VanDerWaalsContact NH1-OD1 3.15Å; R360-D408 IonicContact NH1-OD2 2.65Å; R360-D408 PolarHBondContact NH1-OD2 2.02Å; R360-D408 IonicContact NH2-OD1 3.86Å; R360-D408 PolarHBondContact NH2-OD1 2.96Å; R360-D408 IonicContact NH2-OD2 2.89Å; Y406-D408 PolarHBondContact O-N 3.32Å |
| 409 | E | 65.5 | Low | 58.9 | Low | 137 Ų | 137 | 90.7 Ų | 90.7 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -139.6 | 139.7 | -179.1 | -66.1 | -171.8 | 172.7 | 0 | 0 | 111.2 | ||
| 410 | N | 80.5 | Confident | 61.2 | Low | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.171 | 48% | 0.478 | C | S | . | . | trans | -75.2 | 119.9 | 177.2 | 172 | 4.9 | 0 | 0 | 0 | 110.6 | D356 F412 C413 | D356-N410 HydrophobicContact CB-CB 4.46Å; D356-N410 WeakPolarHBondContact O-CB 3.28Å; N410-F412 PolarHBondContact O-N 2.78Å; N410-F412 WeakPolarHBondContact OD1-CB 3.45Å; N410-F412 VanDerWaalsContact OD1-CD2 3.28Å; N410-F412 WeakPolarHBondContact OD1-CD2 3.35Å; N410-F412 PolarHBondContact OD1-N 2.77Å; N410-C413 VanDerWaalsContact O-CB 3.32Å; N410-C413 WeakPolarHBondContact O-CB 3.36Å; N410-C413 PolarHBondContact O-N 2.8Å; N410-C413 VanDerWaalsContact O-N 3.13Å; N410-C413 PolarHBondContact O-SG 3.09Å | ||
| 411 | P | 85.8 | Confident | 64.1 | Low | 49 Ų | 49 | 76 Ų | 76 | 32% | 0.318 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -67.2 | -22.9 | -175.5 | 29 | -36.7 | 0 | 0 | 0 | 113.5 | C413 A414 L425 | P411-C413 PolarHBondContact O-N 3.29Å; P411-A414 PolarHBondContact O-N 3.23Å; P411-L425 HydrophobicContact CB-CD1 4.11Å; P411-L425 HydrophobicContact CB-CD2 3.72Å; P411-L425 HydrophobicContact CB-CG 4.48Å; P411-L425 HydrophobicContact CG-CD2 4.06Å |
| 412 | F | 90.2 | Very high | 67.3 | Low | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.035 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -72.4 | -0.4 | 175.9 | -56.7 | -68 | 0 | 0 | 0 | 113.6 | N410 Y422 L425 H426 I439 R443 | N410-F412 PolarHBondContact O-N 2.78Å; N410-F412 WeakPolarHBondContact OD1-CB 3.45Å; N410-F412 VanDerWaalsContact OD1-CD2 3.28Å; N410-F412 WeakPolarHBondContact OD1-CD2 3.35Å; N410-F412 PolarHBondContact OD1-N 2.77Å; F412-Y422 HydrophobicContact CD1-CD2 4.1Å; F412-Y422 AromaticContact CD1-CE2 3.66Å; F412-Y422 HydrophobicContact CD1-CE2 3.66Å; F412-Y422 AromaticContact CD1-CZ 3.98Å; F412-Y422 HydrophobicContact CE1-CE2 4.33Å; F412-L425 HydrophobicContact CE1-CB 3.74Å; F412-L425 HydrophobicContact CZ-CB 4.03Å; F412-H426 HydrophobicContact CE1-CB 4.44Å; F412-H426 HydrophobicContact CZ-CB 4.14Å; F412-I439 HydrophobicContact CD1-CD1 4.12Å; F412-I439 HydrophobicContact CD2-CD1 4.45Å; F412-I439 HydrophobicContact CE1-CD1 4Å; F412-I439 HydrophobicContact CE2-CD1 4.36Å; F412-I439 HydrophobicContact CG-CD1 4.34Å; F412-I439 HydrophobicContact CZ-CD1 4.13Å; F412-R443 PolarHBondContact O-NH2 2.83Å |
| 413 | C | 89.7 | Confident | 70.2 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -77.6 | -21.5 | 174.6 | -62 | 0 | 0 | 0 | 0 | 113.8 | C357 N410 P411 | C357-C413 WeakPolarHBondContact CA-SG 3.49Å; C357-C413 HydrophobicContact CB-CB 3.8Å; C357-C413 WeakPolarHBondContact CB-SG 3.49Å; C357-C413 VanDerWaalsContact SG-CA 3.55Å; C357-C413 WeakPolarHBondContact SG-CB 3.49Å; C357-C413 CovalentContact SG-SG 2.03Å; C357-C413 PolarHBondContact SG-SG 2.82Å; N410-C413 VanDerWaalsContact O-CB 3.32Å; N410-C413 WeakPolarHBondContact O-CB 3.36Å; N410-C413 PolarHBondContact O-N 2.8Å; N410-C413 VanDerWaalsContact O-N 3.13Å; N410-C413 PolarHBondContact O-SG 3.09Å; P411-C413 PolarHBondContact O-N 3.29Å |
| 414 | A | 87 | Confident | 73.3 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | trans | -65.3 | 138.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P411 I417 R443 | P411-A414 PolarHBondContact O-N 3.23Å; A414-I417 HydrophobicContact CB-CD1 4.04Å; A414-I417 HydrophobicContact CB-CG1 3.89Å; A414-I417 WeakPolarHBondContact O-CD1 3.12Å; A414-I417 WeakPolarHBondContact O-CG1 3.24Å; A414-R443 PolarHBondContact O-NH1 2.71Å; A414-R443 PolarHBondContact O-NH2 2.83Å | ||
| 415 | P | 82.4 | Confident | 76.3 | Confident | 83 Ų | 83 | 59 Ų | 59 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -73.1 | -45 | -175.6 | 26.9 | -33.3 | 0 | 0 | 0 | 112.6 | Y287 I417 R443 | Y287-P415 WeakPolarHBondContact OH-CA 3.43Å; Y287-P415 WeakPolarHBondContact OH-CB 3.39Å; P415-I417 PolarHBondContact O-N 2.92Å; P415-R443 PolarHBondContact O-NH1 2.76Å |
| 416 | N | 81.9 | Confident | 79.3 | Confident | 158 Ų | 158 | 54.2 Ų | 54.2 | 85% | 0.845 | 29% | 0.293 | S | S | * | . | trans | -104.7 | 71.2 | -168.5 | -59.2 | -8.6 | 0 | 0 | 0 | 110.7 | ||||
| 417 | I | 84.9 | Confident | 81.9 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | trans | -101.4 | 121.9 | 176.8 | -48.9 | 174 | 0 | 0 | 0 | 108.5 | A414 P415 N421 Y422 L425 | A414-I417 HydrophobicContact CB-CD1 4.04Å; A414-I417 HydrophobicContact CB-CG1 3.89Å; A414-I417 WeakPolarHBondContact O-CD1 3.12Å; A414-I417 WeakPolarHBondContact O-CG1 3.24Å; P415-I417 PolarHBondContact O-N 2.92Å; I417-N421 HydrophobicContact CG2-CB 4.08Å; I417-Y422 HydrophobicContact CB-CD2 4.19Å; I417-Y422 HydrophobicContact CD1-CD2 4Å; I417-Y422 HydrophobicContact CD1-CE2 4.38Å; I417-Y422 HydrophobicContact CG2-CD2 4.04Å; I417-Y422 HydrophobicContact CG2-CG 4.48Å; I417-L425 HydrophobicContact CD1-CD1 4.35Å; I417-L425 HydrophobicContact CG2-CD1 4.16Å | ||
| 418 | D | 81.1 | Confident | 84.4 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | trans | -61.5 | 144.7 | 170.5 | 173.9 | 85.3 | 0 | 0 | 0 | 110.7 | S201 T420 N421 Y422 | S201-D418 PolarHBondContact OG-OD1 3.15Å; D418-T420 PolarHBondContact O-N 2.82Å; D418-T420 VanDerWaalsContact O-N 3.09Å; D418-T420 WeakPolarHBondContact OD2-CA 3.39Å; D418-T420 WeakPolarHBondContact OD2-CB 2.91Å; D418-T420 PolarHBondContact OD2-N 3.08Å; D418-T420 PolarHBondContact OD2-OG1 3.45Å; D418-N421 PolarHBondContact O-N 3.09Å; D418-Y422 PolarHBondContact O-N 3.29Å | ||
| 419 | V | 84.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49 | -38.1 | -178.4 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | Y422 L423 F445 T449 L452 I486 | V419-Y422 PolarHBondContact O-N 3.47Å; V419-L423 PolarHBondContact O-N 2.81Å; V419-L423 VanDerWaalsContact O-N 3.16Å; V419-F445 HydrophobicContact CB-CB 4.07Å; V419-F445 HydrophobicContact CB-CD1 3.81Å; V419-F445 HydrophobicContact CB-CD2 4.34Å; V419-F445 HydrophobicContact CB-CE1 4.29Å; V419-F445 HydrophobicContact CB-CG 3.84Å; V419-F445 HydrophobicContact CG2-CB 4.28Å; V419-F445 HydrophobicContact CG2-CD1 4.2Å; V419-F445 HydrophobicContact CG2-CD2 3.86Å; V419-F445 HydrophobicContact CG2-CE2 4.19Å; V419-F445 HydrophobicContact CG2-CG 3.87Å; V419-F445 HydrophobicContact CG2-CZ 4.5Å; V419-T449 HydrophobicContact CG1-CG2 4.47Å; V419-T449 HydrophobicContact CG2-CG2 3.84Å; V419-L452 HydrophobicContact CG2-CB 4.15Å; V419-L452 HydrophobicContact CG2-CD2 4.3Å; V419-I486 HydrophobicContact CG2-CD1 3.71Å; V419-I486 WeakPolarHBondContact O-CD1 3.24Å |
| 420 | T | 82 | Confident | 87.5 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.8 | -42.7 | 179.7 | -25.9 | 0 | 0 | 0 | 0 | 111.9 | L200 I205 M209 D418 Y422 L423 N424 L452 | L200-T420 HydrophobicContact CD2-CG2 3.36Å; I205-T420 HydrophobicContact CB-CG2 4.48Å; I205-T420 HydrophobicContact CG2-CG2 3.51Å; M209-T420 HydrophobicContact SD-CG2 3.98Å; D418-T420 PolarHBondContact O-N 2.82Å; D418-T420 VanDerWaalsContact O-N 3.09Å; D418-T420 WeakPolarHBondContact OD2-CA 3.39Å; D418-T420 WeakPolarHBondContact OD2-CB 2.91Å; D418-T420 PolarHBondContact OD2-N 3.08Å; D418-T420 PolarHBondContact OD2-OG1 3.45Å; T420-Y422 PolarHBondContact O-N 3.44Å; T420-L423 PolarHBondContact O-N 3.35Å; T420-N424 WeakPolarHBondContact O-CB 3.32Å; T420-N424 PolarHBondContact O-N 3.17Å; T420-L452 HydrophobicContact CG2-CD2 4.27Å |
| 421 | N | 87.8 | Confident | 88 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.9 | -29.9 | 176 | -168.4 | 52.7 | 0 | 0 | 0 | 111.2 | I417 D418 N424 L425 | I417-N421 HydrophobicContact CG2-CB 4.08Å; D418-N421 PolarHBondContact O-N 3.09Å; N421-N424 PolarHBondContact O-N 2.79Å; N421-L425 WeakPolarHBondContact O-CB 3.19Å; N421-L425 VanDerWaalsContact O-CG 3.22Å; N421-L425 WeakPolarHBondContact O-CG 3.36Å; N421-L425 PolarHBondContact O-N 2.88Å |
| 422 | Y | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -47.2 | 175 | -164 | -92.8 | 0 | 0 | 0 | 111.9 | D285 F412 I417 D418 V419 T420 N424 L425 H426 I439 T441 F445 I486 | D285-Y422 WeakPolarHBondContact CB-OH 3.44Å; D285-Y422 VanDerWaalsContact CG-OH 3.29Å; D285-Y422 PolarHBondContact OD2-OH 3.44Å; F412-Y422 HydrophobicContact CD1-CD2 4.1Å; F412-Y422 AromaticContact CD1-CE2 3.66Å; F412-Y422 HydrophobicContact CD1-CE2 3.66Å; F412-Y422 AromaticContact CD1-CZ 3.98Å; F412-Y422 HydrophobicContact CE1-CE2 4.33Å; I417-Y422 HydrophobicContact CB-CD2 4.19Å; I417-Y422 HydrophobicContact CD1-CD2 4Å; I417-Y422 HydrophobicContact CD1-CE2 4.38Å; I417-Y422 HydrophobicContact CG2-CD2 4.04Å; I417-Y422 HydrophobicContact CG2-CG 4.48Å; D418-Y422 PolarHBondContact O-N 3.29Å; V419-Y422 PolarHBondContact O-N 3.47Å; T420-Y422 PolarHBondContact O-N 3.44Å; Y422-N424 VanDerWaalsContact C-N 3.32Å; Y422-N424 PolarHBondContact O-N 3.45Å; Y422-L425 PolarHBondContact O-N 2.89Å; Y422-H426 PolarHBondContact O-N 2.76Å; Y422-H426 VanDerWaalsContact O-N 3.14Å; Y422-I439 HydrophobicContact CD1-CG2 4.4Å; Y422-I439 HydrophobicContact CE1-CD1 4.11Å; Y422-I439 HydrophobicContact CE1-CG1 4.21Å; Y422-I439 HydrophobicContact CE1-CG2 3.81Å; Y422-I439 WeakPolarHBondContact OH-CD1 3.25Å; Y422-T441 HydrophobicContact CE1-CG2 4.24Å; Y422-F445 AromaticContact CD1-CZ 3.9Å; Y422-F445 HydrophobicContact CD1-CZ 3.9Å; Y422-F445 HydrophobicContact CD2-CE1 4.49Å; Y422-F445 HydrophobicContact CD2-CZ 4.4Å; Y422-F445 HydrophobicContact CE1-CZ 4.34Å; Y422-F445 HydrophobicContact CG-CE1 4.19Å; Y422-F445 AromaticContact CG-CZ 3.93Å; Y422-F445 HydrophobicContact CG-CZ 3.93Å; Y422-I486 HydrophobicContact CD1-CB 4.32Å; Y422-I486 HydrophobicContact CD1-CD1 3.8Å; Y422-I486 HydrophobicContact CD1-CG2 4.07Å; Y422-I486 HydrophobicContact CE1-CG2 4.48Å |
| 423 | L | 92.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 170 | 175.4 | 61.3 | 0 | 0 | 0 | 111.9 | V419 T420 H426 S427 L452 W454 I486 | V419-L423 PolarHBondContact O-N 2.81Å; V419-L423 VanDerWaalsContact O-N 3.16Å; T420-L423 PolarHBondContact O-N 3.35Å; L423-H426 WeakPolarHBondContact O-CB 3.47Å; L423-H426 PolarHBondContact O-N 2.88Å; L423-S427 WeakPolarHBondContact O-CB 3.5Å; L423-S427 PolarHBondContact O-N 3.41Å; L423-S427 PolarHBondContact O-OG 3.08Å; L423-L452 HydrophobicContact CB-CD2 4.3Å; L423-L452 HydrophobicContact CD2-CB 4.49Å; L423-L452 HydrophobicContact CD2-CD2 3.88Å; L423-L452 HydrophobicContact CD2-CG 3.87Å; L423-W454 HydrophobicContact CD2-CG 4.44Å; L423-I486 HydrophobicContact CB-CD1 4.38Å; L423-I486 HydrophobicContact CB-CG2 3.98Å; L423-I486 HydrophobicContact CD1-CG2 3.89Å |
| 424 | N | 90.5 | Very high | 88.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 179.5 | -157.1 | 32.5 | 0 | 0 | 0 | 112.1 | T420 N421 Y422 H426 S427 Y428 E473 K480 | T420-N424 WeakPolarHBondContact O-CB 3.32Å; T420-N424 PolarHBondContact O-N 3.17Å; N421-N424 PolarHBondContact O-N 2.79Å; Y422-N424 VanDerWaalsContact C-N 3.32Å; Y422-N424 PolarHBondContact O-N 3.45Å; N424-H426 VanDerWaalsContact C-N 3.34Å; N424-H426 PolarHBondContact O-N 3.26Å; N424-S427 WeakPolarHBondContact O-CB 3.08Å; N424-S427 PolarHBondContact O-N 2.83Å; N424-S427 VanDerWaalsContact O-N 3.13Å; N424-Y428 PolarHBondContact ND2-OH 3.31Å; N424-Y428 WeakPolarHBondContact O-CD2 3.44Å; N424-Y428 PolarHBondContact O-N 3.43Å; N424-E473 PolarHBondContact ND2-OE1 2.87Å; N424-K480 WeakPolarHBondContact OD1-CE 3.24Å; N424-K480 PolarHBondContact OD1-NZ 3.39Å |
| 425 | L | 91.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.5 | -76.7 | 170.1 | 0 | 0 | 0 | 112.2 | P411 F412 I417 N421 Y422 S427 Y428 | P411-L425 HydrophobicContact CB-CD1 4.11Å; P411-L425 HydrophobicContact CB-CD2 3.72Å; P411-L425 HydrophobicContact CB-CG 4.48Å; P411-L425 HydrophobicContact CG-CD2 4.06Å; F412-L425 HydrophobicContact CE1-CB 3.74Å; F412-L425 HydrophobicContact CZ-CB 4.03Å; I417-L425 HydrophobicContact CD1-CD1 4.35Å; I417-L425 HydrophobicContact CG2-CD1 4.16Å; N421-L425 WeakPolarHBondContact O-CB 3.19Å; N421-L425 VanDerWaalsContact O-CG 3.22Å; N421-L425 WeakPolarHBondContact O-CG 3.36Å; N421-L425 PolarHBondContact O-N 2.88Å; Y422-L425 PolarHBondContact O-N 2.89Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-Y428 HydrophobicContact CD2-CD2 4.21Å; L425-Y428 HydrophobicContact CD2-CE2 4.18Å; L425-Y428 PolarHBondContact O-N 3.04Å |
| 426 | H | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 172.9 | -171.5 | 53.2 | 0 | 0 | 0 | 111.6 | F412 Y422 L423 N424 Y428 N429 Y431 A437 I439 | F412-H426 HydrophobicContact CE1-CB 4.44Å; F412-H426 HydrophobicContact CZ-CB 4.14Å; Y422-H426 PolarHBondContact O-N 2.76Å; Y422-H426 VanDerWaalsContact O-N 3.14Å; L423-H426 WeakPolarHBondContact O-CB 3.47Å; L423-H426 PolarHBondContact O-N 2.88Å; N424-H426 VanDerWaalsContact C-N 3.34Å; N424-H426 PolarHBondContact O-N 3.26Å; H426-Y428 VanDerWaalsContact C-N 3.28Å; H426-Y428 PolarHBondContact O-N 2.95Å; H426-N429 PolarHBondContact O-N 2.77Å; H426-N429 PolarHBondContact O-ND2 2.97Å; H426-Y431 AromaticContact CE1-CE2 3.88Å; H426-Y431 AromaticContact CE1-CZ 3.71Å; H426-Y431 PolarHBondContact CE1-OH 3.33Å; H426-Y431 PolarHBondContact ND1-OH 3.27Å; H426-Y431 WeakPolarHBondContact O-CE2 3.22Å; H426-A437 PolarHBondContact NE2-O 3.48Å; H426-I439 HydrophobicContact CB-CG2 4Å |
| 427 | S | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.4 | -18.7 | -179.6 | -53.7 | 0 | 0 | 0 | 0 | 114.5 | L423 N424 L425 N429 W454 K480 S481 T484 | L423-S427 WeakPolarHBondContact O-CB 3.5Å; L423-S427 PolarHBondContact O-N 3.41Å; L423-S427 PolarHBondContact O-OG 3.08Å; N424-S427 WeakPolarHBondContact O-CB 3.08Å; N424-S427 PolarHBondContact O-N 2.83Å; N424-S427 VanDerWaalsContact O-N 3.13Å; L425-S427 VanDerWaalsContact C-N 3.33Å; S427-N429 PolarHBondContact O-N 2.91Å; S427-W454 PolarHBondContact OG-NE1 2.84Å; S427-K480 CarbonylContact O-C 3.45Å; S427-K480 WeakPolarHBondContact O-CA 3.23Å; S427-S481 WeakPolarHBondContact CB-O 2.97Å; S427-S481 PolarHBondContact O-N 3.43Å; S427-T484 PolarHBondContact OG-OG1 2.93Å; S427-T484 VanDerWaalsContact OG-OG1 3.11Å |
| 428 | Y | 90 | Very high | 90.8 | Very high | 85 Ų | 85 | 28.5 Ų | 28.5 | 33% | 0.333 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.3 | 175.5 | -66.6 | -51.9 | 0 | 0 | 0 | 113.9 | N424 L425 H426 H468 E473 V478 K480 | N424-Y428 PolarHBondContact ND2-OH 3.31Å; N424-Y428 WeakPolarHBondContact O-CD2 3.44Å; N424-Y428 PolarHBondContact O-N 3.43Å; L425-Y428 HydrophobicContact CD2-CD2 4.21Å; L425-Y428 HydrophobicContact CD2-CE2 4.18Å; L425-Y428 PolarHBondContact O-N 3.04Å; H426-Y428 VanDerWaalsContact C-N 3.28Å; H426-Y428 PolarHBondContact O-N 2.95Å; Y428-H468 PolarHBondContact O-CE1 2.87Å; Y428-E473 PolarHBondContact OH-OE2 3.17Å; Y428-V478 HydrophobicContact CE1-CB 4.14Å; Y428-V478 HydrophobicContact CE1-CG1 4.43Å; Y428-V478 HydrophobicContact CE1-CG2 4.24Å; Y428-K480 HydrophobicContact CD1-CG 3.97Å; Y428-K480 HydrophobicContact CE1-CD 4.39Å; Y428-K480 HydrophobicContact CE1-CG 4.22Å |
| 429 | N | 86.6 | Confident | 91.6 | Very high | 67 Ų | 67 | 26.9 Ų | 26.9 | 36% | 0.358 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -79.3 | 159.4 | 176.5 | -68 | -49 | 0 | 0 | 0 | 112 | H426 S427 Y431 H468 S481 | H426-N429 PolarHBondContact O-N 2.77Å; H426-N429 PolarHBondContact O-ND2 2.97Å; S427-N429 PolarHBondContact O-N 2.91Å; N429-Y431 HydrophobicContact CB-CD2 4.31Å; N429-Y431 HydrophobicContact CB-CE1 4.05Å; N429-Y431 HydrophobicContact CB-CE2 3.6Å; N429-Y431 VanDerWaalsContact CB-CZ 3.43Å; N429-Y431 WeakPolarHBondContact CB-OH 2.99Å; N429-Y431 PolarHBondContact ND2-OH 2.95Å; N429-Y431 VanDerWaalsContact ND2-OH 3.09Å; N429-H468 PolarHBondContact O-CE1 3.2Å; N429-H468 VanDerWaalsContact O-CE1 3.27Å; N429-H468 PolarHBondContact O-ND1 3.39Å; N429-S481 VanDerWaalsContact O-CB 3.31Å; N429-S481 WeakPolarHBondContact O-CB 3.01Å; N429-S481 PolarHBondContact O-OG 3.24Å |
| 430 | K | 89.6 | Confident | 92.2 | Very high | 128 Ų | 128 | 26.9 Ų | 26.9 | 56% | 0.557 | 13% | 0.131 | S | C | * | . | trans | -90.8 | 114.7 | 176 | -173.5 | -171.1 | -177.5 | -166.4 | 0 | 111 | D432 H468 | K430-D432 WeakPolarHBondContact CE-OD2 3.16Å; K430-D432 IonicContact NZ-OD2 3.22Å; K430-H468 HydrophobicContact CB-CB 4.43Å; K430-H468 HydrophobicContact CG-CB 3.84Å | ||
| 431 | Y | 92.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | trans | -120.1 | 27.7 | -179.2 | -61.9 | -55.4 | 0 | 0 | 0 | 114.7 | Y281 H426 N429 D433 F434 A437 S481 N483 T484 | Y281-Y431 HydrophobicContact CD1-CD1 4.24Å; Y281-Y431 AromaticContact CD1-CE1 3.64Å; Y281-Y431 HydrophobicContact CD1-CE1 3.64Å; Y281-Y431 HydrophobicContact CD2-CD1 4.37Å; Y281-Y431 HydrophobicContact CD2-CE1 4.09Å; Y281-Y431 AromaticContact CE1-CE1 3.53Å; Y281-Y431 HydrophobicContact CE1-CE1 3.53Å; Y281-Y431 AromaticContact CE1-CZ 3.87Å; Y281-Y431 HydrophobicContact CE2-CE1 4.01Å; Y281-Y431 HydrophobicContact CG-CD1 4.17Å; Y281-Y431 AromaticContact CG-CE1 3.93Å; Y281-Y431 HydrophobicContact CG-CE1 3.93Å; Y281-Y431 AromaticContact CZ-CE1 3.74Å; H426-Y431 AromaticContact CE1-CE2 3.88Å; H426-Y431 AromaticContact CE1-CZ 3.71Å; H426-Y431 PolarHBondContact CE1-OH 3.33Å; H426-Y431 PolarHBondContact ND1-OH 3.27Å; H426-Y431 WeakPolarHBondContact O-CE2 3.22Å; N429-Y431 HydrophobicContact CB-CD2 4.31Å; N429-Y431 HydrophobicContact CB-CE1 4.05Å; N429-Y431 HydrophobicContact CB-CE2 3.6Å; N429-Y431 VanDerWaalsContact CB-CZ 3.43Å; N429-Y431 WeakPolarHBondContact CB-OH 2.99Å; N429-Y431 PolarHBondContact ND2-OH 2.95Å; N429-Y431 VanDerWaalsContact ND2-OH 3.09Å; Y431-D433 PolarHBondContact O-N 3.49Å; Y431-D433 VanDerWaalsContact O-N 3.15Å; Y431-F434 HydrophobicContact CD1-CD2 4.37Å; Y431-F434 PolarHBondContact O-N 3.47Å; Y431-F434 VanDerWaalsContact O-N 3.08Å; Y431-A437 HydrophobicContact CD1-CB 3.65Å; Y431-A437 HydrophobicContact CD2-CB 3.45Å; Y431-A437 VanDerWaalsContact CD2-CB 3.45Å; Y431-A437 HydrophobicContact CE1-CB 3.96Å; Y431-A437 HydrophobicContact CE2-CB 3.74Å; Y431-A437 HydrophobicContact CG-CB 3.4Å; Y431-A437 VanDerWaalsContact CG-CB 3.4Å; Y431-S481 PolarHBondContact N-OG 2.88Å; Y431-N483 WeakPolarHBondContact CB-OD1 3.29Å; Y431-N483 PolarHBondContact O-ND2 2.77Å; Y431-N483 VanDerWaalsContact O-ND2 3.12Å; Y431-T484 HydrophobicContact CD2-CG2 3.57Å; Y431-T484 HydrophobicContact CE2-CG2 3.69Å | ||
| 432 | D | 90.4 | Very high | 93.2 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.9 | -177 | -68.9 | -17.2 | 0 | 0 | 0 | 114.9 | K430 F434 K467 H468 | K430-D432 WeakPolarHBondContact CE-OD2 3.16Å; K430-D432 IonicContact NZ-OD2 3.22Å; D432-F434 PolarHBondContact O-N 2.69Å; D432-K467 HydrophobicContact CB-CD 4.21Å; D432-K467 PolarHBondContact O-NZ 2.97Å; D432-K467 WeakPolarHBondContact OD1-CA 3.21Å; D432-H468 VanDerWaalsContact OD1-CB 3.29Å; D432-H468 WeakPolarHBondContact OD1-CB 2.97Å; D432-H468 PolarHBondContact OD1-N 3.44Å |
| 433 | D | 88.2 | Confident | 93.2 | Very high | 100 Ų | 100 | 25.4 Ų | 25.4 | 54% | 0.535 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.6 | 179.7 | -48.2 | -20.3 | 0 | 0 | 0 | 113.1 | N279 R347 Y431 | N279-D433 PolarHBondContact ND2-O 3.42Å; R347-D433 IonicContact CZ-OD2 2.87Å; R347-D433 IonicContact NH1-OD2 3.7Å; R347-D433 IonicContact NH2-OD2 3.28Å; R347-D433 PolarHBondContact NH2-OD2 3.42Å; Y431-D433 PolarHBondContact O-N 3.49Å; Y431-D433 VanDerWaalsContact O-N 3.15Å |
| 434 | F | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | trans | -123.1 | 145.4 | -167.8 | -58.3 | -78.4 | 0 | 0 | 0 | 112.5 | N279 Y281 D346 R347 Y431 D432 N483 | N279-F434 WeakPolarHBondContact OD1-CA 3.4Å; Y281-F434 HydrophobicContact CD2-CD2 4.48Å; Y281-F434 AromaticContact CD2-CE2 3.9Å; Y281-F434 HydrophobicContact CD2-CE2 3.9Å; Y281-F434 HydrophobicContact CD2-CZ 4.01Å; Y281-F434 HydrophobicContact CG-CE2 4.35Å; D346-F434 HydrophobicContact CB-CD1 4.31Å; D346-F434 HydrophobicContact CB-CE1 3.8Å; R347-F434 HydrophobicContact CB-CE1 3.76Å; R347-F434 HydrophobicContact CB-CZ 3.52Å; R347-F434 HydrophobicContact CG-CZ 4.32Å; R347-F434 VanDerWaalsContact CZ-CZ 3.45Å; Y431-F434 HydrophobicContact CD1-CD2 4.37Å; Y431-F434 PolarHBondContact O-N 3.47Å; Y431-F434 VanDerWaalsContact O-N 3.08Å; D432-F434 PolarHBondContact O-N 2.69Å; F434-N483 PolarHBondContact O-ND2 3.28Å | ||
| 435 | C | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -63.9 | -46.5 | 167.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | C278 N279 C465 C578 | C278-C435 VanDerWaalsContact CA-SG 3.57Å; C278-C435 HydrophobicContact CB-CB 3.86Å; C278-C435 WeakPolarHBondContact CB-SG 3.3Å; C278-C435 WeakPolarHBondContact SG-CB 3.09Å; C278-C435 CovalentContact SG-SG 2.04Å; C278-C435 PolarHBondContact SG-SG 2.87Å; N279-C435 WeakPolarHBondContact O-CB 3.44Å; N279-C435 PolarHBondContact O-N 2.83Å; N279-C435 VanDerWaalsContact O-N 3.08Å; N279-C435 PolarHBondContact OD1-N 3.48Å; C435-C465 PolarHBondContact O-N 3.07Å; C435-C465 VanDerWaalsContact O-N 3.16Å; C435-C578 WeakPolarHBondContact CA-SG 3.37Å; C435-C578 VanDerWaalsContact CB-SG 3.59Å |
| 436 | L | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.9 | 175 | -65 | 174.9 | 0 | 0 | 0 | 112.9 | N279 L280 Y281 Y438 V464 N483 L509 N512 F513 | N279-L436 PolarHBondContact O-N 3.32Å; L280-L436 WeakPolarHBondContact CA-O 2.93Å; L280-L436 HydrophobicContact CD2-CB 3.91Å; Y281-L436 PolarHBondContact N-O 3.48Å; L436-Y438 HydrophobicContact CB-CD2 4.43Å; L436-Y438 HydrophobicContact CB-CE2 4.29Å; L436-Y438 HydrophobicContact CD1-CE2 4.39Å; L436-V464 HydrophobicContact CD1-CG1 3.9Å; L436-V464 HydrophobicContact CD2-CG1 3.95Å; L436-V464 HydrophobicContact CG-CG1 3.95Å; L436-N483 CarbonylContact C-O 3.59Å; L436-N483 WeakPolarHBondContact CA-O 3.25Å; L436-N483 HydrophobicContact CD2-CB 4.16Å; L436-L509 HydrophobicContact CD1-CD2 3.45Å; L436-L509 VanDerWaalsContact CD1-CD2 3.45Å; L436-N512 HydrophobicContact CD1-CB 3.77Å; L436-N512 HydrophobicContact CD2-CB 3.61Å; L436-N512 HydrophobicContact CG-CB 4.38Å; L436-F513 HydrophobicContact CD1-CE2 4.08Å |
| 437 | A | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y281 H426 Y431 N483 T484 G485 | Y281-A437 HydrophobicContact CD1-CB 3.86Å; Y281-A437 HydrophobicContact CG-CB 4.22Å; Y281-A437 CarbonylContact O-C 3.54Å; Y281-A437 WeakPolarHBondContact O-CA 3.35Å; H426-A437 PolarHBondContact NE2-O 3.48Å; Y431-A437 HydrophobicContact CD1-CB 3.65Å; Y431-A437 HydrophobicContact CD2-CB 3.45Å; Y431-A437 VanDerWaalsContact CD2-CB 3.45Å; Y431-A437 HydrophobicContact CE1-CB 3.96Å; Y431-A437 HydrophobicContact CE2-CB 3.74Å; Y431-A437 HydrophobicContact CG-CB 3.4Å; Y431-A437 VanDerWaalsContact CG-CB 3.4Å; A437-N483 PolarHBondContact N-O 3.06Å; A437-T484 HydrophobicContact CB-CG2 4.15Å; A437-T484 VanDerWaalsContact O-CA 3.32Å; A437-T484 WeakPolarHBondContact O-CA 3.38Å; A437-G485 PolarHBondContact O-N 2.89Å |
| 438 | Y | 98.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.6 | -175.2 | -89.9 | -105.4 | 0 | 0 | 0 | 113.6 | Y281 L282 Q283 L436 G485 V487 F505 E508 L509 N512 | Y281-Y438 PolarHBondContact O-N 3.02Å; L282-Y438 CarbonylContact C-O 3.36Å; L282-Y438 WeakPolarHBondContact CA-O 3.36Å; Q283-Y438 PolarHBondContact N-O 2.97Å; L436-Y438 HydrophobicContact CB-CD2 4.43Å; L436-Y438 HydrophobicContact CB-CE2 4.29Å; L436-Y438 HydrophobicContact CD1-CE2 4.39Å; Y438-G485 WeakPolarHBondContact CA-O 3.28Å; Y438-V487 HydrophobicContact CD1-CG2 4.24Å; Y438-V487 HydrophobicContact CE1-CG2 4.29Å; Y438-F505 AromaticContact CD1-CD2 3.9Å; Y438-F505 HydrophobicContact CD1-CD2 3.9Å; Y438-F505 AromaticContact CD1-CE2 3.69Å; Y438-F505 HydrophobicContact CD1-CE2 3.69Å; Y438-F505 HydrophobicContact CD2-CE2 4.14Å; Y438-F505 AromaticContact CE1-CD2 3.96Å; Y438-F505 HydrophobicContact CE1-CD2 3.96Å; Y438-F505 AromaticContact CE1-CE2 3.96Å; Y438-F505 HydrophobicContact CE1-CE2 3.96Å; Y438-F505 HydrophobicContact CE2-CE2 4.41Å; Y438-F505 HydrophobicContact CG-CD2 4.46Å; Y438-F505 AromaticContact CG-CE2 3.79Å; Y438-F505 HydrophobicContact CG-CE2 3.79Å; Y438-E508 HydrophobicContact CE1-CB 3.81Å; Y438-E508 VanDerWaalsContact OH-CB 3.31Å; Y438-E508 WeakPolarHBondContact OH-CB 3.28Å; Y438-E508 PolarHBondContact OH-O 2.8Å; Y438-E508 VanDerWaalsContact OH-O 3.07Å; Y438-L509 HydrophobicContact CE2-CD2 3.91Å; Y438-L509 PolarHBondContact OH-N 3.36Å; Y438-N512 WeakPolarHBondContact CE2-OD1 3.48Å; Y438-N512 VanDerWaalsContact CZ-OD1 3.32Å; Y438-N512 PolarHBondContact OH-OD1 2.78Å |
| 439 | I | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.3 | 168.1 | -175.6 | 168.1 | 0 | 0 | 0 | 111.2 | Q283 D285 F412 Y422 H426 G485 I486 V487 | Q283-I439 HydrophobicContact CB-CB 4.2Å; Q283-I439 HydrophobicContact CB-CG1 4.15Å; Q283-I439 HydrophobicContact CG-CD1 4.01Å; Q283-I439 HydrophobicContact CG-CG1 4.05Å; Q283-I439 CarbonylContact O-C 3.4Å; Q283-I439 WeakPolarHBondContact O-CA 3.36Å; D285-I439 HydrophobicContact CB-CD1 4.32Å; F412-I439 HydrophobicContact CD1-CD1 4.12Å; F412-I439 HydrophobicContact CD2-CD1 4.45Å; F412-I439 HydrophobicContact CE1-CD1 4Å; F412-I439 HydrophobicContact CE2-CD1 4.36Å; F412-I439 HydrophobicContact CG-CD1 4.34Å; F412-I439 HydrophobicContact CZ-CD1 4.13Å; Y422-I439 HydrophobicContact CD1-CG2 4.4Å; Y422-I439 HydrophobicContact CE1-CD1 4.11Å; Y422-I439 HydrophobicContact CE1-CG1 4.21Å; Y422-I439 HydrophobicContact CE1-CG2 3.81Å; Y422-I439 WeakPolarHBondContact OH-CD1 3.25Å; H426-I439 HydrophobicContact CB-CG2 4Å; I439-G485 PolarHBondContact N-O 2.74Å; I439-I486 HydrophobicContact CG2-CB 4.04Å; I439-I486 HydrophobicContact CG2-CG2 3.52Å; I439-I486 VanDerWaalsContact O-CA 3.31Å; I439-I486 WeakPolarHBondContact O-CA 3.35Å; I439-V487 PolarHBondContact O-N 2.8Å |
| 440 | F | 97.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 144.1 | 175 | -77.1 | -106.1 | 0 | 0 | 0 | 110.2 | L282 Q283 S284 D285 L288 F313 H316 V487 L489 F505 | L282-F440 HydrophobicContact CD2-CE2 4.33Å; Q283-F440 PolarHBondContact O-N 2.78Å; S284-F440 WeakPolarHBondContact CA-O 3.38Å; D285-F440 PolarHBondContact N-O 3.34Å; D285-F440 VanDerWaalsContact N-O 3.15Å; L288-F440 HydrophobicContact CD2-CB 3.79Å; F313-F440 HydrophobicContact CD1-CD2 4.06Å; F313-F440 HydrophobicContact CD1-CE2 4.38Å; F313-F440 HydrophobicContact CD1-CG 4.2Å; F313-F440 HydrophobicContact CE1-CB 3.7Å; F313-F440 HydrophobicContact CE1-CD1 4.43Å; F313-F440 AromaticContact CE1-CD2 3.73Å; F313-F440 HydrophobicContact CE1-CD2 3.73Å; F313-F440 HydrophobicContact CE1-CE2 4.49Å; F313-F440 AromaticContact CE1-CG 3.7Å; F313-F440 HydrophobicContact CE1-CG 3.7Å; F313-F440 HydrophobicContact CZ-CB 4.39Å; H316-F440 HydrophobicContact CB-CE1 4.41Å; H316-F440 HydrophobicContact CB-CZ 4.15Å; H316-F440 AromaticContact CD2-CE1 3.84Å; H316-F440 AromaticContact CG-CE1 3.93Å; F440-V487 CarbonylContact C-O 3.49Å; F440-V487 VanDerWaalsContact CA-O 3.3Å; F440-V487 WeakPolarHBondContact CA-O 3.47Å; F440-V487 HydrophobicContact CD1-CB 4.06Å; F440-V487 HydrophobicContact CD1-CG1 4.21Å; F440-V487 HydrophobicContact CE1-CB 3.98Å; F440-V487 HydrophobicContact CE1-CG1 4Å; F440-V487 HydrophobicContact CE1-CG2 4.49Å; F440-V487 HydrophobicContact CZ-CB 4.39Å; F440-V487 HydrophobicContact CZ-CG2 4.48Å; F440-L489 HydrophobicContact CD1-CD2 4.49Å; F440-F505 HydrophobicContact CE2-CD2 4.36Å; F440-F505 HydrophobicContact CE2-CE2 4.28Å; F440-F505 AromaticContact CZ-CD2 3.89Å; F440-F505 HydrophobicContact CZ-CD2 3.89Å; F440-F505 HydrophobicContact CZ-CE2 4.18Å; F440-F505 HydrophobicContact CZ-CG 4.22Å |
| 441 | T | 96.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 169.1 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | D285 Y422 R443 F445 V487 T488 L489 | D285-T441 WeakPolarHBondContact OD1-CA 3.39Å; D285-T441 VanDerWaalsContact OD1-CB 3.31Å; D285-T441 WeakPolarHBondContact OD1-CB 3.27Å; D285-T441 PolarHBondContact OD1-OG1 3.43Å; D285-T441 PolarHBondContact OD2-OG1 3.45Å; Y422-T441 HydrophobicContact CE1-CG2 4.24Å; T441-R443 HydrophobicContact CG2-CB 3.93Å; T441-R443 HydrophobicContact CG2-CG 4.31Å; T441-R443 WeakPolarHBondContact OG1-CD 3.29Å; T441-R443 WeakPolarHBondContact OG1-CG 3.34Å; T441-R443 PolarHBondContact OG1-N 2.96Å; T441-F445 HydrophobicContact CG2-CE2 3.91Å; T441-F445 HydrophobicContact CG2-CZ 3.99Å; T441-V487 PolarHBondContact N-O 3.01Å; T441-T488 WeakPolarHBondContact O-CA 3.34Å; T441-T488 PolarHBondContact O-OG1 2.85Å; T441-L489 PolarHBondContact O-N 3.27Å |
| 442 | Y | 93.7 | Very high | 87 | Confident | 37 Ų | 37 | 17.3 Ų | 17.3 | 15% | 0.145 | 10% | 0.097 | C | C | . | . | trans | -116.7 | 49.3 | 169.9 | -154.4 | -90.6 | 0 | 0 | 0 | 110.2 | L288 H291 L489 L490 | L288-Y442 HydrophobicContact CD1-CD2 4.5Å; H291-Y442 HydrophobicContact CB-CD1 3.97Å; H291-Y442 HydrophobicContact CB-CD2 4.16Å; H291-Y442 HydrophobicContact CB-CG 3.77Å; H291-Y442 AromaticContact CD2-CD2 3.67Å; H291-Y442 AromaticContact CD2-CE2 3.58Å; H291-Y442 AromaticContact CD2-CZ 3.97Å; H291-Y442 AromaticContact CE1-CE1 3.44Å; H291-Y442 VanDerWaalsContact CE1-CE1 3.44Å; H291-Y442 WeakPolarHBondContact CE1-CE1 3.43Å; H291-Y442 AromaticContact CE1-CE2 3.56Å; H291-Y442 AromaticContact CE1-CZ 3.14Å; H291-Y442 PolarHBondContact CE1-OH 3.2Å; H291-Y442 VanDerWaalsContact CE1-OH 3.28Å; H291-Y442 AromaticContact CG-CD1 3.7Å; H291-Y442 AromaticContact CG-CD2 3.67Å; H291-Y442 AromaticContact CG-CE1 3.84Å; H291-Y442 AromaticContact CG-CE2 3.8Å; H291-Y442 AromaticContact CG-CG 3.64Å; H291-Y442 AromaticContact CG-CZ 3.9Å; H291-Y442 AromaticContact ND1-CD1 3.48Å; H291-Y442 WeakPolarHBondContact ND1-CD1 3.38Å; H291-Y442 AromaticContact ND1-CE1 3.21Å; H291-Y442 WeakPolarHBondContact ND1-CE1 3.23Å; H291-Y442 AromaticContact ND1-CE2 3.8Å; H291-Y442 AromaticContact ND1-CG 3.9Å; H291-Y442 AromaticContact ND1-CZ 3.4Å; H291-Y442 AromaticContact NE2-CE2 3.45Å; H291-Y442 WeakPolarHBondContact NE2-CE2 3.34Å; H291-Y442 AromaticContact NE2-CZ 3.53Å; Y442-L489 HydrophobicContact CD2-CB 3.95Å; Y442-L489 HydrophobicContact CE2-CB 4.19Å; Y442-L490 HydrophobicContact CD1-CB 3.99Å; Y442-L490 HydrophobicContact CD1-CD1 4.41Å; Y442-L490 HydrophobicContact CD1-CD2 3.74Å; Y442-L490 HydrophobicContact CD1-CG 4.27Å; Y442-L490 HydrophobicContact CD2-CB 4.35Å; Y442-L490 HydrophobicContact CE1-CB 3.95Å; Y442-L490 HydrophobicContact CE1-CD1 3.65Å; Y442-L490 HydrophobicContact CE1-CD2 3.75Å; Y442-L490 HydrophobicContact CE1-CG 4Å; Y442-L490 HydrophobicContact CE2-CB 4.31Å; Y442-L490 HydrophobicContact CG-CB 4.17Å; Y442-L490 VanDerWaalsContact O-CD2 3.3Å; Y442-L490 WeakPolarHBondContact O-CD2 3.26Å | ||
| 443 | R | 90.9 | Very high | 87.1 | Confident | 12 Ų | 12 | 15.6 Ų | 15.6 | 5% | 0.045 | 9% | 0.088 | C | C | . | . | trans | -106.9 | 138.4 | -178.8 | -75.6 | 165.8 | 179.7 | -90.9 | 7.8 | 111.1 | D285 Y287 F412 A414 P415 T441 F445 T488 | D285-R443 IonicContact OD2-CZ 3.83Å; D285-R443 IonicContact OD2-NE 3.57Å; D285-R443 PolarHBondContact OD2-NE 3.49Å; D285-R443 IonicContact OD2-NH2 3.81Å; Y287-R443 HydrophobicContact CD1-CG 4.3Å; Y287-R443 HydrophobicContact CG-CG 4.09Å; F412-R443 PolarHBondContact O-NH2 2.83Å; A414-R443 PolarHBondContact O-NH1 2.71Å; A414-R443 PolarHBondContact O-NH2 2.83Å; P415-R443 PolarHBondContact O-NH1 2.76Å; T441-R443 HydrophobicContact CG2-CB 3.93Å; T441-R443 HydrophobicContact CG2-CG 4.31Å; T441-R443 WeakPolarHBondContact OG1-CD 3.29Å; T441-R443 WeakPolarHBondContact OG1-CG 3.34Å; T441-R443 PolarHBondContact OG1-N 2.96Å; R443-F445 HydrophobicContact CB-CE1 4.23Å; R443-F445 HydrophobicContact CB-CE2 4.48Å; R443-F445 HydrophobicContact CB-CZ 4.16Å; R443-T488 PolarHBondContact N-OG1 2.81Å; R443-T488 WeakPolarHBondContact O-CB 3.47Å; R443-T488 WeakPolarHBondContact O-CG2 3.43Å; R443-T488 PolarHBondContact O-OG1 3.42Å | ||
| 444 | D | 82.4 | Confident | 87.3 | Confident | 75 Ų | 75 | 11.6 Ų | 11.6 | 40% | 0.401 | 7% | 0.066 | S | C | . | . | trans | -90.6 | 102.6 | 174.9 | -163.2 | 9.2 | 0 | 0 | 0 | 108.6 | L490 Y492 G493 | D444-L490 HydrophobicContact CB-CD2 3.88Å; D444-L490 HydrophobicContact CB-CG 4.03Å; D444-Y492 WeakPolarHBondContact OD1-CA 3.37Å; D444-Y492 PolarHBondContact OD1-N 3.48Å; D444-Y492 VanDerWaalsContact OD2-C 3.31Å; D444-Y492 VanDerWaalsContact OD2-CA 3.27Å; D444-Y492 WeakPolarHBondContact OD2-CA 3.46Å; D444-Y492 PolarHBondContact OD2-N 3.32Å; D444-G493 PolarHBondContact OD2-N 2.82Å | ||
| 445 | F | 81.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 13.4 Ų | 13.4 | 4% | 0.044 | 8% | 0.077 | C | C | . | . | trans | -84.9 | 141.3 | -175.8 | -70.4 | -58.7 | 0 | 0 | 0 | 111.9 | V419 Y422 T441 R443 G447 G448 T449 I486 T488 | V419-F445 HydrophobicContact CB-CB 4.07Å; V419-F445 HydrophobicContact CB-CD1 3.81Å; V419-F445 HydrophobicContact CB-CD2 4.34Å; V419-F445 HydrophobicContact CB-CE1 4.29Å; V419-F445 HydrophobicContact CB-CG 3.84Å; V419-F445 HydrophobicContact CG2-CB 4.28Å; V419-F445 HydrophobicContact CG2-CD1 4.2Å; V419-F445 HydrophobicContact CG2-CD2 3.86Å; V419-F445 HydrophobicContact CG2-CE2 4.19Å; V419-F445 HydrophobicContact CG2-CG 3.87Å; V419-F445 HydrophobicContact CG2-CZ 4.5Å; Y422-F445 AromaticContact CD1-CZ 3.9Å; Y422-F445 HydrophobicContact CD1-CZ 3.9Å; Y422-F445 HydrophobicContact CD2-CE1 4.49Å; Y422-F445 HydrophobicContact CD2-CZ 4.4Å; Y422-F445 HydrophobicContact CE1-CZ 4.34Å; Y422-F445 HydrophobicContact CG-CE1 4.19Å; Y422-F445 AromaticContact CG-CZ 3.93Å; Y422-F445 HydrophobicContact CG-CZ 3.93Å; T441-F445 HydrophobicContact CG2-CE2 3.91Å; T441-F445 HydrophobicContact CG2-CZ 3.99Å; R443-F445 HydrophobicContact CB-CE1 4.23Å; R443-F445 HydrophobicContact CB-CE2 4.48Å; R443-F445 HydrophobicContact CB-CZ 4.16Å; F445-G447 PolarHBondContact O-N 2.62Å; F445-G448 WeakPolarHBondContact O-CA 3.44Å; F445-G448 PolarHBondContact O-N 3.48Å; F445-T449 WeakPolarHBondContact CD2-O 3.47Å; F445-I486 HydrophobicContact CE2-CD1 4.07Å; F445-I486 HydrophobicContact CZ-CD1 4.11Å; F445-T488 HydrophobicContact CD2-CG2 3.72Å; F445-T488 HydrophobicContact CE2-CG2 4.05Å | ||
| 446 | S | 69.9 | Low | 86.7 | Confident | 57 Ų | 57 | 13.6 Ų | 13.6 | 40% | 0.399 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.6 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | G448 | S446-G448 PolarHBondContact O-N 2.8Š|
| 447 | G | 61.2 | Low | 86.1 | Confident | 14 Ų | 14 | 16.6 Ų | 16.6 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -12.9 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | D194 L195 K196 F445 Y492 | D194-G447 WeakPolarHBondContact O-CA 3.44Å; L195-G447 CarbonylContact C-O 3.55Å; L195-G447 WeakPolarHBondContact CA-O 3.24Å; K196-G447 PolarHBondContact N-O 3.31Å; K196-G447 CarbonylContact O-C 3.59Å; F445-G447 PolarHBondContact O-N 2.62Å; G447-Y492 PolarHBondContact O-OH 2.8Å |
| 448 | G | 64.1 | Low | 85.4 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | 78.1 | 35.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | K196 F445 S446 I450 N491 Y492 | K196-G448 CarbonylContact O-C 3.54Å; F445-G448 WeakPolarHBondContact O-CA 3.44Å; F445-G448 PolarHBondContact O-N 3.48Å; S446-G448 PolarHBondContact O-N 2.8Å; G448-I450 PolarHBondContact O-N 3.37Å; G448-N491 WeakPolarHBondContact CA-OD1 3.22Å; G448-N491 PolarHBondContact O-ND2 3.05Å; G448-Y492 WeakPolarHBondContact CA-OH 3.28Å | ||
| 449 | T | 73.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | trans | -75.9 | 113.8 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | K196 F197 V419 F445 G451 | K196-T449 WeakPolarHBondContact O-CA 3.35Å; K196-T449 WeakPolarHBondContact O-CB 3.46Å; K196-T449 PolarHBondContact O-N 3.36Å; K196-T449 PolarHBondContact O-OG1 3.12Å; F197-T449 CarbonylContact O-C 3.56Å; F197-T449 VanDerWaalsContact O-CA 3.29Å; F197-T449 WeakPolarHBondContact O-CA 3.23Å; V419-T449 HydrophobicContact CG1-CG2 4.47Å; V419-T449 HydrophobicContact CG2-CG2 3.84Å; F445-T449 WeakPolarHBondContact CD2-O 3.47Å; T449-G451 WeakPolarHBondContact CG2-O 3.39Å | ||
| 450 | I | 79.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | trans | -97.9 | -10.2 | -174.4 | 64 | 167.1 | 0 | 0 | 0 | 114.6 | F197 G448 V487 T488 N491 V496 V500 T504 | F197-I450 HydrophobicContact CD2-CD1 4.17Å; F197-I450 HydrophobicContact CD2-CG1 3.93Å; F197-I450 HydrophobicContact CE2-CD1 3.3Å; F197-I450 HydrophobicContact CE2-CG1 3.5Å; F197-I450 HydrophobicContact CZ-CD1 3.62Å; F197-I450 HydrophobicContact CZ-CG1 3.84Å; F197-I450 PolarHBondContact O-N 3.2Å; G448-I450 PolarHBondContact O-N 3.37Å; I450-V487 WeakPolarHBondContact O-CA 2.97Å; I450-T488 HydrophobicContact CB-CG2 4.12Å; I450-T488 HydrophobicContact CG2-CG2 4.19Å; I450-T488 PolarHBondContact O-N 2.84Å; I450-N491 HydrophobicContact CG2-CB 3.64Å; I450-N491 VanDerWaalsContact CG2-ND2 3.32Å; I450-N491 WeakPolarHBondContact CG2-ND2 3.45Å; I450-V496 HydrophobicContact CD1-CG1 4.22Å; I450-V496 HydrophobicContact CG2-CG2 4.18Å; I450-V500 HydrophobicContact CD1-CG1 4.1Å; I450-T504 HydrophobicContact CB-CG2 4.45Å; I450-T504 HydrophobicContact CD1-CG2 4.11Å; I450-T504 WeakPolarHBondContact CD1-OG1 2.97Å; I450-T504 HydrophobicContact CG1-CG2 3.81Å | ||
| 451 | G | 89.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 156.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T449 I486 E508 | T449-G451 WeakPolarHBondContact CG2-O 3.39Å; G451-I486 VanDerWaalsContact CA-O 3.29Å; G451-I486 WeakPolarHBondContact CA-O 3.09Å; G451-E508 VanDerWaalsContact C-CD 3.4Å; G451-E508 WeakPolarHBondContact CA-OE1 3.34Å |
| 452 | L | 90.2 | Very high | 81.7 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 128.4 | 168 | -169.8 | 71.8 | 0 | 0 | 0 | 110.9 | L200 V419 T420 L423 G485 I486 E508 | L200-L452 HydrophobicContact CG-CD1 4.42Å; V419-L452 HydrophobicContact CG2-CB 4.15Å; V419-L452 HydrophobicContact CG2-CD2 4.3Å; T420-L452 HydrophobicContact CG2-CD2 4.27Å; L423-L452 HydrophobicContact CB-CD2 4.3Å; L423-L452 HydrophobicContact CD2-CB 4.49Å; L423-L452 HydrophobicContact CD2-CD2 3.88Å; L423-L452 HydrophobicContact CD2-CG 3.87Å; L452-G485 CarbonylContact O-C 3.5Å; L452-G485 WeakPolarHBondContact O-CA 3.4Å; L452-I486 HydrophobicContact CB-CD1 4.14Å; L452-I486 HydrophobicContact CB-CG1 4.02Å; L452-I486 PolarHBondContact N-O 2.81Å; L452-I486 VanDerWaalsContact N-O 3.14Å; L452-I486 PolarHBondContact O-N 2.56Å; L452-E508 WeakPolarHBondContact CA-OE2 3.3Å; L452-E508 VanDerWaalsContact N-CD 3.33Å; L452-E508 PolarHBondContact N-OE2 3.14Å |
| 453 | A | 92.5 | Very high | 81.5 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V455 E508 H511 | A453-V455 PolarHBondContact O-N 2.9Å; A453-E508 HydrophobicContact CB-CB 3.92Å; A453-E508 WeakPolarHBondContact CB-OE2 3.17Å; A453-E508 PolarHBondContact N-OE2 2.83Å; A453-H511 HydrophobicContact CB-CB 4.32Å |
| 454 | W | 91.4 | Very high | 81.7 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 121.9 | 173.5 | -66.4 | 96 | 0 | 0 | 0 | 110.9 | M209 L423 S427 A456 L482 T484 N512 | M209-W454 HydrophobicContact CB-CH2 4.16Å; M209-W454 HydrophobicContact CB-CZ3 3.71Å; M209-W454 HydrophobicContact CG-CH2 3.64Å; M209-W454 HydrophobicContact CG-CZ3 3.69Å; M209-W454 HydrophobicContact SD-CE3 4.33Å; M209-W454 HydrophobicContact SD-CH2 3.74Å; M209-W454 HydrophobicContact SD-CZ2 4.26Å; M209-W454 HydrophobicContact SD-CZ3 3.78Å; L423-W454 HydrophobicContact CD2-CG 4.44Å; S427-W454 PolarHBondContact OG-NE1 2.84Å; W454-A456 PolarHBondContact O-N 2.98Å; W454-L482 HydrophobicContact CB-CB 4.28Å; W454-L482 WeakPolarHBondContact CB-O 3.49Å; W454-L482 HydrophobicContact CD2-CB 4.2Å; W454-L482 HydrophobicContact CD2-CD1 4.21Å; W454-L482 HydrophobicContact CD2-CD2 3.97Å; W454-L482 HydrophobicContact CD2-CG 4.35Å; W454-L482 HydrophobicContact CE3-CD1 3.98Å; W454-L482 HydrophobicContact CE3-CD2 4.38Å; W454-L482 HydrophobicContact CG-CB 3.96Å; W454-L482 HydrophobicContact CG-CD2 4.45Å; W454-L482 HydrophobicContact CH2-CD2 4.21Å; W454-L482 HydrophobicContact CZ2-CD2 3.77Å; W454-L482 HydrophobicContact CZ3-CD1 4.21Å; W454-L482 HydrophobicContact CZ3-CD2 4.48Å; W454-T484 PolarHBondContact N-O 3.39Å; W454-T484 PolarHBondContact NE1-OG1 3.49Å; W454-N512 PolarHBondContact O-ND2 2.94Å |
| 455 | V | 88.9 | Confident | 82.2 | Confident | 43 Ų | 43 | 19 Ų | 19 | 26% | 0.261 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 123.1 | 176.6 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | A453 H511 K516 | A453-V455 PolarHBondContact O-N 2.9Å; V455-H511 WeakPolarHBondContact CA-O 3.32Å; V455-H511 HydrophobicContact CG2-CB 4Å; V455-K516 HydrophobicContact CG1-CG 3.97Å |
| 456 | A | 88.5 | Confident | 82.7 | Confident | 3 Ų | 3 | 19.5 Ų | 19.5 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 144.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W454 G462 H511 N512 G514 L567 | W454-A456 PolarHBondContact O-N 2.98Å; A456-G462 WeakPolarHBondContact CA-O 3.43Å; A456-G462 WeakPolarHBondContact CB-O 3.49Å; A456-H511 PolarHBondContact N-O 3.19Å; A456-N512 WeakPolarHBondContact CB-O 3.48Å; A456-G514 WeakPolarHBondContact O-CA 3.26Å; A456-L567 HydrophobicContact CB-CD1 4.03Å; A456-L567 HydrophobicContact CB-CD2 3.43Å; A456-L567 VanDerWaalsContact CB-CD2 3.43Å; A456-L567 HydrophobicContact CB-CG 4.39Å |
| 457 | E | 83.4 | Confident | 83.7 | Confident | 63 Ų | 63 | 19.5 Ų | 19.5 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | trans | -127.7 | 137.6 | 169.8 | -62.7 | -164 | 124.3 | 0 | 0 | 110.6 | N213 G459 G460 K516 | N213-E457 PolarHBondContact ND2-OE2 2.83Å; E457-G459 PolarHBondContact O-N 2.89Å; E457-G459 VanDerWaalsContact O-N 3.14Å; E457-G460 WeakPolarHBondContact O-CA 3.46Å; E457-G460 PolarHBondContact O-N 3.4Å; E457-K516 IonicContact OE1-NZ 2.73Å; E457-K516 PolarHBondContact OE1-NZ 3.4Å | ||
| 458 | V | 82.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 20.9 Ų | 20.9 | 50% | 0.503 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 115.2 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | G460 K566 L567 H570 | V458-G460 VanDerWaalsContact C-N 3.3Å; V458-K566 HydrophobicContact CG2-CB 4.4Å; V458-L567 HydrophobicContact CG2-CD1 4.22Å; V458-H570 HydrophobicContact CG1-CB 4.12Å |
| 459 | G | 74.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 53% | 0.526 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | E457 H570 | E457-G459 PolarHBondContact O-N 2.89Å; E457-G459 VanDerWaalsContact O-N 3.14Å; G459-H570 PolarHBondContact N-NE2 2.92Å |
| 460 | G | 74.3 | Confident | 87 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 22% | 0.216 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -108.9 | -137.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E457 V458 | E457-G460 WeakPolarHBondContact O-CA 3.46Å; E457-G460 PolarHBondContact O-N 3.4Å; V458-G460 VanDerWaalsContact C-N 3.3Å |
| 461 | A | 79.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -130.4 | 150 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N213 E466 R469 M471 L482 | N213-A461 PolarHBondContact ND2-O 3Å; A461-E466 VanDerWaalsContact CA-OE2 3.32Å; A461-E466 WeakPolarHBondContact CA-OE2 3.34Å; A461-R469 VanDerWaalsContact CB-NH2 3.25Å; A461-M471 HydrophobicContact CB-CE 4.15Å; A461-L482 HydrophobicContact CB-CD1 4.2Å |
| 462 | G | 84.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | trans | 103.3 | 162.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | A456 E466 | A456-G462 WeakPolarHBondContact CA-O 3.43Å; A456-G462 WeakPolarHBondContact CB-O 3.49Å; G462-E466 PolarHBondContact N-OE2 3.24Å | ||
| 463 | G | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 72.3 | -149.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C465 E466 L482 N483 N512 | G463-C465 PolarHBondContact O-N 3.22Å; G463-E466 WeakPolarHBondContact O-CB 3.02Å; G463-E466 PolarHBondContact O-N 3.2Å; G463-L482 PolarHBondContact N-O 2.96Å; G463-N483 WeakPolarHBondContact O-CA 3.29Å; G463-N483 WeakPolarHBondContact O-CB 3.48Å; G463-N512 WeakPolarHBondContact CA-O 3.11Å |
| 464 | V | 93.5 | Very high | 84.9 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 134.4 | -167.5 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | L436 E466 N512 F513 L567 V571 F579 | L436-V464 HydrophobicContact CD1-CG1 3.9Å; L436-V464 HydrophobicContact CD2-CG1 3.95Å; L436-V464 HydrophobicContact CG-CG1 3.95Å; V464-E466 PolarHBondContact O-N 3.13Å; V464-E466 VanDerWaalsContact O-N 3.14Å; V464-N512 PolarHBondContact N-O 2.95Å; V464-F513 HydrophobicContact CG1-CD1 4.19Å; V464-F513 HydrophobicContact CG1-CD2 3.79Å; V464-F513 HydrophobicContact CG1-CE1 4.01Å; V464-F513 HydrophobicContact CG1-CE2 3.6Å; V464-F513 HydrophobicContact CG1-CG 4.09Å; V464-F513 HydrophobicContact CG1-CZ 3.7Å; V464-L567 HydrophobicContact CG2-CD2 3.72Å; V464-L567 HydrophobicContact CG2-CG 4.48Å; V464-V571 HydrophobicContact CG2-CG2 4.33Å; V464-F579 HydrophobicContact CB-CZ 4.44Å; V464-F579 HydrophobicContact CG2-CZ 4.5Å |
| 465 | C | 93.5 | Very high | 84.1 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 3 | 178.4 | -51.4 | 0 | 0 | 0 | 0 | 117.3 | C435 G463 K467 V571 N576 C578 | C435-C465 PolarHBondContact O-N 3.07Å; C435-C465 VanDerWaalsContact O-N 3.16Å; G463-C465 PolarHBondContact O-N 3.22Å; C465-K467 WeakPolarHBondContact O-CE 3.39Å; C465-V571 HydrophobicContact CB-CG1 4.13Å; C465-N576 WeakPolarHBondContact CB-O 3.14Å; C465-C578 WeakPolarHBondContact CA-SG 3.48Å; C465-C578 HydrophobicContact CB-CB 3.71Å; C465-C578 WeakPolarHBondContact CB-SG 3.36Å; C465-C578 WeakPolarHBondContact SG-CB 3.13Å; C465-C578 PolarHBondContact SG-N 3.34Å; C465-C578 CovalentContact SG-SG 2.03Å; C465-C578 PolarHBondContact SG-SG 3.36Å |
| 466 | E | 91.8 | Very high | 83.5 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | trans | -59.2 | 142.4 | 176.7 | -178.2 | 60.4 | -91.5 | 0 | 0 | 112.4 | A461 G462 G463 V464 R469 L482 N483 | A461-E466 VanDerWaalsContact CA-OE2 3.32Å; A461-E466 WeakPolarHBondContact CA-OE2 3.34Å; G462-E466 PolarHBondContact N-OE2 3.24Å; G463-E466 WeakPolarHBondContact O-CB 3.02Å; G463-E466 PolarHBondContact O-N 3.2Å; V464-E466 PolarHBondContact O-N 3.13Å; V464-E466 VanDerWaalsContact O-N 3.14Å; E466-R469 IonicContact OE1-CZ 3.62Å; E466-R469 IonicContact OE1-NH1 3.53Å; E466-R469 PolarHBondContact OE1-NH1 3.32Å; E466-R469 IonicContact OE2-CZ 3.66Å; E466-R469 IonicContact OE2-NH1 3.83Å; E466-R469 PolarHBondContact OE2-NH1 3.41Å; E466-R469 IonicContact OE2-NH2 3.63Å; E466-L482 HydrophobicContact CG-CB 4.06Å; E466-N483 HydrophobicContact CB-CB 4.12Å | ||
| 467 | K | 91 | Very high | 83.2 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | trans | -108.1 | 155 | -172.6 | -59.2 | -54 | -176.9 | -165.8 | 0 | 113 | D432 C465 R469 | D432-K467 HydrophobicContact CB-CD 4.21Å; D432-K467 PolarHBondContact O-NZ 2.97Å; D432-K467 WeakPolarHBondContact OD1-CA 3.21Å; C465-K467 WeakPolarHBondContact O-CE 3.39Å; K467-R469 PolarHBondContact O-N 3.3Å | ||
| 468 | H | 91.3 | Very high | 83.3 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | trans | -68.2 | 97.2 | -176.8 | -166.3 | 71 | 0 | 0 | 0 | 111.6 | Y428 N429 K430 D432 F479 K480 S481 | Y428-H468 PolarHBondContact O-CE1 2.87Å; N429-H468 PolarHBondContact O-CE1 3.2Å; N429-H468 VanDerWaalsContact O-CE1 3.27Å; N429-H468 PolarHBondContact O-ND1 3.39Å; K430-H468 HydrophobicContact CB-CB 4.43Å; K430-H468 HydrophobicContact CG-CB 3.84Å; D432-H468 VanDerWaalsContact OD1-CB 3.29Å; D432-H468 WeakPolarHBondContact OD1-CB 2.97Å; D432-H468 PolarHBondContact OD1-N 3.44Å; H468-F479 AromaticContact CD2-CD1 3.96Å; H468-F479 WeakPolarHBondContact NE2-CB 3.45Å; H468-K480 CarbonylContact C-O 3.44Å; H468-K480 WeakPolarHBondContact CA-O 3.35Å; H468-S481 WeakPolarHBondContact CA-OG 3.42Å; H468-S481 VanDerWaalsContact CB-OG 3.22Å; H468-S481 WeakPolarHBondContact CB-OG 3.37Å; H468-S481 PolarHBondContact ND1-N 3.42Å; H468-S481 PolarHBondContact ND1-OG 3.19Å | ||
| 469 | R | 89.5 | Confident | 83.6 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158.6 | -170.2 | 74.3 | -163.3 | -154.4 | -155.9 | 7.1 | 113.1 | D216 A461 E466 K467 M471 F479 K480 | D216-R469 IonicContact OD2-CZ 3.8Å; D216-R469 IonicContact OD2-NE 2.78Å; D216-R469 PolarHBondContact OD2-NE 2.75Å; D216-R469 IonicContact OD2-NH2 2.83Å; D216-R469 PolarHBondContact OD2-NH2 3.34Å; A461-R469 VanDerWaalsContact CB-NH2 3.25Å; E466-R469 IonicContact OE1-CZ 3.62Å; E466-R469 IonicContact OE1-NH1 3.53Å; E466-R469 PolarHBondContact OE1-NH1 3.32Å; E466-R469 IonicContact OE2-CZ 3.66Å; E466-R469 IonicContact OE2-NH1 3.83Å; E466-R469 PolarHBondContact OE2-NH1 3.41Å; E466-R469 IonicContact OE2-NH2 3.63Å; K467-R469 PolarHBondContact O-N 3.3Å; R469-M471 HydrophobicContact CG-CG 4.18Å; R469-M471 PolarHBondContact O-N 3.02Å; R469-F479 WeakPolarHBondContact O-CA 3.47Å; R469-K480 PolarHBondContact N-O 3.46Å; R469-K480 PolarHBondContact O-N 3.46Å |
| 470 | K | 87.4 | Confident | 84.4 | Confident | 129 Ų | 129 | 49.7 Ų | 49.7 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.8 | 175.8 | -68.2 | -174.6 | -178.4 | 179.6 | 0 | 109.9 | V478 F479 | K470-V478 CarbonylContact C-O 3.34Å; K470-V478 WeakPolarHBondContact CA-O 3.35Å; K470-F479 HydrophobicContact CD-CE1 4.38Å; K470-F479 HydrophobicContact CD-CE2 4.33Å; K470-F479 HydrophobicContact CD-CZ 4.1Å; K470-F479 HydrophobicContact CG-CD1 3.77Å; K470-F479 HydrophobicContact CG-CD2 4.16Å; K470-F479 HydrophobicContact CG-CE1 3.61Å; K470-F479 HydrophobicContact CG-CE2 4.03Å; K470-F479 HydrophobicContact CG-CG 4.07Å; K470-F479 HydrophobicContact CG-CZ 3.77Å |
| 471 | M | 82.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.2 | 176.1 | -50.4 | -163.1 | 86.6 | 0 | 0 | 109.5 | T212 A461 R469 N477 V478 K480 L482 | T212-M471 HydrophobicContact CG2-CB 4.37Å; T212-M471 HydrophobicContact CG2-CE 4.39Å; A461-M471 HydrophobicContact CB-CE 4.15Å; R469-M471 HydrophobicContact CG-CG 4.18Å; R469-M471 PolarHBondContact O-N 3.02Å; M471-N477 WeakPolarHBondContact O-CA 3.47Å; M471-V478 PolarHBondContact N-O 3.31Å; M471-V478 PolarHBondContact O-N 3.39Å; M471-K480 HydrophobicContact SD-CB 4.29Å; M471-L482 HydrophobicContact CE-CD1 3.8Å; M471-L482 HydrophobicContact SD-CD1 3.55Å; M471-L482 VanDerWaalsContact SD-CD1 3.55Å; M471-L482 HydrophobicContact SD-CD2 4.03Å; M471-L482 HydrophobicContact SD-CG 3.79Å |
| 472 | L | 79 | Confident | 85.9 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.1 | 175.1 | -168.2 | 71.8 | 0 | 0 | 0 | 109.8 | E215 | E215-L472 WeakPolarHBondContact OE1-CD2 3.46Å |
| 473 | E | 72 | Confident | 86.4 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 108.7 | 171.6 | -178 | 158 | -129.7 | 0 | 0 | 107.6 | N424 Y428 N475 Q476 V478 K480 | N424-E473 PolarHBondContact ND2-OE1 2.87Å; Y428-E473 PolarHBondContact OH-OE2 3.17Å; E473-N475 PolarHBondContact O-N 3.09Å; E473-Q476 PolarHBondContact N-O 2.87Å; E473-Q476 PolarHBondContact O-N 3.34Å; E473-V478 HydrophobicContact CB-CG2 3.71Å; E473-K480 IonicContact OE1-NZ 3.73Å; E473-K480 PolarHBondContact OE1-NZ 2.89Å; E473-K480 VanDerWaalsContact OE2-CE 3.3Å; E473-K480 WeakPolarHBondContact OE2-CE 3.04Å; E473-K480 IonicContact OE2-NZ 3.18Å; E473-K480 PolarHBondContact OE2-NZ 2.93Å |
| 474 | G | 72.9 | Confident | 86.7 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -105.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113 | E208 | E208-G474 PolarHBondContact OE1-N 3.14Š|
| 475 | N | 75.9 | Confident | 86.8 | Confident | 165 Ų | 165 | 47.9 Ų | 47.9 | 88% | 0.882 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 5.5 | -179.8 | -73.2 | -13.9 | 0 | 0 | 0 | 113.5 | E473 | E473-N475 PolarHBondContact O-N 3.09Š|
| 476 | Q | 76.8 | Confident | 86.9 | Confident | 142 Ų | 142 | 47.7 Ų | 47.7 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.9 | -173.8 | -65.3 | -171.8 | -5.4 | 0 | 0 | 111.7 | E473 | E473-Q476 PolarHBondContact N-O 2.87Å; E473-Q476 PolarHBondContact O-N 3.34Å |
| 477 | N | 81.5 | Confident | 87 | Confident | 112 Ų | 112 | 46.8 Ų | 46.8 | 60% | 0.599 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 110.7 | 171 | -71.5 | -74.9 | 0 | 0 | 0 | 108.8 | M471 | M471-N477 WeakPolarHBondContact O-CA 3.47Å |
| 478 | V | 86 | Confident | 87.1 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.6 | 179.4 | -69.3 | 0 | 0 | 0 | 0 | 109.5 | Y428 K470 M471 E473 K480 | Y428-V478 HydrophobicContact CE1-CB 4.14Å; Y428-V478 HydrophobicContact CE1-CG1 4.43Å; Y428-V478 HydrophobicContact CE1-CG2 4.24Å; K470-V478 CarbonylContact C-O 3.34Å; K470-V478 WeakPolarHBondContact CA-O 3.35Å; M471-V478 PolarHBondContact N-O 3.31Å; M471-V478 PolarHBondContact O-N 3.39Å; E473-V478 HydrophobicContact CB-CG2 3.71Å; V478-K480 HydrophobicContact CG2-CD 4.39Å; V478-K480 HydrophobicContact CG2-CG 4.36Å |
| 479 | F | 88.9 | Confident | 87 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.3 | 171 | -75.3 | -91.4 | 0 | 0 | 0 | 110.1 | H468 R469 K470 | H468-F479 AromaticContact CD2-CD1 3.96Å; H468-F479 WeakPolarHBondContact NE2-CB 3.45Å; R469-F479 WeakPolarHBondContact O-CA 3.47Å; K470-F479 HydrophobicContact CD-CE1 4.38Å; K470-F479 HydrophobicContact CD-CE2 4.33Å; K470-F479 HydrophobicContact CD-CZ 4.1Å; K470-F479 HydrophobicContact CG-CD1 3.77Å; K470-F479 HydrophobicContact CG-CD2 4.16Å; K470-F479 HydrophobicContact CG-CE1 3.61Å; K470-F479 HydrophobicContact CG-CE2 4.03Å; K470-F479 HydrophobicContact CG-CG 4.07Å; K470-F479 HydrophobicContact CG-CZ 3.77Å |
| 480 | K | 90.7 | Very high | 86.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.8 | 174.3 | -66.2 | -176.7 | -178.7 | 176.1 | 0 | 111.8 | N424 S427 Y428 H468 R469 M471 E473 V478 L482 | N424-K480 WeakPolarHBondContact OD1-CE 3.24Å; N424-K480 PolarHBondContact OD1-NZ 3.39Å; S427-K480 CarbonylContact O-C 3.45Å; S427-K480 WeakPolarHBondContact O-CA 3.23Å; Y428-K480 HydrophobicContact CD1-CG 3.97Å; Y428-K480 HydrophobicContact CE1-CD 4.39Å; Y428-K480 HydrophobicContact CE1-CG 4.22Å; H468-K480 CarbonylContact C-O 3.44Å; H468-K480 WeakPolarHBondContact CA-O 3.35Å; R469-K480 PolarHBondContact N-O 3.46Å; R469-K480 PolarHBondContact O-N 3.46Å; M471-K480 HydrophobicContact SD-CB 4.29Å; E473-K480 IonicContact OE1-NZ 3.73Å; E473-K480 PolarHBondContact OE1-NZ 2.89Å; E473-K480 VanDerWaalsContact OE2-CE 3.3Å; E473-K480 WeakPolarHBondContact OE2-CE 3.04Å; E473-K480 IonicContact OE2-NZ 3.18Å; E473-K480 PolarHBondContact OE2-NZ 2.93Å; V478-K480 HydrophobicContact CG2-CD 4.39Å; V478-K480 HydrophobicContact CG2-CG 4.36Å; K480-L482 HydrophobicContact CB-CD2 3.8Å; K480-L482 HydrophobicContact CD-CD2 4.2Å |
| 481 | S | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -103 | 115.6 | 161.1 | -75.5 | 0 | 0 | 0 | 0 | 108.4 | S427 N429 Y431 H468 N483 T484 | S427-S481 WeakPolarHBondContact CB-O 2.97Å; S427-S481 PolarHBondContact O-N 3.43Å; N429-S481 VanDerWaalsContact O-CB 3.31Å; N429-S481 WeakPolarHBondContact O-CB 3.01Å; N429-S481 PolarHBondContact O-OG 3.24Å; Y431-S481 PolarHBondContact N-OG 2.88Å; H468-S481 WeakPolarHBondContact CA-OG 3.42Å; H468-S481 VanDerWaalsContact CB-OG 3.22Å; H468-S481 WeakPolarHBondContact CB-OG 3.37Å; H468-S481 PolarHBondContact ND1-N 3.42Å; H468-S481 PolarHBondContact ND1-OG 3.19Å; S481-N483 WeakPolarHBondContact CB-OD1 3.48Å; S481-T484 WeakPolarHBondContact O-CG2 3.01Å; S481-T484 PolarHBondContact O-OG1 2.91Å; S481-T484 VanDerWaalsContact O-OG1 3.13Å | ||
| 482 | L | 94 | Very high | 84.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -96.8 | 15.4 | 179.9 | -49.7 | -170.1 | 0 | 0 | 0 | 113 | W454 A461 G463 E466 M471 K480 T484 | W454-L482 HydrophobicContact CB-CB 4.28Å; W454-L482 WeakPolarHBondContact CB-O 3.49Å; W454-L482 HydrophobicContact CD2-CB 4.2Å; W454-L482 HydrophobicContact CD2-CD1 4.21Å; W454-L482 HydrophobicContact CD2-CD2 3.97Å; W454-L482 HydrophobicContact CD2-CG 4.35Å; W454-L482 HydrophobicContact CE3-CD1 3.98Å; W454-L482 HydrophobicContact CE3-CD2 4.38Å; W454-L482 HydrophobicContact CG-CB 3.96Å; W454-L482 HydrophobicContact CG-CD2 4.45Å; W454-L482 HydrophobicContact CH2-CD2 4.21Å; W454-L482 HydrophobicContact CZ2-CD2 3.77Å; W454-L482 HydrophobicContact CZ3-CD1 4.21Å; W454-L482 HydrophobicContact CZ3-CD2 4.48Å; A461-L482 HydrophobicContact CB-CD1 4.2Å; G463-L482 PolarHBondContact N-O 2.96Å; E466-L482 HydrophobicContact CG-CB 4.06Å; M471-L482 HydrophobicContact CE-CD1 3.8Å; M471-L482 HydrophobicContact SD-CD1 3.55Å; M471-L482 VanDerWaalsContact SD-CD1 3.55Å; M471-L482 HydrophobicContact SD-CD2 4.03Å; M471-L482 HydrophobicContact SD-CG 3.79Å; K480-L482 HydrophobicContact CB-CD2 3.8Å; K480-L482 HydrophobicContact CD-CD2 4.2Å; L482-T484 PolarHBondContact O-N 3.05Å; L482-T484 VanDerWaalsContact O-N 3.1Å | ||
| 483 | N | 95.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -81.2 | 39.8 | 169.3 | 65.1 | -22.7 | 0 | 0 | 0 | 111.6 | Y431 F434 L436 A437 G463 E466 S481 | Y431-N483 WeakPolarHBondContact CB-OD1 3.29Å; Y431-N483 PolarHBondContact O-ND2 2.77Å; Y431-N483 VanDerWaalsContact O-ND2 3.12Å; F434-N483 PolarHBondContact O-ND2 3.28Å; L436-N483 CarbonylContact C-O 3.59Å; L436-N483 WeakPolarHBondContact CA-O 3.25Å; L436-N483 HydrophobicContact CD2-CB 4.16Å; A437-N483 PolarHBondContact N-O 3.06Å; G463-N483 WeakPolarHBondContact O-CA 3.29Å; G463-N483 WeakPolarHBondContact O-CB 3.48Å; E466-N483 HydrophobicContact CB-CB 4.12Å; S481-N483 WeakPolarHBondContact CB-OD1 3.48Å |
| 484 | T | 96.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.1 | -162.3 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | S427 Y431 A437 W454 S481 L482 N512 | S427-T484 PolarHBondContact OG-OG1 2.93Å; S427-T484 VanDerWaalsContact OG-OG1 3.11Å; Y431-T484 HydrophobicContact CD2-CG2 3.57Å; Y431-T484 HydrophobicContact CE2-CG2 3.69Å; A437-T484 HydrophobicContact CB-CG2 4.15Å; A437-T484 VanDerWaalsContact O-CA 3.32Å; A437-T484 WeakPolarHBondContact O-CA 3.38Å; W454-T484 PolarHBondContact N-O 3.39Å; W454-T484 PolarHBondContact NE1-OG1 3.49Å; S481-T484 WeakPolarHBondContact O-CG2 3.01Å; S481-T484 PolarHBondContact O-OG1 2.91Å; S481-T484 VanDerWaalsContact O-OG1 3.13Å; L482-T484 PolarHBondContact O-N 3.05Å; L482-T484 VanDerWaalsContact O-N 3.1Å; T484-N512 PolarHBondContact O-ND2 2.79Å |
| 485 | G | 96 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 164.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A437 Y438 I439 L452 | A437-G485 PolarHBondContact O-N 2.89Å; Y438-G485 WeakPolarHBondContact CA-O 3.28Å; I439-G485 PolarHBondContact N-O 2.74Å; L452-G485 CarbonylContact O-C 3.5Å; L452-G485 WeakPolarHBondContact O-CA 3.4Å |
| 486 | I | 95.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149 | -178.8 | 79.7 | -178.4 | 0 | 0 | 0 | 110.6 | V419 Y422 L423 I439 F445 G451 L452 | V419-I486 HydrophobicContact CG2-CD1 3.71Å; V419-I486 WeakPolarHBondContact O-CD1 3.24Å; Y422-I486 HydrophobicContact CD1-CB 4.32Å; Y422-I486 HydrophobicContact CD1-CD1 3.8Å; Y422-I486 HydrophobicContact CD1-CG2 4.07Å; Y422-I486 HydrophobicContact CE1-CG2 4.48Å; L423-I486 HydrophobicContact CB-CD1 4.38Å; L423-I486 HydrophobicContact CB-CG2 3.98Å; L423-I486 HydrophobicContact CD1-CG2 3.89Å; I439-I486 HydrophobicContact CG2-CB 4.04Å; I439-I486 HydrophobicContact CG2-CG2 3.52Å; I439-I486 VanDerWaalsContact O-CA 3.31Å; I439-I486 WeakPolarHBondContact O-CA 3.35Å; F445-I486 HydrophobicContact CE2-CD1 4.07Å; F445-I486 HydrophobicContact CZ-CD1 4.11Å; G451-I486 VanDerWaalsContact CA-O 3.29Å; G451-I486 WeakPolarHBondContact CA-O 3.09Å; L452-I486 HydrophobicContact CB-CD1 4.14Å; L452-I486 HydrophobicContact CB-CG1 4.02Å; L452-I486 PolarHBondContact N-O 2.81Å; L452-I486 VanDerWaalsContact N-O 3.14Å; L452-I486 PolarHBondContact O-N 2.56Å |
| 487 | V | 94.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.7 | 173.6 | 178 | 0 | 0 | 0 | 0 | 109.5 | Y438 I439 F440 T441 I450 T504 F505 E508 | Y438-V487 HydrophobicContact CD1-CG2 4.24Å; Y438-V487 HydrophobicContact CE1-CG2 4.29Å; I439-V487 PolarHBondContact O-N 2.8Å; F440-V487 CarbonylContact C-O 3.49Å; F440-V487 VanDerWaalsContact CA-O 3.3Å; F440-V487 WeakPolarHBondContact CA-O 3.47Å; F440-V487 HydrophobicContact CD1-CB 4.06Å; F440-V487 HydrophobicContact CD1-CG1 4.21Å; F440-V487 HydrophobicContact CE1-CB 3.98Å; F440-V487 HydrophobicContact CE1-CG1 4Å; F440-V487 HydrophobicContact CE1-CG2 4.49Å; F440-V487 HydrophobicContact CZ-CB 4.39Å; F440-V487 HydrophobicContact CZ-CG2 4.48Å; T441-V487 PolarHBondContact N-O 3.01Å; I450-V487 WeakPolarHBondContact O-CA 2.97Å; V487-T504 HydrophobicContact CG1-CG2 4.36Å; V487-F505 HydrophobicContact CG2-CB 4.31Å; V487-F505 HydrophobicContact CG2-CD2 4.13Å; V487-E508 HydrophobicContact CG2-CG 4.43Å |
| 488 | T | 92.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.5 | 169.1 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | T441 R443 F445 I450 L490 | T441-T488 WeakPolarHBondContact O-CA 3.34Å; T441-T488 PolarHBondContact O-OG1 2.85Å; R443-T488 PolarHBondContact N-OG1 2.81Å; R443-T488 WeakPolarHBondContact O-CB 3.47Å; R443-T488 WeakPolarHBondContact O-CG2 3.43Å; R443-T488 PolarHBondContact O-OG1 3.42Å; F445-T488 HydrophobicContact CD2-CG2 3.72Å; F445-T488 HydrophobicContact CE2-CG2 4.05Å; I450-T488 HydrophobicContact CB-CG2 4.12Å; I450-T488 HydrophobicContact CG2-CG2 4.19Å; I450-T488 PolarHBondContact O-N 2.84Å; T488-L490 WeakPolarHBondContact CG2-O 3.35Å; T488-L490 PolarHBondContact OG1-N 3.09Å; T488-L490 PolarHBondContact OG1-O 3.02Å |
| 489 | L | 88.6 | Confident | 82.7 | Confident | 15 Ų | 15 | 20.3 Ų | 20.3 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -96.6 | 9.5 | 176.1 | -52.3 | -180 | 0 | 0 | 0 | 112.3 | L288 I312 F440 T441 Y442 K495 V496 | L288-L489 HydrophobicContact CD1-CD1 3.99Å; L288-L489 HydrophobicContact CD2-CD1 4.48Å; I312-L489 HydrophobicContact CD1-CD1 4.3Å; I312-L489 HydrophobicContact CG2-CD1 3.92Å; F440-L489 HydrophobicContact CD1-CD2 4.49Å; T441-L489 PolarHBondContact O-N 3.27Å; Y442-L489 HydrophobicContact CD2-CB 3.95Å; Y442-L489 HydrophobicContact CE2-CB 4.19Å; L489-K495 WeakPolarHBondContact O-CA 3.43Å; L489-V496 PolarHBondContact O-N 2.85Å |
| 490 | L | 81.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 17 Ų | 17 | 11% | 0.105 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | -178.4 | -179.3 | 61.2 | 0 | 0 | 0 | 110.4 | Y442 D444 T488 S494 | Y442-L490 HydrophobicContact CD1-CB 3.99Å; Y442-L490 HydrophobicContact CD1-CD1 4.41Å; Y442-L490 HydrophobicContact CD1-CD2 3.74Å; Y442-L490 HydrophobicContact CD1-CG 4.27Å; Y442-L490 HydrophobicContact CD2-CB 4.35Å; Y442-L490 HydrophobicContact CE1-CB 3.95Å; Y442-L490 HydrophobicContact CE1-CD1 3.65Å; Y442-L490 HydrophobicContact CE1-CD2 3.75Å; Y442-L490 HydrophobicContact CE1-CG 4Å; Y442-L490 HydrophobicContact CE2-CB 4.31Å; Y442-L490 HydrophobicContact CG-CB 4.17Å; Y442-L490 VanDerWaalsContact O-CD2 3.3Å; Y442-L490 WeakPolarHBondContact O-CD2 3.26Å; D444-L490 HydrophobicContact CB-CD2 3.88Å; D444-L490 HydrophobicContact CB-CG 4.03Å; T488-L490 WeakPolarHBondContact CG2-O 3.35Å; T488-L490 PolarHBondContact OG1-N 3.09Å; T488-L490 PolarHBondContact OG1-O 3.02Å; L490-S494 WeakPolarHBondContact CA-O 3.37Å; L490-S494 WeakPolarHBondContact CD1-O 3.21Å |
| 491 | N | 71.3 | Confident | 82 | Confident | 27 Ų | 27 | 16.8 Ų | 16.8 | 14% | 0.144 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 129.5 | 173.7 | -165.7 | -1.1 | 0 | 0 | 0 | 111.2 | G448 I450 G493 S494 V496 | G448-N491 WeakPolarHBondContact CA-OD1 3.22Å; G448-N491 PolarHBondContact O-ND2 3.05Å; I450-N491 HydrophobicContact CG2-CB 3.64Å; I450-N491 VanDerWaalsContact CG2-ND2 3.32Å; I450-N491 WeakPolarHBondContact CG2-ND2 3.45Å; N491-G493 PolarHBondContact O-N 3.02Å; N491-S494 PolarHBondContact N-O 2.87Å; N491-S494 PolarHBondContact O-N 2.89Å; N491-V496 HydrophobicContact CB-CG2 3.87Å |
| 492 | Y | 63.4 | Low | 81.9 | Confident | 63 Ų | 63 | 17 Ų | 17 | 25% | 0.247 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 40.5 | -172.8 | -48.7 | -57.6 | 0 | 0 | 0 | 113.1 | V181 L195 D444 G447 G448 S494 | V181-Y492 VanDerWaalsContact CG1-O 3.27Å; V181-Y492 WeakPolarHBondContact CG1-O 3.43Å; V181-Y492 WeakPolarHBondContact CG2-O 3.09Å; L195-Y492 WeakPolarHBondContact CB-OH 3.32Å; L195-Y492 HydrophobicContact CD2-CE1 4.37Å; L195-Y492 HydrophobicContact CD2-CE2 4.28Å; L195-Y492 VanDerWaalsContact CD2-OH 3.28Å; L195-Y492 WeakPolarHBondContact CD2-OH 3.36Å; L195-Y492 HydrophobicContact CG-CE1 4.38Å; L195-Y492 VanDerWaalsContact CG-OH 3.29Å; L195-Y492 WeakPolarHBondContact CG-OH 3.43Å; D444-Y492 WeakPolarHBondContact OD1-CA 3.37Å; D444-Y492 PolarHBondContact OD1-N 3.48Å; D444-Y492 VanDerWaalsContact OD2-C 3.31Å; D444-Y492 VanDerWaalsContact OD2-CA 3.27Å; D444-Y492 WeakPolarHBondContact OD2-CA 3.46Å; D444-Y492 PolarHBondContact OD2-N 3.32Å; G447-Y492 PolarHBondContact O-OH 2.8Å; G448-Y492 WeakPolarHBondContact CA-OH 3.28Å; Y492-S494 VanDerWaalsContact C-N 3.29Å; Y492-S494 PolarHBondContact O-N 2.82Å |
| 493 | G | 64.9 | Low | 81.5 | Confident | 53 Ų | 53 | 17.3 Ų | 17.3 | 55% | 0.546 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D444 N491 | D444-G493 PolarHBondContact OD2-N 2.82Å; N491-G493 PolarHBondContact O-N 3.02Å |
| 494 | S | 61.7 | Low | 81.2 | Confident | 22 Ų | 22 | 17.5 Ų | 17.5 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 144.3 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 113.7 | P179 L490 N491 Y492 V496 | P179-S494 VanDerWaalsContact CG-CB 3.42Å; L490-S494 WeakPolarHBondContact CA-O 3.37Å; L490-S494 WeakPolarHBondContact CD1-O 3.21Å; N491-S494 PolarHBondContact N-O 2.87Å; N491-S494 PolarHBondContact O-N 2.89Å; Y492-S494 VanDerWaalsContact C-N 3.29Å; Y492-S494 PolarHBondContact O-N 2.82Å; S494-V496 PolarHBondContact O-N 2.86Å |
| 495 | K | 72.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 17.5 Ų | 17.5 | 18% | 0.183 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 127 | 172 | -178.4 | -170.7 | 166.7 | -172 | 0 | 109.5 | E154 Y158 Y159 L489 | E154-K495 IonicContact OE2-NZ 2.74Å; E154-K495 PolarHBondContact OE2-NZ 3.29Å; Y158-K495 VanDerWaalsContact CD2-NZ 3.27Å; Y159-K495 PolarHBondContact OH-NZ 3Å; L489-K495 WeakPolarHBondContact O-CA 3.43Å |
| 496 | V | 73.6 | Confident | 81.1 | Confident | 14 Ų | 14 | 17.5 Ų | 17.5 | 9% | 0.085 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 132.4 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | I450 L489 N491 S494 T498 V500 | I450-V496 HydrophobicContact CD1-CG1 4.22Å; I450-V496 HydrophobicContact CG2-CG2 4.18Å; L489-V496 PolarHBondContact O-N 2.85Å; N491-V496 HydrophobicContact CB-CG2 3.87Å; S494-V496 PolarHBondContact O-N 2.86Å; V496-T498 PolarHBondContact O-N 2.8Å; V496-V500 HydrophobicContact CG1-CB 3.93Å; V496-V500 HydrophobicContact CG1-CG1 3.98Å |
| 497 | A | 70.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 17.7 Ų | 17.7 | 20% | 0.198 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -64 | 136.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V176 K499 V500 S501 | V176-A497 HydrophobicContact CG1-CB 3.76Å; A497-K499 PolarHBondContact O-N 3.42Å; A497-K499 VanDerWaalsContact O-N 3.09Å; A497-V500 HydrophobicContact CB-CG2 4.41Å; A497-V500 WeakPolarHBondContact O-CA 3.42Å; A497-V500 WeakPolarHBondContact O-CB 3.42Å; A497-V500 PolarHBondContact O-N 3.05Å; A497-S501 PolarHBondContact O-N 2.7Å; A497-S501 VanDerWaalsContact O-N 3.09Å |
| 498 | T | 79.1 | Confident | 81 | Confident | 14 Ų | 14 | 17.8 Ų | 17.8 | 9% | 0.086 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.6 | -35.8 | -170.6 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | E154 V496 V500 S501 Q502 | E154-T498 WeakPolarHBondContact OE1-CB 3.48Å; E154-T498 PolarHBondContact OE1-OG1 2.85Å; E154-T498 PolarHBondContact OE2-OG1 3.41Å; V496-T498 PolarHBondContact O-N 2.8Å; T498-V500 VanDerWaalsContact C-N 3.35Å; T498-V500 PolarHBondContact O-N 3.43Å; T498-S501 PolarHBondContact O-N 3.2Å; T498-S501 PolarHBondContact O-OG 3.44Å; T498-Q502 HydrophobicContact CG2-CG 4.49Å; T498-Q502 WeakPolarHBondContact O-CB 3.28Å; T498-Q502 WeakPolarHBondContact O-CG 3.44Å; T498-Q502 PolarHBondContact O-N 3.5Å |
| 499 | K | 75.9 | Confident | 81.1 | Confident | 26 Ų | 26 | 17.7 Ų | 17.7 | 11% | 0.113 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 172.2 | -170.7 | -179.7 | -175.1 | -177.1 | 0 | 113.1 | F152 S173 A497 L503 G548 | F152-K499 HydrophobicContact CE1-CB 4.37Å; F152-K499 HydrophobicContact CE2-CB 3.99Å; F152-K499 HydrophobicContact CE2-CD 4.06Å; F152-K499 HydrophobicContact CE2-CG 4.26Å; F152-K499 HydrophobicContact CZ-CB 3.64Å; F152-K499 HydrophobicContact CZ-CD 4.15Å; F152-K499 HydrophobicContact CZ-CG 3.88Å; S173-K499 PolarHBondContact OG-NZ 2.98Å; A497-K499 PolarHBondContact O-N 3.42Å; A497-K499 VanDerWaalsContact O-N 3.09Å; K499-L503 WeakPolarHBondContact O-CG 3.39Å; K499-L503 PolarHBondContact O-N 2.6Å; K499-L503 VanDerWaalsContact O-N 3.17Å; K499-G548 WeakPolarHBondContact CE-O 3.39Å; K499-G548 PolarHBondContact NZ-O 2.98Å |
| 500 | V | 77.9 | Confident | 81.5 | Confident | 29 Ų | 29 | 17 Ų | 17 | 18% | 0.176 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -75.2 | -40.8 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | I450 V496 A497 T498 Q502 L503 T504 | I450-V500 HydrophobicContact CD1-CG1 4.1Å; V496-V500 HydrophobicContact CG1-CB 3.93Å; V496-V500 HydrophobicContact CG1-CG1 3.98Å; A497-V500 HydrophobicContact CB-CG2 4.41Å; A497-V500 WeakPolarHBondContact O-CA 3.42Å; A497-V500 WeakPolarHBondContact O-CB 3.42Å; A497-V500 PolarHBondContact O-N 3.05Å; T498-V500 VanDerWaalsContact C-N 3.35Å; T498-V500 PolarHBondContact O-N 3.43Å; V500-Q502 VanDerWaalsContact C-N 3.35Å; V500-Q502 PolarHBondContact O-N 2.88Å; V500-L503 PolarHBondContact O-N 2.54Å; V500-T504 WeakPolarHBondContact O-CB 3.2Å; V500-T504 PolarHBondContact O-N 3.44Å; V500-T504 PolarHBondContact O-OG1 3.26Å |
| 501 | S | 85.7 | Confident | 82 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.1 | -34.2 | 176.8 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | H316 A497 T498 T504 F505 | H316-S501 PolarHBondContact CD2-O 2.76Å; H316-S501 WeakPolarHBondContact NE2-CB 3.47Å; H316-S501 PolarHBondContact NE2-OG 2.83Å; A497-S501 PolarHBondContact O-N 2.7Å; A497-S501 VanDerWaalsContact O-N 3.09Å; T498-S501 PolarHBondContact O-N 3.2Å; T498-S501 PolarHBondContact O-OG 3.44Å; S501-T504 WeakPolarHBondContact O-CB 3.34Å; S501-T504 PolarHBondContact O-N 3.05Å; S501-F505 PolarHBondContact O-N 3.29Å |
| 502 | Q | 88.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 15.1 Ų | 15.1 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 170.6 | -74.1 | 170.8 | 1.4 | 0 | 0 | 112.4 | T319 T498 V500 F505 A506 | T319-Q502 HydrophobicContact CG2-CB 3.88Å; T319-Q502 HydrophobicContact CG2-CG 4.42Å; T319-Q502 PolarHBondContact OG1-NE2 3.32Å; T319-Q502 PolarHBondContact OG1-OE1 3.27Å; T498-Q502 HydrophobicContact CG2-CG 4.49Å; T498-Q502 WeakPolarHBondContact O-CB 3.28Å; T498-Q502 WeakPolarHBondContact O-CG 3.44Å; T498-Q502 PolarHBondContact O-N 3.5Å; V500-Q502 VanDerWaalsContact C-N 3.35Å; V500-Q502 PolarHBondContact O-N 2.88Å; Q502-F505 PolarHBondContact O-N 2.91Å; Q502-A506 PolarHBondContact O-N 3.01Å; Q502-A506 VanDerWaalsContact O-N 3.12Å |
| 503 | L | 86.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 12.2 Ų | 12.2 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.6 | -33.2 | 174.7 | -71.2 | 176.1 | 0 | 0 | 0 | 112.7 | I323 K499 V500 A506 H507 I546 N553 | I323-L503 HydrophobicContact CD1-CD2 3.91Å; K499-L503 WeakPolarHBondContact O-CG 3.39Å; K499-L503 PolarHBondContact O-N 2.6Å; K499-L503 VanDerWaalsContact O-N 3.17Å; V500-L503 PolarHBondContact O-N 2.54Å; L503-A506 PolarHBondContact O-N 3.28Å; L503-H507 PolarHBondContact O-N 2.9Å; L503-I546 HydrophobicContact CB-CD1 4.22Å; L503-I546 HydrophobicContact CD1-CD1 4.17Å; L503-I546 HydrophobicContact CD1-CG1 4.38Å; L503-N553 HydrophobicContact CD1-CB 4.46Å; L503-N553 WeakPolarHBondContact CD2-O 3.33Å |
| 504 | T | 89.1 | Confident | 86 | Confident | 4 Ų | 4 | 10.1 Ų | 10.1 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 172.5 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | I450 V487 V500 S501 A506 H507 E508 | I450-T504 HydrophobicContact CB-CG2 4.45Å; I450-T504 HydrophobicContact CD1-CG2 4.11Å; I450-T504 WeakPolarHBondContact CD1-OG1 2.97Å; I450-T504 HydrophobicContact CG1-CG2 3.81Å; V487-T504 HydrophobicContact CG1-CG2 4.36Å; V500-T504 WeakPolarHBondContact O-CB 3.2Å; V500-T504 PolarHBondContact O-N 3.44Å; V500-T504 PolarHBondContact O-OG1 3.26Å; S501-T504 WeakPolarHBondContact O-CB 3.34Å; S501-T504 PolarHBondContact O-N 3.05Å; T504-A506 VanDerWaalsContact C-N 3.29Å; T504-A506 PolarHBondContact O-N 3.46Å; T504-H507 WeakPolarHBondContact O-CB 3.49Å; T504-H507 PolarHBondContact O-N 2.89Å; T504-E508 WeakPolarHBondContact O-CG 3.21Å; T504-E508 PolarHBondContact O-N 3.37Å |
| 505 | F | 94.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 9 Ų | 9 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 174.8 | -178.9 | -122.2 | 0 | 0 | 0 | 111.8 | L280 H316 V317 A320 Y438 F440 V487 S501 Q502 H507 L509 | L280-F505 HydrophobicContact CD1-CZ 4.37Å; H316-F505 HydrophobicContact CB-CD1 3.8Å; H316-F505 HydrophobicContact CB-CE1 4.27Å; H316-F505 HydrophobicContact CB-CG 4.31Å; H316-F505 WeakPolarHBondContact O-CD1 3.41Å; V317-F505 HydrophobicContact CG2-CE1 4.18Å; V317-F505 HydrophobicContact CG2-CZ 4.44Å; A320-F505 HydrophobicContact CB-CD1 3.9Å; A320-F505 HydrophobicContact CB-CE1 3.88Å; Y438-F505 AromaticContact CD1-CD2 3.9Å; Y438-F505 HydrophobicContact CD1-CD2 3.9Å; Y438-F505 AromaticContact CD1-CE2 3.69Å; Y438-F505 HydrophobicContact CD1-CE2 3.69Å; Y438-F505 HydrophobicContact CD2-CE2 4.14Å; Y438-F505 AromaticContact CE1-CD2 3.96Å; Y438-F505 HydrophobicContact CE1-CD2 3.96Å; Y438-F505 AromaticContact CE1-CE2 3.96Å; Y438-F505 HydrophobicContact CE1-CE2 3.96Å; Y438-F505 HydrophobicContact CE2-CE2 4.41Å; Y438-F505 HydrophobicContact CG-CD2 4.46Å; Y438-F505 AromaticContact CG-CE2 3.79Å; Y438-F505 HydrophobicContact CG-CE2 3.79Å; F440-F505 HydrophobicContact CE2-CD2 4.36Å; F440-F505 HydrophobicContact CE2-CE2 4.28Å; F440-F505 AromaticContact CZ-CD2 3.89Å; F440-F505 HydrophobicContact CZ-CD2 3.89Å; F440-F505 HydrophobicContact CZ-CE2 4.18Å; F440-F505 HydrophobicContact CZ-CG 4.22Å; V487-F505 HydrophobicContact CG2-CB 4.31Å; V487-F505 HydrophobicContact CG2-CD2 4.13Å; S501-F505 PolarHBondContact O-N 3.29Å; Q502-F505 PolarHBondContact O-N 2.91Å; F505-H507 VanDerWaalsContact C-N 3.35Å; F505-H507 PolarHBondContact O-N 3.33Å; F505-L509 HydrophobicContact CD1-CD1 3.99Å; F505-L509 HydrophobicContact CD2-CD1 4.49Å; F505-L509 HydrophobicContact CD2-CG 4.43Å; F505-L509 HydrophobicContact CE1-CD1 3.71Å; F505-L509 HydrophobicContact CE2-CD1 4.23Å; F505-L509 HydrophobicContact CE2-CD2 4.34Å; F505-L509 HydrophobicContact CE2-CG 4.18Å; F505-L509 HydrophobicContact CG-CD1 4.38Å; F505-L509 HydrophobicContact CZ-CD1 3.84Å; F505-L509 HydrophobicContact CZ-CD2 4.33Å; F505-L509 HydrophobicContact CZ-CG 4.24Å; F505-L509 WeakPolarHBondContact O-CB 3.45Å; F505-L509 WeakPolarHBondContact O-CG 3.32Å; F505-L509 PolarHBondContact O-N 3.07Å |
| 506 | A | 94 | Very high | 88 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.8 | -31.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I323 Y324 Q502 L503 T504 G510 | I323-A506 HydrophobicContact CD1-CB 3.93Å; Y324-A506 PolarHBondContact OH-O 2.88Å; Q502-A506 PolarHBondContact O-N 3.01Å; Q502-A506 VanDerWaalsContact O-N 3.12Å; L503-A506 PolarHBondContact O-N 3.28Å; T504-A506 VanDerWaalsContact C-N 3.29Å; T504-A506 PolarHBondContact O-N 3.46Å; A506-G510 PolarHBondContact O-N 3.09Å |
| 507 | H | 92.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.2 | -47.7 | 174.6 | -179.5 | 108.3 | 0 | 0 | 0 | 112.1 | L503 T504 F505 L509 G510 H511 H517 I540 M541 F542 | L503-H507 PolarHBondContact O-N 2.9Å; T504-H507 WeakPolarHBondContact O-CB 3.49Å; T504-H507 PolarHBondContact O-N 2.89Å; F505-H507 VanDerWaalsContact C-N 3.35Å; F505-H507 PolarHBondContact O-N 3.33Å; H507-L509 VanDerWaalsContact C-N 3.35Å; H507-L509 PolarHBondContact O-N 3.29Å; H507-G510 VanDerWaalsContact O-CA 3.3Å; H507-G510 WeakPolarHBondContact O-CA 3.41Å; H507-G510 PolarHBondContact O-N 2.77Å; H507-H511 AromaticContact CD2-NE2 3.9Å; H507-H511 AromaticContact NE2-NE2 3.44Å; H507-H511 PolarHBondContact NE2-NE2 3.11Å; H507-H511 PolarHBondContact O-N 2.87Å; H507-H517 AromaticContact CE1-CD2 3.41Å; H507-H517 PolarHBondContact CE1-CD2 3.43Å; H507-H517 VanDerWaalsContact CE1-CD2 3.41Å; H507-H517 AromaticContact CE1-NE2 3.33Å; H507-H517 PolarHBondContact CE1-NE2 3.13Å; H507-H517 VanDerWaalsContact CE1-NE2 3.33Å; H507-H517 AromaticContact NE2-CD2 3.5Å; H507-H517 AromaticContact NE2-NE2 2.95Å; H507-H517 PolarHBondContact NE2-NE2 3.39Å; H507-I540 HydrophobicContact CB-CG2 4.18Å; H507-I540 PolarHBondContact ND1-O 2.94Å; H507-M541 HydrophobicContact CB-SD 4.48Å; H507-M541 WeakPolarHBondContact O-CE 3.23Å; H507-F542 PolarHBondContact CE1-O 3.44Å; H507-F542 VanDerWaalsContact CE1-O 3.26Å |
| 508 | E | 95.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 177.4 | -61.1 | -45.2 | 140.4 | 0 | 0 | 111.8 | C198 Y438 G451 L452 A453 V487 T504 G510 H511 N512 | C198-E508 PolarHBondContact SG-OE1 2.99Å; Y438-E508 HydrophobicContact CE1-CB 3.81Å; Y438-E508 VanDerWaalsContact OH-CB 3.31Å; Y438-E508 WeakPolarHBondContact OH-CB 3.28Å; Y438-E508 PolarHBondContact OH-O 2.8Å; Y438-E508 VanDerWaalsContact OH-O 3.07Å; G451-E508 VanDerWaalsContact C-CD 3.4Å; G451-E508 WeakPolarHBondContact CA-OE1 3.34Å; L452-E508 WeakPolarHBondContact CA-OE2 3.3Å; L452-E508 VanDerWaalsContact N-CD 3.33Å; L452-E508 PolarHBondContact N-OE2 3.14Å; A453-E508 HydrophobicContact CB-CB 3.92Å; A453-E508 WeakPolarHBondContact CB-OE2 3.17Å; A453-E508 PolarHBondContact N-OE2 2.83Å; V487-E508 HydrophobicContact CG2-CG 4.43Å; T504-E508 WeakPolarHBondContact O-CG 3.21Å; T504-E508 PolarHBondContact O-N 3.37Å; E508-G510 VanDerWaalsContact C-N 3.27Å; E508-G510 PolarHBondContact O-N 2.83Å; E508-H511 WeakPolarHBondContact O-CB 3.09Å; E508-H511 PolarHBondContact O-N 3.01Å; E508-H511 IonicContact OE2-CD2 2.65Å; E508-N512 PolarHBondContact O-N 3.5Å; E508-N512 VanDerWaalsContact O-N 3.09Å |
| 509 | L | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 166.8 | -71.1 | 172 | 0 | 0 | 0 | 110.4 | A320 Y324 F343 L436 Y438 F505 H507 H511 N512 F513 | A320-L509 HydrophobicContact CB-CD1 3.69Å; Y324-L509 HydrophobicContact CE2-CB 4.23Å; Y324-L509 WeakPolarHBondContact OH-CB 3.48Å; F343-L509 HydrophobicContact CE1-CD1 4.34Å; F343-L509 HydrophobicContact CE1-CD2 4.24Å; F343-L509 HydrophobicContact CE2-CD1 4.09Å; F343-L509 HydrophobicContact CZ-CD1 3.85Å; F343-L509 HydrophobicContact CZ-CD2 4.39Å; L436-L509 HydrophobicContact CD1-CD2 3.45Å; L436-L509 VanDerWaalsContact CD1-CD2 3.45Å; Y438-L509 HydrophobicContact CE2-CD2 3.91Å; Y438-L509 PolarHBondContact OH-N 3.36Å; F505-L509 HydrophobicContact CD1-CD1 3.99Å; F505-L509 HydrophobicContact CD2-CD1 4.49Å; F505-L509 HydrophobicContact CD2-CG 4.43Å; F505-L509 HydrophobicContact CE1-CD1 3.71Å; F505-L509 HydrophobicContact CE2-CD1 4.23Å; F505-L509 HydrophobicContact CE2-CD2 4.34Å; F505-L509 HydrophobicContact CE2-CG 4.18Å; F505-L509 HydrophobicContact CG-CD1 4.38Å; F505-L509 HydrophobicContact CZ-CD1 3.84Å; F505-L509 HydrophobicContact CZ-CD2 4.33Å; F505-L509 HydrophobicContact CZ-CG 4.24Å; F505-L509 WeakPolarHBondContact O-CB 3.45Å; F505-L509 WeakPolarHBondContact O-CG 3.32Å; F505-L509 PolarHBondContact O-N 3.07Å; H507-L509 VanDerWaalsContact C-N 3.35Å; H507-L509 PolarHBondContact O-N 3.29Å; L509-H511 VanDerWaalsContact C-N 3.29Å; L509-H511 PolarHBondContact O-N 3.44Å; L509-N512 CarbonylContact O-C 3.58Å; L509-N512 WeakPolarHBondContact O-CA 3.47Å; L509-N512 PolarHBondContact O-N 2.95Å; L509-F513 VanDerWaalsContact O-CD2 3.3Å; L509-F513 WeakPolarHBondContact O-CD2 3.17Å; L509-F513 PolarHBondContact O-N 3.49Å |
| 510 | G | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.7 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y324 A506 H507 E508 F513 G514 A515 | Y324-G510 VanDerWaalsContact OH-CA 3.27Å; Y324-G510 WeakPolarHBondContact OH-CA 3.22Å; Y324-G510 PolarHBondContact OH-N 3.07Å; A506-G510 PolarHBondContact O-N 3.09Å; H507-G510 VanDerWaalsContact O-CA 3.3Å; H507-G510 WeakPolarHBondContact O-CA 3.41Å; H507-G510 PolarHBondContact O-N 2.77Å; E508-G510 VanDerWaalsContact C-N 3.27Å; E508-G510 PolarHBondContact O-N 2.83Å; G510-F513 CarbonylContact O-C 3.57Å; G510-F513 PolarHBondContact O-N 3.29Å; G510-G514 PolarHBondContact O-N 2.75Å; G510-G514 VanDerWaalsContact O-N 3.15Å; G510-A515 WeakPolarHBondContact O-CB 3.32Å; G510-A515 PolarHBondContact O-N 3.44Å |
| 511 | H | 93.5 | Very high | 87.8 | Confident | 8 Ų | 8 | 14.6 Ų | 14.6 | 4% | 0.037 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 170.9 | -76.1 | -30.5 | 0 | 0 | 0 | 112.9 | C198 A453 V455 A456 H507 E508 L509 F513 G514 A515 H517 M541 | C198-H511 PolarHBondContact SG-NE2 3.23Å; A453-H511 HydrophobicContact CB-CB 4.32Å; V455-H511 WeakPolarHBondContact CA-O 3.32Å; V455-H511 HydrophobicContact CG2-CB 4Å; A456-H511 PolarHBondContact N-O 3.19Å; H507-H511 AromaticContact CD2-NE2 3.9Å; H507-H511 AromaticContact NE2-NE2 3.44Å; H507-H511 PolarHBondContact NE2-NE2 3.11Å; H507-H511 PolarHBondContact O-N 2.87Å; E508-H511 WeakPolarHBondContact O-CB 3.09Å; E508-H511 PolarHBondContact O-N 3.01Å; E508-H511 IonicContact OE2-CD2 2.65Å; L509-H511 VanDerWaalsContact C-N 3.29Å; L509-H511 PolarHBondContact O-N 3.44Å; H511-F513 PolarHBondContact O-N 2.87Å; H511-G514 WeakPolarHBondContact O-CA 3.39Å; H511-G514 PolarHBondContact O-N 2.94Å; H511-A515 PolarHBondContact ND1-O 3.37Å; H511-H517 AromaticContact CE1-CD2 3.47Å; H511-H517 PolarHBondContact CE1-CD2 3.26Å; H511-H517 VanDerWaalsContact CE1-CD2 3.47Å; H511-H517 AromaticContact CE1-CE1 3.89Å; H511-H517 AromaticContact CE1-NE2 3.28Å; H511-H517 PolarHBondContact CE1-NE2 3.12Å; H511-H517 VanDerWaalsContact CE1-NE2 3.28Å; H511-H517 AromaticContact NE2-CD2 3.69Å; H511-H517 AromaticContact NE2-CE1 3.61Å; H511-H517 AromaticContact NE2-NE2 3.01Å; H511-H517 PolarHBondContact NE2-NE2 3.37Å; H511-M541 VanDerWaalsContact CE1-CE 3.42Å; H511-M541 WeakPolarHBondContact CE1-CE 3.04Å; H511-M541 VanDerWaalsContact ND1-CE 3.29Å; H511-M541 WeakPolarHBondContact ND1-CE 3.45Å |
| 512 | N | 96.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.2 | -25.6 | 176.3 | -68.4 | 151 | 0 | 0 | 0 | 113.6 | L436 Y438 W454 A456 G463 V464 T484 E508 L509 G514 | L436-N512 HydrophobicContact CD1-CB 3.77Å; L436-N512 HydrophobicContact CD2-CB 3.61Å; L436-N512 HydrophobicContact CG-CB 4.38Å; Y438-N512 WeakPolarHBondContact CE2-OD1 3.48Å; Y438-N512 VanDerWaalsContact CZ-OD1 3.32Å; Y438-N512 PolarHBondContact OH-OD1 2.78Å; W454-N512 PolarHBondContact O-ND2 2.94Å; A456-N512 WeakPolarHBondContact CB-O 3.48Å; G463-N512 WeakPolarHBondContact CA-O 3.11Å; V464-N512 PolarHBondContact N-O 2.95Å; T484-N512 PolarHBondContact O-ND2 2.79Å; E508-N512 PolarHBondContact O-N 3.5Å; E508-N512 VanDerWaalsContact O-N 3.09Å; L509-N512 CarbonylContact O-C 3.58Å; L509-N512 WeakPolarHBondContact O-CA 3.47Å; L509-N512 PolarHBondContact O-N 2.95Å; N512-G514 VanDerWaalsContact C-N 3.28Å |
| 513 | F | 95.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.5 | 170.6 | -80.4 | -97 | 0 | 0 | 0 | 113.1 | C278 Y324 V341 F343 L436 V464 L509 G510 H511 I564 L567 L568 F579 | C278-F513 HydrophobicContact CB-CZ 4.31Å; Y324-F513 HydrophobicContact CE1-CD1 4.4Å; Y324-F513 AromaticContact CE1-CD2 3.83Å; Y324-F513 HydrophobicContact CE1-CD2 3.83Å; Y324-F513 HydrophobicContact CE1-CE2 4.05Å; Y324-F513 HydrophobicContact CE1-CG 4.03Å; Y324-F513 HydrophobicContact CE1-CZ 4.43Å; V341-F513 HydrophobicContact CG1-CE1 3.98Å; V341-F513 HydrophobicContact CG1-CZ 3.78Å; V341-F513 HydrophobicContact CG2-CE1 4.04Å; F343-F513 AromaticContact CE1-CE2 3.85Å; F343-F513 HydrophobicContact CE1-CE2 3.85Å; F343-F513 HydrophobicContact CE1-CZ 4.05Å; F343-F513 AromaticContact CZ-CE2 3.88Å; F343-F513 HydrophobicContact CZ-CE2 3.88Å; F343-F513 HydrophobicContact CZ-CZ 4.18Å; L436-F513 HydrophobicContact CD1-CE2 4.08Å; V464-F513 HydrophobicContact CG1-CD1 4.19Å; V464-F513 HydrophobicContact CG1-CD2 3.79Å; V464-F513 HydrophobicContact CG1-CE1 4.01Å; V464-F513 HydrophobicContact CG1-CE2 3.6Å; V464-F513 HydrophobicContact CG1-CG 4.09Å; V464-F513 HydrophobicContact CG1-CZ 3.7Å; L509-F513 VanDerWaalsContact O-CD2 3.3Å; L509-F513 WeakPolarHBondContact O-CD2 3.17Å; L509-F513 PolarHBondContact O-N 3.49Å; G510-F513 CarbonylContact O-C 3.57Å; G510-F513 PolarHBondContact O-N 3.29Å; H511-F513 PolarHBondContact O-N 2.87Å; F513-I564 HydrophobicContact CB-CD1 4.41Å; F513-I564 HydrophobicContact CB-CG1 3.98Å; F513-I564 HydrophobicContact CB-CG2 4.14Å; F513-I564 HydrophobicContact CD1-CG2 4.2Å; F513-I564 WeakPolarHBondContact O-CA 3.44Å; F513-I564 WeakPolarHBondContact O-CG1 3.4Å; F513-L567 VanDerWaalsContact O-CD2 3.24Å; F513-L567 WeakPolarHBondContact O-CD2 3.49Å; F513-L568 HydrophobicContact CD1-CD2 4.29Å; F513-L568 HydrophobicContact CE1-CD2 4.17Å; F513-F579 AromaticContact CE1-CE1 3.98Å; F513-F579 HydrophobicContact CE1-CE1 3.98Å; F513-F579 AromaticContact CE1-CZ 3.71Å; F513-F579 HydrophobicContact CE1-CZ 3.71Å; F513-F579 HydrophobicContact CZ-CE1 4.13Å; F513-F579 HydrophobicContact CZ-CZ 4.12Å |
| 514 | G | 91.3 | Very high | 83.7 | Confident | 9 Ų | 9 | 34 Ų | 34 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 2.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A456 G510 H511 N512 | A456-G514 WeakPolarHBondContact O-CA 3.26Å; G510-G514 PolarHBondContact O-N 2.75Å; G510-G514 VanDerWaalsContact O-N 3.15Å; H511-G514 WeakPolarHBondContact O-CA 3.39Å; H511-G514 PolarHBondContact O-N 2.94Å; N512-G514 VanDerWaalsContact C-N 3.28Å |
| 515 | A | 90.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 132.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G510 H511 M541 I564 | G510-A515 WeakPolarHBondContact O-CB 3.32Å; G510-A515 PolarHBondContact O-N 3.44Å; H511-A515 PolarHBondContact ND1-O 3.37Å; A515-M541 HydrophobicContact CB-CE 4.17Å; A515-M541 HydrophobicContact CB-CG 3.88Å; A515-M541 HydrophobicContact CB-SD 4.33Å; A515-I564 HydrophobicContact CB-CD1 4.24Å; A515-I564 HydrophobicContact CB-CG1 4.15Å |
| 516 | K | 86.3 | Confident | 80.7 | Confident | 83 Ų | 83 | 44 Ų | 44 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -95.8 | 170 | 170 | -68.9 | 178.8 | -178.9 | -175.7 | 0 | 109 | V455 E457 D518 | V455-K516 HydrophobicContact CG1-CG 3.97Å; E457-K516 IonicContact OE1-NZ 2.73Å; E457-K516 PolarHBondContact OE1-NZ 3.4Å; K516-D518 PolarHBondContact O-N 2.99Å |
| 517 | H | 85.6 | Confident | 79.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 134.7 | 179.1 | -62.6 | 137.1 | 0 | 0 | 0 | 111.5 | H507 H511 N519 F520 H521 M541 A543 | H507-H517 AromaticContact CE1-CD2 3.41Å; H507-H517 PolarHBondContact CE1-CD2 3.43Å; H507-H517 VanDerWaalsContact CE1-CD2 3.41Å; H507-H517 AromaticContact CE1-NE2 3.33Å; H507-H517 PolarHBondContact CE1-NE2 3.13Å; H507-H517 VanDerWaalsContact CE1-NE2 3.33Å; H507-H517 AromaticContact NE2-CD2 3.5Å; H507-H517 AromaticContact NE2-NE2 2.95Å; H507-H517 PolarHBondContact NE2-NE2 3.39Å; H511-H517 AromaticContact CE1-CD2 3.47Å; H511-H517 PolarHBondContact CE1-CD2 3.26Å; H511-H517 VanDerWaalsContact CE1-CD2 3.47Å; H511-H517 AromaticContact CE1-CE1 3.89Å; H511-H517 AromaticContact CE1-NE2 3.28Å; H511-H517 PolarHBondContact CE1-NE2 3.12Å; H511-H517 VanDerWaalsContact CE1-NE2 3.28Å; H511-H517 AromaticContact NE2-CD2 3.69Å; H511-H517 AromaticContact NE2-CE1 3.61Å; H511-H517 AromaticContact NE2-NE2 3.01Å; H511-H517 PolarHBondContact NE2-NE2 3.37Å; H517-N519 PolarHBondContact O-N 2.89Å; H517-F520 HydrophobicContact CB-CD2 3.66Å; H517-F520 HydrophobicContact CB-CE2 3.73Å; H517-F520 HydrophobicContact CB-CG 4.32Å; H517-F520 HydrophobicContact CB-CZ 4.43Å; H517-F520 AromaticContact CG-CE2 3.86Å; H517-F520 AromaticContact ND1-CE2 3.26Å; H517-F520 VanDerWaalsContact ND1-CE2 3.26Å; H517-F520 WeakPolarHBondContact ND1-CE2 3.37Å; H517-F520 AromaticContact ND1-CZ 3.8Å; H517-F520 WeakPolarHBondContact O-CB 3.27Å; H517-F520 PolarHBondContact O-N 3.06Å; H517-H521 PolarHBondContact O-CD2 3.4Å; H517-M541 CarbonylContact C-O 3.43Å; H517-M541 WeakPolarHBondContact CA-O 3.28Å; H517-M541 WeakPolarHBondContact CB-O 3.37Å; H517-M541 PolarHBondContact CD2-O 2.96Å; H517-A543 HydrophobicContact CB-CB 3.79Å; H517-A543 WeakPolarHBondContact ND1-CB 3.48Å |
| 518 | D | 83.2 | Confident | 78.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.8 | -30.1 | -172.5 | -63.1 | -51.5 | 0 | 0 | 0 | 112.6 | K516 F520 C528 L529 Y539 M541 F542 S557 S560 | K516-D518 PolarHBondContact O-N 2.99Å; D518-F520 VanDerWaalsContact C-N 3.32Å; D518-F520 PolarHBondContact O-N 2.95Å; D518-C528 HydrophobicContact CB-CB 4.11Å; D518-C528 WeakPolarHBondContact O-CB 3.49Å; D518-L529 HydrophobicContact CB-CD2 3.76Å; D518-Y539 WeakPolarHBondContact OD2-CB 3.04Å; D518-M541 PolarHBondContact N-O 2.95Å; D518-M541 WeakPolarHBondContact OD2-CA 3.4Å; D518-M541 WeakPolarHBondContact OD2-CB 3.28Å; D518-F542 PolarHBondContact OD2-N 3.4Å; D518-S557 VanDerWaalsContact OD1-CB 3.24Å; D518-S557 WeakPolarHBondContact OD1-CB 3.07Å; D518-S557 PolarHBondContact OD1-OG 2.78Å; D518-S560 PolarHBondContact OD1-OG 3.47Å |
| 519 | N | 70.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -75.5 | -8.5 | 176.6 | 57.1 | -83.6 | 0 | 0 | 0 | 115.1 | H517 H521 L529 F542 A543 | H517-N519 PolarHBondContact O-N 2.89Å; N519-H521 VanDerWaalsContact C-N 3.35Å; N519-L529 HydrophobicContact CB-CD1 3.87Å; N519-L529 HydrophobicContact CB-CD2 4.16Å; N519-L529 HydrophobicContact CB-CG 4.38Å; N519-F542 HydrophobicContact CB-CE2 4.43Å; N519-A543 WeakPolarHBondContact OD1-CB 3.48Å; N519-A543 PolarHBondContact OD1-N 2.94Å; N519-A543 VanDerWaalsContact OD1-N 3.13Å |
| 520 | F | 68.5 | Low | 76.8 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -87.9 | -3.9 | 174.8 | -62.1 | -34.7 | 0 | 0 | 0 | 113.6 | H517 D518 E522 A799 E800 | H517-F520 HydrophobicContact CB-CD2 3.66Å; H517-F520 HydrophobicContact CB-CE2 3.73Å; H517-F520 HydrophobicContact CB-CG 4.32Å; H517-F520 HydrophobicContact CB-CZ 4.43Å; H517-F520 AromaticContact CG-CE2 3.86Å; H517-F520 AromaticContact ND1-CE2 3.26Å; H517-F520 VanDerWaalsContact ND1-CE2 3.26Å; H517-F520 WeakPolarHBondContact ND1-CE2 3.37Å; H517-F520 AromaticContact ND1-CZ 3.8Å; H517-F520 WeakPolarHBondContact O-CB 3.27Å; H517-F520 PolarHBondContact O-N 3.06Å; D518-F520 VanDerWaalsContact C-N 3.32Å; D518-F520 PolarHBondContact O-N 2.95Å; F520-E522 VanDerWaalsContact C-N 3.3Å; F520-E522 PolarHBondContact O-N 3.25Å; F520-A799 HydrophobicContact CZ-CB 4.24Å; F520-E800 HydrophobicContact CE1-CG 4.05Å |
| 521 | H | 65.4 | Low | 75.2 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | trans | -91.3 | 38.3 | -178.8 | -71.4 | -100.3 | 0 | 0 | 0 | 113.1 | H517 N519 N523 E524 C528 | H517-H521 PolarHBondContact O-CD2 3.4Å; N519-H521 VanDerWaalsContact C-N 3.35Å; H521-N523 PolarHBondContact O-N 2.83Å; H521-E524 HydrophobicContact CB-CB 4.23Å; H521-E524 HydrophobicContact CB-CG 3.81Å; H521-E524 PolarHBondContact O-N 3.47Å; H521-C528 HydrophobicContact CB-CB 4.15Å; H521-C528 WeakPolarHBondContact CB-SG 3.4Å | ||
| 522 | E | 55 | Low | 73.8 | Confident | 178 Ų | 178 | 57.7 Ų | 57.7 | 83% | 0.832 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.7 | -178.2 | -61.4 | -167.4 | 144.3 | 0 | 0 | 114.8 | F520 | F520-E522 VanDerWaalsContact C-N 3.3Å; F520-E522 PolarHBondContact O-N 3.25Å |
| 523 | N | 55.3 | Low | 71.7 | Confident | 157 Ų | 157 | 60.1 Ų | 60.1 | 84% | 0.84 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -4.8 | 179 | -62.3 | -79.6 | 0 | 0 | 0 | 114 | H521 | H521-N523 PolarHBondContact O-N 2.83Š|
| 524 | E | 63.5 | Low | 70.3 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | trans | -81.6 | 120.1 | -177.3 | -68.6 | -61.6 | 167.4 | 0 | 0 | 111.6 | H521 Y526 G527 | H521-E524 HydrophobicContact CB-CB 4.23Å; H521-E524 HydrophobicContact CB-CG 3.81Å; H521-E524 PolarHBondContact O-N 3.47Å; E524-Y526 HydrophobicContact CB-CD1 4.3Å; E524-Y526 HydrophobicContact CB-CE1 3.9Å; E524-Y526 HydrophobicContact CG-CE1 4.32Å; E524-Y526 PolarHBondContact O-N 2.69Å; E524-Y526 WeakPolarHBondContact OE2-CE1 3.43Å; E524-G527 PolarHBondContact O-N 3.32Å | ||
| 525 | S | 55.1 | Low | 68.8 | Low | 127 Ų | 127 | 63.3 Ų | 63.3 | 89% | 0.888 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.4 | -167.8 | -171.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 526 | Y | 66.4 | Low | 67.7 | Low | 90 Ų | 90 | 68.1 Ų | 68.1 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -17.1 | -178.4 | 52.6 | -77 | 0 | 0 | 0 | 113.5 | H332 E524 D558 C559 | H332-Y526 HydrophobicContact CB-CE1 4.47Å; E524-Y526 HydrophobicContact CB-CD1 4.3Å; E524-Y526 HydrophobicContact CB-CE1 3.9Å; E524-Y526 HydrophobicContact CG-CE1 4.32Å; E524-Y526 PolarHBondContact O-N 2.69Å; E524-Y526 WeakPolarHBondContact OE2-CE1 3.43Å; Y526-D558 HydrophobicContact CD2-CB 4.3Å; Y526-D558 HydrophobicContact CE2-CB 4.14Å; Y526-C559 HydrophobicContact CE2-CB 4.31Å; Y526-C559 WeakPolarHBondContact CE2-SG 3.5Å |
| 527 | G | 67.4 | Low | 66.9 | Low | 41 Ų | 41 | 64.2 Ų | 64.2 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | trans | 80.6 | 122.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E524 | E524-G527 PolarHBondContact O-N 3.32Š| ||
| 528 | C | 79.8 | Confident | 66.5 | Low | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -99.2 | -23.6 | -177.6 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | D518 H521 Y539 S557 C559 | D518-C528 HydrophobicContact CB-CB 4.11Å; D518-C528 WeakPolarHBondContact O-CB 3.49Å; H521-C528 HydrophobicContact CB-CB 4.15Å; H521-C528 WeakPolarHBondContact CB-SG 3.4Å; C528-Y539 WeakPolarHBondContact O-CD2 3.45Å; C528-Y539 WeakPolarHBondContact O-CE2 3.23Å; C528-S557 WeakPolarHBondContact O-CB 3.32Å; C528-C559 WeakPolarHBondContact CA-SG 3.35Å; C528-C559 HydrophobicContact CB-CB 3.65Å; C528-C559 WeakPolarHBondContact CB-SG 3.19Å; C528-C559 WeakPolarHBondContact SG-CB 3.21Å; C528-C559 CovalentContact SG-SG 2Å; C528-C559 PolarHBondContact SG-SG 3.05Å |
| 529 | L | 76.1 | Confident | 66.7 | Low | 76 Ų | 76 | 65.7 Ų | 65.7 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -92.7 | 144.1 | 174.7 | -64.9 | -179.4 | 0 | 0 | 0 | 110.5 | D518 N519 F542 | D518-L529 HydrophobicContact CB-CD2 3.76Å; N519-L529 HydrophobicContact CB-CD1 3.87Å; N519-L529 HydrophobicContact CB-CD2 4.16Å; N519-L529 HydrophobicContact CB-CG 4.38Å; L529-F542 HydrophobicContact CD2-CD2 3.62Å; L529-F542 HydrophobicContact CD2-CE2 3.72Å |
| 530 | P | 72 | Confident | 67.5 | Low | 21 Ų | 21 | 63.6 Ų | 63.6 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 172.9 | 163.6 | 26 | -20.1 | 0 | 0 | 0 | 110.7 | D534 G537 Y539 | P530-D534 HydrophobicContact CB-CB 3.93Å; P530-G537 WeakPolarHBondContact CG-O 3.47Å; P530-Y539 HydrophobicContact CG-CE2 4.25Å |
| 531 | S | 63.3 | Low | 68.4 | Low | 77 Ų | 77 | 59.2 Ų | 59.2 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 150.7 | 175.5 | -173 | 0 | 0 | 0 | 0 | 111.5 | D533 D534 | S531-D533 PolarHBondContact O-N 2.98Å; S531-D534 VanDerWaalsContact O-CB 3.24Å; S531-D534 WeakPolarHBondContact O-CB 3.29Å; S531-D534 PolarHBondContact O-N 3.01Å |
| 532 | I | 62.3 | Low | 69.3 | Low | 80 Ų | 80 | 58.1 Ų | 58.1 | 41% | 0.41 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -36.5 | 171.8 | -62.5 | -169.1 | 0 | 0 | 0 | 111.6 | N783 | I532-N783 HydrophobicContact CG2-CB 4.13Š|
| 533 | D | 53.4 | Low | 70 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 12 | -179.7 | -51.8 | -60 | 0 | 0 | 0 | 113 | S531 V535 H714 K735 | S531-D533 PolarHBondContact O-N 2.98Å; D533-V535 PolarHBondContact O-N 2.87Å; D533-H714 IonicContact OD1-CD2 2.73Å; D533-H714 IonicContact OD1-NE2 3.63Å; D533-K735 IonicContact OD1-NZ 1.81Å; D533-K735 PolarHBondContact OD1-NZ 2.95Å; D533-K735 IonicContact OD2-NZ 3.31Å; D533-K735 PolarHBondContact OD2-NZ 3.12Å |
| 534 | D | 64.7 | Low | 70.5 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | trans | -79.2 | 113.3 | -179.1 | -165.6 | -26.1 | 0 | 0 | 0 | 111.8 | P530 S531 R536 G537 | P530-D534 HydrophobicContact CB-CB 3.93Å; S531-D534 VanDerWaalsContact O-CB 3.24Å; S531-D534 WeakPolarHBondContact O-CB 3.29Å; S531-D534 PolarHBondContact O-N 3.01Å; D534-R536 PolarHBondContact O-N 3.27Å; D534-R536 VanDerWaalsContact OD1-CB 3.25Å; D534-R536 WeakPolarHBondContact OD1-CB 3.32Å; D534-R536 WeakPolarHBondContact OD1-CG 3.36Å; D534-R536 IonicContact OD1-CZ 2.66Å; D534-R536 PolarHBondContact OD1-N 3.45Å; D534-R536 IonicContact OD1-NE 3.95Å; D534-R536 PolarHBondContact OD1-NE 3.46Å; D534-R536 VanDerWaalsContact OD1-NE 3.07Å; D534-R536 IonicContact OD2-CZ 2.85Å; D534-R536 IonicContact OD2-NE 2.71Å; D534-R536 PolarHBondContact OD2-NE 2.93Å; D534-R536 IonicContact OD2-NH2 3.77Å; D534-R536 PolarHBondContact OD2-NH2 2.92Å; D534-G537 PolarHBondContact O-N 2.9Å | ||
| 535 | V | 61.4 | Low | 70.3 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 28% | 0.279 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.2 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | D533 G537 | D533-V535 PolarHBondContact O-N 2.87Å; V535-G537 VanDerWaalsContact C-N 3.3Å |
| 536 | R | 66.6 | Low | 70.7 | Confident | 101 Ų | 101 | 33.9 Ų | 33.9 | 38% | 0.381 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.9 | 178.8 | -60.2 | 176.8 | -62.5 | 158.7 | 6.6 | 113.9 | D534 K550 E551 N552 | D534-R536 PolarHBondContact O-N 3.27Å; D534-R536 VanDerWaalsContact OD1-CB 3.25Å; D534-R536 WeakPolarHBondContact OD1-CB 3.32Å; D534-R536 WeakPolarHBondContact OD1-CG 3.36Å; D534-R536 IonicContact OD1-CZ 2.66Å; D534-R536 PolarHBondContact OD1-N 3.45Å; D534-R536 IonicContact OD1-NE 3.95Å; D534-R536 PolarHBondContact OD1-NE 3.46Å; D534-R536 VanDerWaalsContact OD1-NE 3.07Å; D534-R536 IonicContact OD2-CZ 2.85Å; D534-R536 IonicContact OD2-NE 2.71Å; D534-R536 PolarHBondContact OD2-NE 2.93Å; D534-R536 IonicContact OD2-NH2 3.77Å; D534-R536 PolarHBondContact OD2-NH2 2.92Å; R536-K550 CarbonylContact O-C 3.26Å; R536-K550 WeakPolarHBondContact O-CB 3.09Å; R536-E551 HydrophobicContact CB-CB 4.06Å; R536-E551 WeakPolarHBondContact CD-OE2 3.45Å; R536-E551 HydrophobicContact CG-CB 4.23Å; R536-E551 WeakPolarHBondContact CG-OE2 3.44Å; R536-E551 PolarHBondContact O-N 2.8Å; R536-E551 VanDerWaalsContact O-N 3.14Å; R536-N552 WeakPolarHBondContact CB-ND2 3.26Å; R536-N552 WeakPolarHBondContact O-CB 3.28Å; R536-N552 PolarHBondContact O-N 3.01Å |
| 537 | G | 70 | Confident | 70.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | 65.8 | -172.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | P530 D534 V535 N552 | P530-G537 WeakPolarHBondContact CG-O 3.47Å; D534-G537 PolarHBondContact O-N 2.9Å; V535-G537 VanDerWaalsContact C-N 3.3Å; G537-N552 VanDerWaalsContact O-CB 3.3Å; G537-N552 WeakPolarHBondContact O-CB 3.38Å; G537-N552 PolarHBondContact O-ND2 2.92Å | ||
| 538 | N | 77.5 | Confident | 70.2 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -84.8 | 163.3 | -177.2 | -58.3 | -46.7 | 0 | 0 | 0 | 113.5 | F542 N552 N553 | N538-F542 HydrophobicContact CB-CB 3.73Å; N538-F542 HydrophobicContact CB-CD1 3.94Å; N538-F542 HydrophobicContact CB-CD2 3.81Å; N538-F542 HydrophobicContact CB-CE2 4.42Å; N538-F542 HydrophobicContact CB-CG 3.55Å; N538-F542 WeakPolarHBondContact ND2-CD1 3.45Å; N538-F542 WeakPolarHBondContact ND2-CE1 3.33Å; N538-F542 VanDerWaalsContact ND2-CZ 3.34Å; N538-F542 WeakPolarHBondContact ND2-CZ 3.36Å; N538-N552 CarbonylContact O-C 3.46Å; N538-N552 WeakPolarHBondContact O-CB 3.32Å; N538-N553 WeakPolarHBondContact O-CA 3.5Å; N538-N553 PolarHBondContact O-N 3.25Å; N538-N553 PolarHBondContact O-ND2 3.15Å | ||
| 539 | Y | 85.7 | Confident | 69.3 | Low | 35 Ų | 35 | 30.4 Ų | 30.4 | 14% | 0.137 | 17% | 0.167 | C | C | . | . | trans | -79 | 173.2 | 179.5 | -60.5 | -73.7 | 0 | 0 | 0 | 113.1 | D518 C528 P530 M541 F542 N552 K555 S557 | D518-Y539 WeakPolarHBondContact OD2-CB 3.04Å; C528-Y539 WeakPolarHBondContact O-CD2 3.45Å; C528-Y539 WeakPolarHBondContact O-CE2 3.23Å; P530-Y539 HydrophobicContact CG-CE2 4.25Å; Y539-M541 PolarHBondContact O-N 2.91Å; Y539-F542 WeakPolarHBondContact O-CB 3.43Å; Y539-F542 PolarHBondContact O-N 3.23Å; Y539-N552 WeakPolarHBondContact CA-O 3.35Å; Y539-N552 HydrophobicContact CD1-CB 3.58Å; Y539-N552 HydrophobicContact CE1-CB 3.67Å; Y539-N552 VanDerWaalsContact CE1-CG 3.41Å; Y539-N552 HydrophobicContact CG-CB 4.2Å; Y539-K555 WeakPolarHBondContact CB-O 3.46Å; Y539-K555 HydrophobicContact CD1-CB 4.27Å; Y539-S557 VanDerWaalsContact CD2-CB 3.43Å | ||
| 540 | I | 88.2 | Confident | 68.8 | Low | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -42.9 | 178.1 | -71.3 | 168.1 | 0 | 0 | 0 | 111.8 | I323 H507 F542 N553 K555 F556 | I323-I540 HydrophobicContact CG2-CD1 3.65Å; H507-I540 HydrophobicContact CB-CG2 4.18Å; H507-I540 PolarHBondContact ND1-O 2.94Å; I540-F542 VanDerWaalsContact C-N 3.27Å; I540-F542 PolarHBondContact O-N 3.44Å; I540-N553 WeakPolarHBondContact CG1-O 3.1Å; I540-K555 WeakPolarHBondContact CG1-O 3.41Å; I540-K555 PolarHBondContact N-O 3.5Å; I540-F556 HydrophobicContact CB-CD1 4.17Å; I540-F556 HydrophobicContact CB-CE1 4.08Å; I540-F556 HydrophobicContact CD1-CD1 4.4Å; I540-F556 HydrophobicContact CD1-CD2 4.31Å; I540-F556 HydrophobicContact CD1-CE1 4.19Å; I540-F556 HydrophobicContact CD1-CE2 4.1Å; I540-F556 HydrophobicContact CD1-CG 4.45Å; I540-F556 HydrophobicContact CD1-CZ 4.03Å; I540-F556 HydrophobicContact CG2-CD1 4.35Å; I540-F556 HydrophobicContact CG2-CE1 3.77Å; I540-F556 HydrophobicContact CG2-CZ 4.29Å |
| 541 | M | 87.7 | Confident | 68.7 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 24.6 | -173.4 | -58.5 | -53.5 | -57.3 | 0 | 0 | 113.8 | H507 H511 A515 H517 D518 Y539 F556 S560 | H507-M541 HydrophobicContact CB-SD 4.48Å; H507-M541 WeakPolarHBondContact O-CE 3.23Å; H511-M541 VanDerWaalsContact CE1-CE 3.42Å; H511-M541 WeakPolarHBondContact CE1-CE 3.04Å; H511-M541 VanDerWaalsContact ND1-CE 3.29Å; H511-M541 WeakPolarHBondContact ND1-CE 3.45Å; A515-M541 HydrophobicContact CB-CE 4.17Å; A515-M541 HydrophobicContact CB-CG 3.88Å; A515-M541 HydrophobicContact CB-SD 4.33Å; H517-M541 CarbonylContact C-O 3.43Å; H517-M541 WeakPolarHBondContact CA-O 3.28Å; H517-M541 WeakPolarHBondContact CB-O 3.37Å; H517-M541 PolarHBondContact CD2-O 2.96Å; D518-M541 PolarHBondContact N-O 2.95Å; D518-M541 WeakPolarHBondContact OD2-CA 3.4Å; D518-M541 WeakPolarHBondContact OD2-CB 3.28Å; Y539-M541 PolarHBondContact O-N 2.91Å; M541-F556 HydrophobicContact CG-CD1 3.87Å; M541-F556 HydrophobicContact CG-CE1 3.96Å; M541-F556 HydrophobicContact SD-CE1 3.99Å; M541-S560 WeakPolarHBondContact CB-OG 3.18Å; M541-S560 WeakPolarHBondContact CG-OG 3.43Å |
| 542 | F | 83.3 | Confident | 69.4 | Low | 11 Ų | 11 | 25.5 Ų | 25.5 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | trans | -69.9 | 136.1 | 170.8 | -166.6 | -118.6 | 0 | 0 | 0 | 111 | H507 D518 N519 L529 N538 Y539 I540 S544 I546 | H507-F542 PolarHBondContact CE1-O 3.44Å; H507-F542 VanDerWaalsContact CE1-O 3.26Å; D518-F542 PolarHBondContact OD2-N 3.4Å; N519-F542 HydrophobicContact CB-CE2 4.43Å; L529-F542 HydrophobicContact CD2-CD2 3.62Å; L529-F542 HydrophobicContact CD2-CE2 3.72Å; N538-F542 HydrophobicContact CB-CB 3.73Å; N538-F542 HydrophobicContact CB-CD1 3.94Å; N538-F542 HydrophobicContact CB-CD2 3.81Å; N538-F542 HydrophobicContact CB-CE2 4.42Å; N538-F542 HydrophobicContact CB-CG 3.55Å; N538-F542 WeakPolarHBondContact ND2-CD1 3.45Å; N538-F542 WeakPolarHBondContact ND2-CE1 3.33Å; N538-F542 VanDerWaalsContact ND2-CZ 3.34Å; N538-F542 WeakPolarHBondContact ND2-CZ 3.36Å; Y539-F542 WeakPolarHBondContact O-CB 3.43Å; Y539-F542 PolarHBondContact O-N 3.23Å; I540-F542 VanDerWaalsContact C-N 3.27Å; I540-F542 PolarHBondContact O-N 3.44Å; F542-S544 WeakPolarHBondContact CD1-O 3.45Å; F542-S544 PolarHBondContact O-N 3.49Å; F542-I546 HydrophobicContact CB-CG2 4.47Å | ||
| 543 | A | 71.4 | Confident | 70.2 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -67.9 | 3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H517 N519 A799 | H517-A543 HydrophobicContact CB-CB 3.79Å; H517-A543 WeakPolarHBondContact ND1-CB 3.48Å; N519-A543 WeakPolarHBondContact OD1-CB 3.48Å; N519-A543 PolarHBondContact OD1-N 2.94Å; N519-A543 VanDerWaalsContact OD1-N 3.13Å; A543-A799 HydrophobicContact CB-CB 3.8Å |
| 544 | S | 65.8 | Low | 71.3 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -139.2 | 166.3 | -178.2 | -49 | 0 | 0 | 0 | 0 | 109.9 | F542 I546 Y784 V797 | F542-S544 WeakPolarHBondContact CD1-O 3.45Å; F542-S544 PolarHBondContact O-N 3.49Å; S544-I546 PolarHBondContact O-N 3.45Å; S544-Y784 WeakPolarHBondContact CB-O 3.14Å; S544-V797 VanDerWaalsContact OG-CG1 3.24Å; S544-V797 WeakPolarHBondContact OG-CG1 3.49Å |
| 545 | A | 58.6 | Low | 72.2 | Confident | 18 Ų | 18 | 20.6 Ų | 20.6 | 15% | 0.149 | 10% | 0.104 | C | C | . | . | trans | -63 | 134.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113 | F197 Y787 | F197-A545 HydrophobicContact CD1-CB 4.44Å; F197-A545 HydrophobicContact CD2-CB 3.49Å; F197-A545 VanDerWaalsContact CD2-CB 3.49Å; F197-A545 HydrophobicContact CE1-CB 4.3Å; F197-A545 HydrophobicContact CE2-CB 3.28Å; F197-A545 HydrophobicContact CG-CB 4.07Å; F197-A545 HydrophobicContact CZ-CB 3.74Å; A545-Y787 HydrophobicContact CB-CD1 4.37Å; A545-Y787 HydrophobicContact CB-CE1 3.37Å; A545-Y787 WeakPolarHBondContact CB-OH 3.46Å; A545-Y787 PolarHBondContact N-OH 3.06Å | ||
| 546 | I | 63.8 | Low | 73.5 | Confident | 10 Ų | 10 | 19.1 Ų | 19.1 | 5% | 0.051 | 9% | 0.094 | C | C | . | . | trans | -96.4 | 128.4 | 164.7 | 52.6 | -176.2 | 0 | 0 | 0 | 108.8 | L503 F542 S544 G548 N553 | L503-I546 HydrophobicContact CB-CD1 4.22Å; L503-I546 HydrophobicContact CD1-CD1 4.17Å; L503-I546 HydrophobicContact CD1-CG1 4.38Å; F542-I546 HydrophobicContact CB-CG2 4.47Å; S544-I546 PolarHBondContact O-N 3.45Å; I546-G548 PolarHBondContact O-N 2.95Å; I546-N553 HydrophobicContact CB-CB 4.08Å; I546-N553 HydrophobicContact CD1-CB 4.24Å; I546-N553 WeakPolarHBondContact CD1-O 3.33Å; I546-N553 WeakPolarHBondContact CG2-ND2 3.3Å | ||
| 547 | S | 59.6 | Low | 74.7 | Confident | 34 Ų | 34 | 14.3 Ų | 14.3 | 24% | 0.238 | 8% | 0.075 | C | C | . | . | trans | -67.1 | -18.7 | 174.9 | 47 | 0 | 0 | 0 | 0 | 112.8 | D549 | S547-D549 WeakPolarHBondContact CB-OD1 3.2Å; S547-D549 PolarHBondContact O-N 2.99Å; S547-D549 PolarHBondContact OG-OD1 3.36Å | ||
| 548 | G | 63.9 | Low | 75.5 | Confident | 4 Ų | 4 | 19 Ų | 19 | 4% | 0.041 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 73.7 | -2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K499 I546 N553 | K499-G548 WeakPolarHBondContact CE-O 3.39Å; K499-G548 PolarHBondContact NZ-O 2.98Å; I546-G548 PolarHBondContact O-N 2.95Å; G548-N553 VanDerWaalsContact CA-OD1 3.23Å; G548-N553 WeakPolarHBondContact CA-OD1 3.35Å; G548-N553 PolarHBondContact N-OD1 3.44Å |
| 549 | D | 59.9 | Low | 76.1 | Confident | 25 Ų | 25 | 18.7 Ų | 18.7 | 13% | 0.134 | 10% | 0.099 | C | C | . | . | trans | -88.3 | -3.6 | -179 | 93.7 | -55.3 | 0 | 0 | 0 | 113.9 | L174 S547 N553 R695 | L174-D549 HydrophobicContact CD2-CB 4.14Å; S547-D549 WeakPolarHBondContact CB-OD1 3.2Å; S547-D549 PolarHBondContact O-N 2.99Å; S547-D549 PolarHBondContact OG-OD1 3.36Å; D549-N553 PolarHBondContact N-OD1 2.7Å; D549-R695 IonicContact OD2-CZ 3.59Å; D549-R695 IonicContact OD2-NH1 2.63Å; D549-R695 IonicContact OD2-NH2 3.96Å; D549-R695 PolarHBondContact OD2-NH2 2.98Å | ||
| 550 | K | 66.4 | Low | 76.4 | Confident | 25 Ų | 25 | 17 Ų | 17 | 11% | 0.109 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -107.2 | 153.5 | 179.9 | -43.7 | -71.4 | -175.4 | 155.6 | 0 | 111.3 | R536 N552 N553 Y784 | R536-K550 CarbonylContact O-C 3.26Å; R536-K550 WeakPolarHBondContact O-CB 3.09Å; K550-N552 PolarHBondContact O-N 3.3Å; K550-N553 WeakPolarHBondContact CB-OD1 3.47Å; K550-N553 PolarHBondContact N-OD1 3.03Å; K550-N553 VanDerWaalsContact N-OD1 3.13Å; K550-N553 WeakPolarHBondContact O-CB 3.03Å; K550-N553 PolarHBondContact O-N 2.73Å; K550-Y784 WeakPolarHBondContact CE-OH 3.34Å |
| 551 | E | 69.4 | Low | 76.6 | Confident | 44 Ų | 44 | 18.4 Ų | 18.4 | 21% | 0.206 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -59.6 | -41.9 | -171.9 | 176.9 | 177.4 | -172.5 | 0 | 0 | 114.5 | S143 R536 N553 K555 | S143-E551 VanDerWaalsContact O-CB 3.29Å; S143-E551 WeakPolarHBondContact O-CB 3.2Å; S143-E551 WeakPolarHBondContact O-CG 3.29Å; R536-E551 HydrophobicContact CB-CB 4.06Å; R536-E551 WeakPolarHBondContact CD-OE2 3.45Å; R536-E551 HydrophobicContact CG-CB 4.23Å; R536-E551 WeakPolarHBondContact CG-OE2 3.44Å; R536-E551 PolarHBondContact O-N 2.8Å; R536-E551 VanDerWaalsContact O-N 3.14Å; E551-N553 VanDerWaalsContact C-N 3.28Å; E551-N553 PolarHBondContact O-N 2.91Å; E551-K555 VanDerWaalsContact CD-NZ 3.3Å; E551-K555 VanDerWaalsContact CG-NZ 3.3Å; E551-K555 IonicContact OE1-NZ 3.9Å; E551-K555 PolarHBondContact OE1-NZ 2.84Å |
| 552 | N | 78 | Confident | 76.8 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -77.8 | -16.5 | -174.8 | -68.1 | -21.6 | 0 | 0 | 0 | 112.4 | R536 G537 N538 Y539 K550 N554 K555 | R536-N552 WeakPolarHBondContact CB-ND2 3.26Å; R536-N552 WeakPolarHBondContact O-CB 3.28Å; R536-N552 PolarHBondContact O-N 3.01Å; G537-N552 VanDerWaalsContact O-CB 3.3Å; G537-N552 WeakPolarHBondContact O-CB 3.38Å; G537-N552 PolarHBondContact O-ND2 2.92Å; N538-N552 CarbonylContact O-C 3.46Å; N538-N552 WeakPolarHBondContact O-CB 3.32Å; Y539-N552 WeakPolarHBondContact CA-O 3.35Å; Y539-N552 HydrophobicContact CD1-CB 3.58Å; Y539-N552 HydrophobicContact CE1-CB 3.67Å; Y539-N552 VanDerWaalsContact CE1-CG 3.41Å; Y539-N552 HydrophobicContact CG-CB 4.2Å; K550-N552 PolarHBondContact O-N 3.3Å; N552-N554 PolarHBondContact O-N 3.01Å; N552-K555 PolarHBondContact O-N 3.28Å; N552-K555 VanDerWaalsContact O-O 3.08Å |
| 553 | N | 77.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -60.9 | -20.4 | -175.9 | -61.9 | 166.7 | 0 | 0 | 0 | 113.5 | L503 N538 I540 I546 G548 D549 K550 E551 | L503-N553 HydrophobicContact CD1-CB 4.46Å; L503-N553 WeakPolarHBondContact CD2-O 3.33Å; N538-N553 WeakPolarHBondContact O-CA 3.5Å; N538-N553 PolarHBondContact O-N 3.25Å; N538-N553 PolarHBondContact O-ND2 3.15Å; I540-N553 WeakPolarHBondContact CG1-O 3.1Å; I546-N553 HydrophobicContact CB-CB 4.08Å; I546-N553 HydrophobicContact CD1-CB 4.24Å; I546-N553 WeakPolarHBondContact CD1-O 3.33Å; I546-N553 WeakPolarHBondContact CG2-ND2 3.3Å; G548-N553 VanDerWaalsContact CA-OD1 3.23Å; G548-N553 WeakPolarHBondContact CA-OD1 3.35Å; G548-N553 PolarHBondContact N-OD1 3.44Å; D549-N553 PolarHBondContact N-OD1 2.7Å; K550-N553 WeakPolarHBondContact CB-OD1 3.47Å; K550-N553 PolarHBondContact N-OD1 3.03Å; K550-N553 VanDerWaalsContact N-OD1 3.13Å; K550-N553 WeakPolarHBondContact O-CB 3.03Å; K550-N553 PolarHBondContact O-N 2.73Å; E551-N553 VanDerWaalsContact C-N 3.28Å; E551-N553 PolarHBondContact O-N 2.91Å |
| 554 | N | 76.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 19 Ų | 19 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -105.2 | 13.6 | 179.8 | -55.7 | 2.5 | 0 | 0 | 0 | 112.2 | L140 N552 | L140-N554 WeakPolarHBondContact O-CB 3.36Å; L140-N554 PolarHBondContact O-ND2 2.98Å; N552-N554 PolarHBondContact O-N 3.01Å |
| 555 | K | 84 | Confident | 79.4 | Confident | 41 Ų | 41 | 18.7 Ų | 18.7 | 18% | 0.178 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -130 | 150.7 | -176.8 | -55.9 | 178.6 | -169.7 | 170.4 | 0 | 111.6 | L141 Y539 I540 E551 N552 | L141-K555 WeakPolarHBondContact O-CE 3.23Å; L141-K555 VanDerWaalsContact O-CG 3.28Å; L141-K555 WeakPolarHBondContact O-CG 3.38Å; Y539-K555 WeakPolarHBondContact CB-O 3.46Å; Y539-K555 HydrophobicContact CD1-CB 4.27Å; I540-K555 WeakPolarHBondContact CG1-O 3.41Å; I540-K555 PolarHBondContact N-O 3.5Å; E551-K555 VanDerWaalsContact CD-NZ 3.3Å; E551-K555 VanDerWaalsContact CG-NZ 3.3Å; E551-K555 IonicContact OE1-NZ 3.9Å; E551-K555 PolarHBondContact OE1-NZ 2.84Å; N552-K555 PolarHBondContact O-N 3.28Å; N552-K555 VanDerWaalsContact O-O 3.08Å |
| 556 | F | 89.8 | Confident | 81 | Confident | 14 Ų | 14 | 21.5 Ų | 21.5 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | trans | -78.4 | 150.3 | 164.6 | -68.3 | -69.9 | 0 | 0 | 0 | 111 | I323 Y324 F329 I540 M541 L561 I564 | I323-F556 HydrophobicContact CG2-CE2 3.95Å; Y324-F556 HydrophobicContact CD2-CE2 4.32Å; Y324-F556 HydrophobicContact CD2-CZ 4.47Å; Y324-F556 HydrophobicContact CE1-CE2 4.48Å; Y324-F556 HydrophobicContact CE1-CZ 4.39Å; Y324-F556 AromaticContact CE2-CE2 3.96Å; Y324-F556 HydrophobicContact CE2-CE2 3.96Å; Y324-F556 AromaticContact CE2-CZ 3.67Å; Y324-F556 HydrophobicContact CE2-CZ 3.67Å; Y324-F556 AromaticContact CZ-CZ 3.63Å; F329-F556 HydrophobicContact CE1-CD2 4.17Å; F329-F556 HydrophobicContact CE1-CE2 4.32Å; I540-F556 HydrophobicContact CB-CD1 4.17Å; I540-F556 HydrophobicContact CB-CE1 4.08Å; I540-F556 HydrophobicContact CD1-CD1 4.4Å; I540-F556 HydrophobicContact CD1-CD2 4.31Å; I540-F556 HydrophobicContact CD1-CE1 4.19Å; I540-F556 HydrophobicContact CD1-CE2 4.1Å; I540-F556 HydrophobicContact CD1-CG 4.45Å; I540-F556 HydrophobicContact CD1-CZ 4.03Å; I540-F556 HydrophobicContact CG2-CD1 4.35Å; I540-F556 HydrophobicContact CG2-CE1 3.77Å; I540-F556 HydrophobicContact CG2-CZ 4.29Å; M541-F556 HydrophobicContact CG-CD1 3.87Å; M541-F556 HydrophobicContact CG-CE1 3.96Å; M541-F556 HydrophobicContact SD-CE1 3.99Å; F556-L561 HydrophobicContact CB-CD2 3.76Å; F556-L561 HydrophobicContact CB-CG 3.91Å; F556-L561 HydrophobicContact CD2-CD2 4.44Å; F556-L561 HydrophobicContact CG-CD2 4.46Å; F556-I564 HydrophobicContact CD1-CD1 4.2Å; F556-I564 HydrophobicContact CE1-CD1 4.21Å; F556-I564 HydrophobicContact CG-CD1 4.4Å; F556-I564 HydrophobicContact CZ-CD1 4.42Å | ||
| 557 | S | 90 | Very high | 82.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -72.5 | 164.9 | 167 | 78.3 | 0 | 0 | 0 | 0 | 110.9 | D518 C528 Y539 C559 S560 L561 | D518-S557 VanDerWaalsContact OD1-CB 3.24Å; D518-S557 WeakPolarHBondContact OD1-CB 3.07Å; D518-S557 PolarHBondContact OD1-OG 2.78Å; C528-S557 WeakPolarHBondContact O-CB 3.32Å; Y539-S557 VanDerWaalsContact CD2-CB 3.43Å; S557-C559 PolarHBondContact O-N 2.85Å; S557-C559 PolarHBondContact OG-N 2.87Å; S557-S560 WeakPolarHBondContact O-CB 3.06Å; S557-S560 PolarHBondContact O-N 2.84Å; S557-S560 VanDerWaalsContact O-N 3.13Å; S557-S560 PolarHBondContact OG-N 3.09Å; S557-S560 PolarHBondContact OG-OG 2.84Å; S557-L561 WeakPolarHBondContact O-CG 3.16Å; S557-L561 PolarHBondContact O-N 2.77Å | ||
| 558 | D | 88.2 | Confident | 83.9 | Confident | 101 Ų | 101 | 20 Ų | 20 | 54% | 0.54 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -57.5 | -33.5 | 173.4 | -63.4 | -48 | 0 | 0 | 0 | 112.5 | Y526 L561 D562 | Y526-D558 HydrophobicContact CD2-CB 4.3Å; Y526-D558 HydrophobicContact CE2-CB 4.14Å; D558-L561 PolarHBondContact O-N 3.47Å; D558-D562 VanDerWaalsContact O-CB 3.22Å; D558-D562 WeakPolarHBondContact O-CB 3.22Å; D558-D562 PolarHBondContact O-N 3.41Å |
| 559 | C | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -74.6 | -33.9 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | Y526 C528 S557 S563 | Y526-C559 HydrophobicContact CE2-CB 4.31Å; Y526-C559 WeakPolarHBondContact CE2-SG 3.5Å; C528-C559 WeakPolarHBondContact CA-SG 3.35Å; C528-C559 HydrophobicContact CB-CB 3.65Å; C528-C559 WeakPolarHBondContact CB-SG 3.19Å; C528-C559 WeakPolarHBondContact SG-CB 3.21Å; C528-C559 CovalentContact SG-SG 2Å; C528-C559 PolarHBondContact SG-SG 3.05Å; S557-C559 PolarHBondContact O-N 2.85Å; S557-C559 PolarHBondContact OG-N 2.87Å; C559-S563 WeakPolarHBondContact O-CB 3.43Å; C559-S563 PolarHBondContact O-N 2.69Å; C559-S563 PolarHBondContact O-OG 2.9Å |
| 560 | S | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | -46.8 | 170.2 | -75.3 | 0 | 0 | 0 | 0 | 110.8 | D518 M541 S557 D562 S563 I564 | D518-S560 PolarHBondContact OD1-OG 3.47Å; M541-S560 WeakPolarHBondContact CB-OG 3.18Å; M541-S560 WeakPolarHBondContact CG-OG 3.43Å; S557-S560 WeakPolarHBondContact O-CB 3.06Å; S557-S560 PolarHBondContact O-N 2.84Å; S557-S560 VanDerWaalsContact O-N 3.13Å; S557-S560 PolarHBondContact OG-N 3.09Å; S557-S560 PolarHBondContact OG-OG 2.84Å; S560-D562 VanDerWaalsContact C-N 3.33Å; S560-D562 PolarHBondContact O-N 3.22Å; S560-S563 PolarHBondContact O-N 2.84Å; S560-I564 WeakPolarHBondContact O-CB 3.17Å; S560-I564 WeakPolarHBondContact O-CD1 3.14Å; S560-I564 WeakPolarHBondContact O-CG1 3.46Å; S560-I564 PolarHBondContact O-N 3.29Å |
| 561 | L | 91.9 | Very high | 87.7 | Confident | 30 Ų | 30 | 23.9 Ų | 23.9 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.2 | -66.7 | 174.3 | 0 | 0 | 0 | 111.9 | F329 R330 F556 S557 D558 I564 A565 | F329-L561 HydrophobicContact CD1-CD2 3.68Å; F329-L561 HydrophobicContact CE1-CD2 4.06Å; R330-L561 CarbonylContact O-C 3.34Å; F556-L561 HydrophobicContact CB-CD2 3.76Å; F556-L561 HydrophobicContact CB-CG 3.91Å; F556-L561 HydrophobicContact CD2-CD2 4.44Å; F556-L561 HydrophobicContact CG-CD2 4.46Å; S557-L561 WeakPolarHBondContact O-CG 3.16Å; S557-L561 PolarHBondContact O-N 2.77Å; D558-L561 PolarHBondContact O-N 3.47Å; L561-I564 PolarHBondContact O-N 2.85Å; L561-A565 VanDerWaalsContact O-CB 3.28Å; L561-A565 WeakPolarHBondContact O-CB 3.34Å; L561-A565 PolarHBondContact O-N 2.66Å |
| 562 | D | 90.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 177.3 | 168.6 | 84.3 | 0 | 0 | 0 | 112.8 | R330 D331 H332 D558 S560 A565 K566 | R330-D562 VanDerWaalsContact O-CA 3.23Å; R330-D562 WeakPolarHBondContact O-CA 3.43Å; R330-D562 PolarHBondContact O-N 2.94Å; D331-D562 WeakPolarHBondContact CA-OD1 3.08Å; H332-D562 IonicContact CE1-OD1 2.83Å; H332-D562 IonicContact CG-OD1 3.72Å; H332-D562 PolarHBondContact N-OD1 3.42Å; H332-D562 IonicContact ND1-OD1 3.68Å; H332-D562 PolarHBondContact ND1-OD1 3.46Å; D558-D562 VanDerWaalsContact O-CB 3.22Å; D558-D562 WeakPolarHBondContact O-CB 3.22Å; D558-D562 PolarHBondContact O-N 3.41Å; S560-D562 VanDerWaalsContact C-N 3.33Å; S560-D562 PolarHBondContact O-N 3.22Å; D562-A565 PolarHBondContact O-N 3.38Å; D562-K566 WeakPolarHBondContact O-CB 3.45Å; D562-K566 WeakPolarHBondContact O-CD 3.49Å; D562-K566 VanDerWaalsContact O-CG 3.27Å; D562-K566 WeakPolarHBondContact O-CG 3.42Å; D562-K566 PolarHBondContact O-N 3.1Å; D562-K566 WeakPolarHBondContact OD1-CE 3.27Å; D562-K566 IonicContact OD1-NZ 2.86Å; D562-K566 PolarHBondContact OD1-NZ 3.47Å; D562-K566 VanDerWaalsContact OD2-CE 3.32Å; D562-K566 WeakPolarHBondContact OD2-CE 3.47Å; D562-K566 IonicContact OD2-NZ 3.9Å; D562-K566 PolarHBondContact OD2-NZ 2.98Å |
| 563 | S | 91.4 | Very high | 89 | Confident | 22 Ų | 22 | 30 Ų | 30 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | C559 S560 K566 L567 | C559-S563 WeakPolarHBondContact O-CB 3.43Å; C559-S563 PolarHBondContact O-N 2.69Å; C559-S563 PolarHBondContact O-OG 2.9Å; S560-S563 PolarHBondContact O-N 2.84Å; S563-K566 PolarHBondContact O-N 2.92Å; S563-L567 PolarHBondContact O-N 3.44Å; S563-L567 VanDerWaalsContact O-N 3.1Å |
| 564 | I | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -42.6 | 178.9 | -63.2 | 166.4 | 0 | 0 | 0 | 110.9 | F329 F513 A515 F556 S560 L561 K566 L567 L568 | F329-I564 HydrophobicContact CB-CG2 4.37Å; F329-I564 HydrophobicContact CD1-CB 3.8Å; F329-I564 HydrophobicContact CD1-CD1 4.09Å; F329-I564 HydrophobicContact CD1-CG2 3.42Å; F329-I564 VanDerWaalsContact CD1-CG2 3.42Å; F329-I564 HydrophobicContact CD2-CG2 4.4Å; F329-I564 HydrophobicContact CE1-CB 4.25Å; F329-I564 HydrophobicContact CE1-CD1 3.77Å; F329-I564 HydrophobicContact CE1-CG2 3.73Å; F329-I564 HydrophobicContact CG-CB 4.47Å; F329-I564 HydrophobicContact CG-CG2 3.81Å; F329-I564 HydrophobicContact CZ-CG2 4.33Å; F513-I564 HydrophobicContact CB-CD1 4.41Å; F513-I564 HydrophobicContact CB-CG1 3.98Å; F513-I564 HydrophobicContact CB-CG2 4.14Å; F513-I564 HydrophobicContact CD1-CG2 4.2Å; F513-I564 WeakPolarHBondContact O-CA 3.44Å; F513-I564 WeakPolarHBondContact O-CG1 3.4Å; A515-I564 HydrophobicContact CB-CD1 4.24Å; A515-I564 HydrophobicContact CB-CG1 4.15Å; F556-I564 HydrophobicContact CD1-CD1 4.2Å; F556-I564 HydrophobicContact CE1-CD1 4.21Å; F556-I564 HydrophobicContact CG-CD1 4.4Å; F556-I564 HydrophobicContact CZ-CD1 4.42Å; S560-I564 WeakPolarHBondContact O-CB 3.17Å; S560-I564 WeakPolarHBondContact O-CD1 3.14Å; S560-I564 WeakPolarHBondContact O-CG1 3.46Å; S560-I564 PolarHBondContact O-N 3.29Å; L561-I564 PolarHBondContact O-N 2.85Å; I564-K566 VanDerWaalsContact C-N 3.34Å; I564-K566 PolarHBondContact O-N 2.92Å; I564-L567 PolarHBondContact O-N 2.83Å; I564-L568 HydrophobicContact CG2-CD1 3.87Å; I564-L568 HydrophobicContact CG2-CG 4.15Å; I564-L568 WeakPolarHBondContact O-CB 3.46Å; I564-L568 WeakPolarHBondContact O-CG 3.27Å; I564-L568 PolarHBondContact O-N 2.9Å |
| 565 | A | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F329 D331 L336 F338 L561 D562 L568 D569 | F329-A565 HydrophobicContact CB-CB 4.26Å; D331-A565 HydrophobicContact CB-CB 4.45Å; L336-A565 HydrophobicContact CB-CB 4.4Å; F338-A565 HydrophobicContact CD2-CB 4.44Å; F338-A565 WeakPolarHBondContact CE2-O 3.39Å; L561-A565 VanDerWaalsContact O-CB 3.28Å; L561-A565 WeakPolarHBondContact O-CB 3.34Å; L561-A565 PolarHBondContact O-N 2.66Å; D562-A565 PolarHBondContact O-N 3.38Å; A565-L568 PolarHBondContact O-N 3.2Å; A565-D569 PolarHBondContact O-N 2.87Å |
| 566 | K | 91.6 | Very high | 89 | Confident | 77 Ų | 77 | 43.4 Ų | 43.4 | 34% | 0.335 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.7 | -38 | 175.5 | -72.8 | 165.4 | 179.3 | 167.7 | 0 | 112.6 | V458 D562 S563 I564 H570 | V458-K566 HydrophobicContact CG2-CB 4.4Å; D562-K566 WeakPolarHBondContact O-CB 3.45Å; D562-K566 WeakPolarHBondContact O-CD 3.49Å; D562-K566 VanDerWaalsContact O-CG 3.27Å; D562-K566 WeakPolarHBondContact O-CG 3.42Å; D562-K566 PolarHBondContact O-N 3.1Å; D562-K566 WeakPolarHBondContact OD1-CE 3.27Å; D562-K566 IonicContact OD1-NZ 2.86Å; D562-K566 PolarHBondContact OD1-NZ 3.47Å; D562-K566 VanDerWaalsContact OD2-CE 3.32Å; D562-K566 WeakPolarHBondContact OD2-CE 3.47Å; D562-K566 IonicContact OD2-NZ 3.9Å; D562-K566 PolarHBondContact OD2-NZ 2.98Å; S563-K566 PolarHBondContact O-N 2.92Å; I564-K566 VanDerWaalsContact C-N 3.34Å; I564-K566 PolarHBondContact O-N 2.92Å; K566-H570 PolarHBondContact O-N 2.8Å |
| 567 | L | 92.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.6 | -43.5 | 175.5 | -171.4 | 72.7 | 0 | 0 | 0 | 112 | A456 V458 V464 F513 S563 I564 D569 H570 V571 | A456-L567 HydrophobicContact CB-CD1 4.03Å; A456-L567 HydrophobicContact CB-CD2 3.43Å; A456-L567 VanDerWaalsContact CB-CD2 3.43Å; A456-L567 HydrophobicContact CB-CG 4.39Å; V458-L567 HydrophobicContact CG2-CD1 4.22Å; V464-L567 HydrophobicContact CG2-CD2 3.72Å; V464-L567 HydrophobicContact CG2-CG 4.48Å; F513-L567 VanDerWaalsContact O-CD2 3.24Å; F513-L567 WeakPolarHBondContact O-CD2 3.49Å; S563-L567 PolarHBondContact O-N 3.44Å; S563-L567 VanDerWaalsContact O-N 3.1Å; I564-L567 PolarHBondContact O-N 2.83Å; L567-D569 VanDerWaalsContact C-N 3.33Å; L567-D569 PolarHBondContact O-N 3.4Å; L567-H570 WeakPolarHBondContact O-CB 3.38Å; L567-H570 PolarHBondContact O-N 3.49Å; L567-H570 VanDerWaalsContact O-N 3.13Å; L567-V571 HydrophobicContact CD1-CG2 4.15Å; L567-V571 HydrophobicContact CG-CG2 4.05Å; L567-V571 WeakPolarHBondContact O-CG2 3.47Å; L567-V571 PolarHBondContact O-N 3.01Å |
| 568 | L | 91.6 | Very high | 89 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.3 | -75.2 | 174.1 | 0 | 0 | 0 | 111.3 | F329 F338 V341 F513 I564 A565 H570 V571 L572 F579 | F329-L568 HydrophobicContact CB-CD1 4.13Å; F329-L568 HydrophobicContact CD2-CD1 3.88Å; F329-L568 HydrophobicContact CG-CD1 4.1Å; F338-L568 HydrophobicContact CB-CD1 4.06Å; F338-L568 HydrophobicContact CD2-CB 3.91Å; F338-L568 HydrophobicContact CD2-CD1 4.11Å; F338-L568 HydrophobicContact CE2-CB 3.91Å; F338-L568 HydrophobicContact CG-CB 4.34Å; F338-L568 HydrophobicContact CG-CD1 4.18Å; F338-L568 HydrophobicContact CZ-CB 4.36Å; V341-L568 HydrophobicContact CG2-CD1 4.31Å; V341-L568 HydrophobicContact CG2-CD2 4.25Å; F513-L568 HydrophobicContact CD1-CD2 4.29Å; F513-L568 HydrophobicContact CE1-CD2 4.17Å; I564-L568 HydrophobicContact CG2-CD1 3.87Å; I564-L568 HydrophobicContact CG2-CG 4.15Å; I564-L568 WeakPolarHBondContact O-CB 3.46Å; I564-L568 WeakPolarHBondContact O-CG 3.27Å; I564-L568 PolarHBondContact O-N 2.9Å; A565-L568 PolarHBondContact O-N 3.2Å; L568-H570 VanDerWaalsContact C-N 3.33Å; L568-H570 PolarHBondContact O-N 2.88Å; L568-V571 PolarHBondContact O-N 3.29Å; L568-L572 HydrophobicContact CB-CD1 4.27Å; L568-L572 WeakPolarHBondContact O-CB 3.42Å; L568-L572 WeakPolarHBondContact O-CD1 3.48Å; L568-L572 WeakPolarHBondContact O-CG 3.28Å; L568-L572 PolarHBondContact O-N 3.24Å; L568-F579 HydrophobicContact CD2-CE2 4.27Å; L568-F579 HydrophobicContact CD2-CZ 3.92Å |
| 569 | D | 91 | Very high | 89.1 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 175.9 | -169.7 | 75.6 | 0 | 0 | 0 | 112.6 | L336 F338 A565 L567 R573 | L336-D569 HydrophobicContact CD1-CB 3.73Å; L336-D569 HydrophobicContact CD2-CB 3.92Å; L336-D569 VanDerWaalsContact CD2-OD1 3.29Å; L336-D569 WeakPolarHBondContact CD2-OD1 3.34Å; L336-D569 HydrophobicContact CG-CB 4.44Å; F338-D569 HydrophobicContact CE2-CB 4.1Å; F338-D569 HydrophobicContact CZ-CB 3.89Å; A565-D569 PolarHBondContact O-N 2.87Å; L567-D569 VanDerWaalsContact C-N 3.33Å; L567-D569 PolarHBondContact O-N 3.4Å; D569-R573 WeakPolarHBondContact O-CB 3.17Å; D569-R573 WeakPolarHBondContact O-CD 3.42Å; D569-R573 WeakPolarHBondContact O-CG 3.31Å; D569-R573 PolarHBondContact O-N 3.1Å; D569-R573 IonicContact OD1-CZ 3.32Å; D569-R573 IonicContact OD1-NE 3.16Å; D569-R573 PolarHBondContact OD1-NE 3.21Å; D569-R573 IonicContact OD1-NH2 2.73Å; D569-R573 PolarHBondContact OD1-NH2 3.31Å; D569-R573 IonicContact OD2-CZ 3.93Å; D569-R573 IonicContact OD2-NE 2.86Å; D569-R573 PolarHBondContact OD2-NE 2.78Å; D569-R573 IonicContact OD2-NH2 3.18Å |
| 570 | H | 90.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 45.9 Ų | 45.9 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -46.6 | 176.8 | -177.7 | 57.5 | 0 | 0 | 0 | 112.7 | V458 G459 K566 L567 L568 G574 | V458-H570 HydrophobicContact CG1-CB 4.12Å; G459-H570 PolarHBondContact N-NE2 2.92Å; K566-H570 PolarHBondContact O-N 2.8Å; L567-H570 WeakPolarHBondContact O-CB 3.38Å; L567-H570 PolarHBondContact O-N 3.49Å; L567-H570 VanDerWaalsContact O-N 3.13Å; L568-H570 VanDerWaalsContact C-N 3.33Å; L568-H570 PolarHBondContact O-N 2.88Å; H570-G574 PolarHBondContact O-N 3.39Å |
| 571 | V | 90.3 | Very high | 87.9 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74 | -42.4 | -176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | V464 C465 L567 L568 R573 G574 N577 F579 | V464-V571 HydrophobicContact CG2-CG2 4.33Å; C465-V571 HydrophobicContact CB-CG1 4.13Å; L567-V571 HydrophobicContact CD1-CG2 4.15Å; L567-V571 HydrophobicContact CG-CG2 4.05Å; L567-V571 WeakPolarHBondContact O-CG2 3.47Å; L567-V571 PolarHBondContact O-N 3.01Å; L568-V571 PolarHBondContact O-N 3.29Å; V571-R573 VanDerWaalsContact C-N 3.26Å; V571-R573 PolarHBondContact O-N 3.35Å; V571-G574 PolarHBondContact O-N 3.12Å; V571-G574 VanDerWaalsContact O-N 3.08Å; V571-N577 WeakPolarHBondContact O-CB 3.19Å; V571-F579 HydrophobicContact CG1-CD2 4.18Å; V571-F579 HydrophobicContact CG1-CE2 3.88Å |
| 572 | L | 88.5 | Confident | 86.6 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70 | -21 | -179.3 | -65.2 | 169.3 | 0 | 0 | 0 | 113.2 | R276 F338 L568 F579 | R276-L572 HydrophobicContact CG-CD1 4.28Å; R276-L572 HydrophobicContact CG-CD2 4.3Å; F338-L572 HydrophobicContact CD1-CD1 4.05Å; F338-L572 HydrophobicContact CE1-CD1 3.78Å; F338-L572 HydrophobicContact CZ-CD1 4.45Å; L568-L572 HydrophobicContact CB-CD1 4.27Å; L568-L572 WeakPolarHBondContact O-CB 3.42Å; L568-L572 WeakPolarHBondContact O-CD1 3.48Å; L568-L572 WeakPolarHBondContact O-CG 3.28Å; L568-L572 PolarHBondContact O-N 3.24Å; L572-F579 HydrophobicContact CD2-CB 4.13Å; L572-F579 HydrophobicContact CD2-CD2 3.79Å; L572-F579 HydrophobicContact CD2-CG 4.12Å |
| 573 | R | 86 | Confident | 84.8 | Confident | 155 Ų | 155 | 59.7 Ų | 59.7 | 59% | 0.585 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -89.5 | -15.2 | 170.2 | -67 | 176.9 | -165.3 | -75.1 | -8.4 | 113.8 | D569 V571 | D569-R573 WeakPolarHBondContact O-CB 3.17Å; D569-R573 WeakPolarHBondContact O-CD 3.42Å; D569-R573 WeakPolarHBondContact O-CG 3.31Å; D569-R573 PolarHBondContact O-N 3.1Å; D569-R573 IonicContact OD1-CZ 3.32Å; D569-R573 IonicContact OD1-NE 3.16Å; D569-R573 PolarHBondContact OD1-NE 3.21Å; D569-R573 IonicContact OD1-NH2 2.73Å; D569-R573 PolarHBondContact OD1-NH2 3.31Å; D569-R573 IonicContact OD2-CZ 3.93Å; D569-R573 IonicContact OD2-NE 2.86Å; D569-R573 PolarHBondContact OD2-NE 2.78Å; D569-R573 IonicContact OD2-NH2 3.18Å; V571-R573 VanDerWaalsContact C-N 3.26Å; V571-R573 PolarHBondContact O-N 3.35Å |
| 574 | G | 82.4 | Confident | 83 | Confident | 33 Ų | 33 | 60 Ų | 60 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -83.6 | 152.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H570 V571 N576 N577 | H570-G574 PolarHBondContact O-N 3.39Å; V571-G574 PolarHBondContact O-N 3.12Å; V571-G574 VanDerWaalsContact O-N 3.08Å; G574-N576 PolarHBondContact O-N 3.34Å; G574-N576 VanDerWaalsContact O-N 3.17Å; G574-N577 WeakPolarHBondContact O-CB 3.39Å; G574-N577 PolarHBondContact O-N 3.43Å; G574-N577 VanDerWaalsContact O-N 3.09Å |
| 575 | E | 78.9 | Confident | 81.2 | Confident | 206 Ų | 206 | 63.7 Ų | 63.7 | 96% | 0.963 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.9 | 174 | -61.3 | -179.8 | 165.6 | 0 | 0 | 112.6 | N577 | E575-N577 VanDerWaalsContact C-N 3.29Å; E575-N577 PolarHBondContact O-N 3.49Å |
| 576 | N | 77.7 | Confident | 79.8 | Confident | 103 Ų | 103 | 66 Ų | 66 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 6.5 | 176.9 | -69.7 | -23.6 | 0 | 0 | 0 | 114.2 | C465 G574 C578 | C465-N576 WeakPolarHBondContact CB-O 3.14Å; G574-N576 PolarHBondContact O-N 3.34Å; G574-N576 VanDerWaalsContact O-N 3.17Å; N576-C578 PolarHBondContact O-N 2.83Å; N576-C578 VanDerWaalsContact O-N 3.14Å |
| 577 | N | 87.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | trans | -54.7 | 120.5 | -179.5 | -175.5 | 7.3 | 0 | 0 | 0 | 111.4 | V571 G574 E575 F579 | V571-N577 WeakPolarHBondContact O-CB 3.19Å; G574-N577 WeakPolarHBondContact O-CB 3.39Å; G574-N577 PolarHBondContact O-N 3.43Å; G574-N577 VanDerWaalsContact O-N 3.09Å; E575-N577 VanDerWaalsContact C-N 3.29Å; E575-N577 PolarHBondContact O-N 3.49Å; N577-F579 PolarHBondContact OD1-N 2.89Å | ||
| 578 | C | 91.4 | Very high | 77.7 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 12% | 0.122 | 35% | 0.345 | C | S | . | . | trans | -114.7 | 1.3 | -178.5 | 76 | 0 | 0 | 0 | 0 | 113.7 | C435 C465 N576 | C435-C578 WeakPolarHBondContact CA-SG 3.37Å; C435-C578 VanDerWaalsContact CB-SG 3.59Å; C465-C578 WeakPolarHBondContact CA-SG 3.48Å; C465-C578 HydrophobicContact CB-CB 3.71Å; C465-C578 WeakPolarHBondContact CB-SG 3.36Å; C465-C578 WeakPolarHBondContact SG-CB 3.13Å; C465-C578 PolarHBondContact SG-N 3.34Å; C465-C578 CovalentContact SG-SG 2.03Å; C465-C578 PolarHBondContact SG-SG 3.36Å; N576-C578 PolarHBondContact O-N 2.83Å; N576-C578 VanDerWaalsContact O-N 3.14Å | ||
| 579 | F | 90.9 | Very high | 76.3 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -70 | 133 | 178 | -73.4 | -88.1 | 0 | 0 | 0 | 110.4 | R276 C278 V341 V464 F513 L568 V571 L572 N577 | R276-F579 HydrophobicContact CB-CD1 4.13Å; C278-F579 HydrophobicContact CB-CD1 4.26Å; C278-F579 HydrophobicContact CB-CE1 3.89Å; V341-F579 HydrophobicContact CG1-CE1 4.08Å; V464-F579 HydrophobicContact CB-CZ 4.44Å; V464-F579 HydrophobicContact CG2-CZ 4.5Å; F513-F579 AromaticContact CE1-CE1 3.98Å; F513-F579 HydrophobicContact CE1-CE1 3.98Å; F513-F579 AromaticContact CE1-CZ 3.71Å; F513-F579 HydrophobicContact CE1-CZ 3.71Å; F513-F579 HydrophobicContact CZ-CE1 4.13Å; F513-F579 HydrophobicContact CZ-CZ 4.12Å; L568-F579 HydrophobicContact CD2-CE2 4.27Å; L568-F579 HydrophobicContact CD2-CZ 3.92Å; V571-F579 HydrophobicContact CG1-CD2 4.18Å; V571-F579 HydrophobicContact CG1-CE2 3.88Å; L572-F579 HydrophobicContact CD2-CB 4.13Å; L572-F579 HydrophobicContact CD2-CD2 3.79Å; L572-F579 HydrophobicContact CD2-CG 4.12Å; N577-F579 PolarHBondContact OD1-N 2.89Å |
| 580 | L | 85.2 | Confident | 75.1 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 155.4 | 177.8 | -48.8 | 178.4 | 0 | 0 | 0 | 110.4 | V277 N279 R344 | V277-L580 HydrophobicContact CB-CB 4.23Å; V277-L580 WeakPolarHBondContact CB-O 3.43Å; V277-L580 PolarHBondContact N-O 3.13Å; V277-L580 PolarHBondContact O-N 3.12Å; N279-L580 HydrophobicContact CB-CD1 4.17Å; R344-L580 VanDerWaalsContact NH2-CD1 3.28Å |
| 581 | T | 72.1 | Confident | 73.6 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 151.1 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | N274 | N274-T581 CarbonylContact O-C 3.48Š|
| 582 | S | 63.7 | Low | 72.7 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | trans | -141.6 | 155.2 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | N274 G584 | N274-S582 WeakPolarHBondContact O-CA 3.32Å; N274-S582 WeakPolarHBondContact O-CB 3.05Å; N274-S582 PolarHBondContact O-N 2.99Å; S582-G584 VanDerWaalsContact C-N 3.25Å; S582-G584 PolarHBondContact O-N 2.91Å | ||
| 583 | D | 53.9 | Low | 71.6 | Confident | 158 Ų | 158 | 66.4 Ų | 66.4 | 85% | 0.845 | 36% | 0.364 | S | S | * | . | trans | -80 | 40.8 | -150.7 | -56.1 | -43.3 | 0 | 0 | 0 | 116.4 | ||||
| 584 | G | 53.3 | Low | 70.6 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 84.2 | -166.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N274 S582 | N274-G584 PolarHBondContact ND2-O 3.3Å; S582-G584 VanDerWaalsContact C-N 3.25Å; S582-G584 PolarHBondContact O-N 2.91Å |
| 585 | P | 55 | Low | 70.3 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -55.9 | 137 | 172.1 | -22.4 | 34.2 | 0 | 0 | 0 | 110.9 | C587 E593 | P585-C587 PolarHBondContact O-N 2.93Å; P585-E593 WeakPolarHBondContact CA-OE2 3.27Å; P585-E593 HydrophobicContact CB-CB 4.1Å |
| 586 | F | 62.1 | Low | 70.5 | Confident | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | trans | -98 | 87.4 | -168.1 | -166.4 | -80.7 | 0 | 0 | 0 | 111.6 | G588 N589 E593 F602 R615 | F586-G588 PolarHBondContact O-N 3.25Å; F586-N589 HydrophobicContact CD1-CB 3.97Å; F586-N589 PolarHBondContact O-N 3.4Å; F586-N589 PolarHBondContact O-ND2 2.89Å; F586-E593 PolarHBondContact N-OE2 2.83Å; F586-F602 HydrophobicContact CE1-CD2 4.13Å; F586-F602 HydrophobicContact CE1-CE2 4.4Å; F586-F602 HydrophobicContact CZ-CD2 4.13Å; F586-F602 AromaticContact CZ-CE2 3.96Å; F586-F602 HydrophobicContact CZ-CE2 3.96Å; F586-R615 VanDerWaalsContact CD2-NH1 3.28Å | ||
| 587 | C | 71.8 | Confident | 71.1 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.6 | 166.2 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | P585 E596 R615 P620 C621 | P585-C587 PolarHBondContact O-N 2.93Å; C587-E596 WeakPolarHBondContact CA-OE1 3.37Å; C587-E596 WeakPolarHBondContact CB-OE1 3.44Å; C587-E596 PolarHBondContact N-OE1 3.36Å; C587-E596 VanDerWaalsContact N-OE1 3.08Å; C587-R615 HydrophobicContact CB-CG 4.2Å; C587-R615 WeakPolarHBondContact O-CB 3.44Å; C587-R615 WeakPolarHBondContact O-CD 3.5Å; C587-R615 WeakPolarHBondContact O-CG 3.29Å; C587-R615 PolarHBondContact O-NH1 3.46Å; C587-P620 HydrophobicContact CB-CB 4.39Å; C587-C621 WeakPolarHBondContact CA-SG 3.49Å; C587-C621 HydrophobicContact CB-CB 3.71Å; C587-C621 WeakPolarHBondContact CB-SG 3.4Å; C587-C621 WeakPolarHBondContact SG-CB 3.44Å; C587-C621 PolarHBondContact SG-N 3.42Å; C587-C621 CovalentContact SG-SG 2.02Å; C587-C621 PolarHBondContact SG-SG 2.77Å |
| 588 | G | 69.2 | Low | 71.2 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107 | 8.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F586 D599 | F586-G588 PolarHBondContact O-N 3.25Å; G588-D599 VanDerWaalsContact CA-OD1 3.26Å; G588-D599 WeakPolarHBondContact CA-OD1 3.05Å; G588-D599 WeakPolarHBondContact CA-OD2 3.12Å; G588-D599 PolarHBondContact N-OD1 2.96Å; G588-D599 VanDerWaalsContact N-OD1 3.09Å; G588-D599 PolarHBondContact N-OD2 2.76Å |
| 589 | N | 62.4 | Low | 70.9 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -93.2 | -5 | 172.9 | 70.1 | 26.4 | 0 | 0 | 0 | 113.6 | F586 L591 D599 | F586-N589 HydrophobicContact CD1-CB 3.97Å; F586-N589 PolarHBondContact O-N 3.4Å; F586-N589 PolarHBondContact O-ND2 2.89Å; N589-L591 VanDerWaalsContact C-N 3.34Å; N589-L591 WeakPolarHBondContact OD1-CA 3.45Å; N589-L591 WeakPolarHBondContact OD1-CB 3.46Å; N589-L591 PolarHBondContact OD1-N 2.83Å; N589-L591 PolarHBondContact OD1-O 3.41Å; N589-D599 PolarHBondContact N-OD2 2.92Å; N589-D599 PolarHBondContact OD1-OD2 2.79Å |
| 590 | Q | 65.8 | Low | 70.5 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 66.9 | 23.7 | -177.9 | -62.2 | 168 | 79.9 | 0 | 0 | 115.3 | N60 Y111 D599 | N60-Q590 PolarHBondContact ND2-OE1 3.26Å; N60-Q590 PolarHBondContact OD1-NE2 3.18Å; Y111-Q590 HydrophobicContact CD1-CB 4.39Å; Y111-Q590 HydrophobicContact CE1-CB 3.86Å; Y111-Q590 PolarHBondContact OH-OE1 2.73Å; Q590-D599 VanDerWaalsContact N-CG 3.31Å; Q590-D599 PolarHBondContact N-OD2 2.74Å |
| 591 | L | 58.1 | Low | 69.7 | Low | 65 Ų | 65 | 52.4 Ų | 52.4 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -124.7 | 106.1 | 171.3 | 175.8 | 72.2 | 0 | 0 | 0 | 108.7 | N589 E593 | N589-L591 VanDerWaalsContact C-N 3.34Å; N589-L591 WeakPolarHBondContact OD1-CA 3.45Å; N589-L591 WeakPolarHBondContact OD1-CB 3.46Å; N589-L591 PolarHBondContact OD1-N 2.83Å; N589-L591 PolarHBondContact OD1-O 3.41Å; L591-E593 VanDerWaalsContact O-CG 3.22Å; L591-E593 WeakPolarHBondContact O-CG 3.37Å; L591-E593 PolarHBondContact O-N 3.11Å |
| 592 | T | 71.8 | Confident | 69.4 | Low | 38 Ų | 38 | 50.4 Ų | 50.4 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | trans | -60.7 | 103.5 | -179.4 | -49.7 | 0 | 0 | 0 | 0 | 112.1 | E596 C598 D599 | T592-E596 HydrophobicContact CG2-CB 3.86Å; T592-C598 WeakPolarHBondContact OG1-CA 3.29Å; T592-D599 PolarHBondContact OG1-N 3.18Å | ||
| 593 | E | 63.8 | Low | 69.9 | Low | 63 Ų | 63 | 48.8 Ų | 48.8 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -88 | 178.6 | -177.7 | -58.1 | -150.9 | 87.3 | 0 | 0 | 112.4 | P585 F586 L591 G595 E596 | P585-E593 WeakPolarHBondContact CA-OE2 3.27Å; P585-E593 HydrophobicContact CB-CB 4.1Å; F586-E593 PolarHBondContact N-OE2 2.83Å; L591-E593 VanDerWaalsContact O-CG 3.22Å; L591-E593 WeakPolarHBondContact O-CG 3.37Å; L591-E593 PolarHBondContact O-N 3.11Å; E593-G595 PolarHBondContact O-N 3.45Å; E593-E596 PolarHBondContact N-OE2 3.22Å; E593-E596 PolarHBondContact O-N 3.25Å | ||
| 594 | K | 65.6 | Low | 71 | Confident | 194 Ų | 194 | 51 Ų | 51 | 84% | 0.843 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 99.5 | -178.6 | -173.7 | -167.9 | 172.5 | -170.9 | 0 | 111.6 | ||
| 595 | G | 75.8 | Confident | 71.9 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.1 | -22 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E593 K622 | E593-G595 PolarHBondContact O-N 3.45Å; G595-K622 PolarHBondContact O-NZ 2.91Å |
| 596 | E | 83.3 | Confident | 72.3 | Confident | 29 Ų | 29 | 49 Ų | 49 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | trans | -89.1 | 152.4 | 177.4 | -59.9 | 171.3 | 169.9 | 0 | 0 | 109.9 | C587 T592 E593 C621 | C587-E596 WeakPolarHBondContact CA-OE1 3.37Å; C587-E596 WeakPolarHBondContact CB-OE1 3.44Å; C587-E596 PolarHBondContact N-OE1 3.36Å; C587-E596 VanDerWaalsContact N-OE1 3.08Å; T592-E596 HydrophobicContact CG2-CB 3.86Å; E593-E596 PolarHBondContact N-OE2 3.22Å; E593-E596 PolarHBondContact O-N 3.25Å; E596-C621 WeakPolarHBondContact CA-O 3.35Å; E596-C621 HydrophobicContact CB-CB 3.92Å; E596-C621 HydrophobicContact CG-CB 3.62Å | ||
| 597 | E | 90.8 | Very high | 72.8 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 40% | 0.397 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -104.5 | -19 | 173.4 | -70.3 | 144.6 | -153 | 0 | 0 | 112.1 | C621 K622 L623 A642 | E597-C621 PolarHBondContact N-O 2.63Å; E597-K622 HydrophobicContact CG-CD 4.29Å; E597-K622 WeakPolarHBondContact OE1-CD 3.4Å; E597-K622 WeakPolarHBondContact OE1-CE 3.3Å; E597-K622 IonicContact OE1-NZ 3.51Å; E597-K622 PolarHBondContact OE1-NZ 3.13Å; E597-K622 WeakPolarHBondContact OE2-CD 3.33Å; E597-L623 HydrophobicContact CB-CD1 4.33Å; E597-L623 HydrophobicContact CB-CG 3.91Å; E597-L623 PolarHBondContact OE2-N 3.44Å; E597-L623 VanDerWaalsContact OE2-N 3.13Å; E597-A642 VanDerWaalsContact O-CB 3.29Å; E597-A642 WeakPolarHBondContact O-CB 3.2Å |
| 598 | C | 90.1 | Very high | 73.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -162.9 | 160.7 | 178.2 | 62.3 | 0 | 0 | 0 | 0 | 108 | T592 C612 C621 K622 L623 S639 | T592-C598 WeakPolarHBondContact OG1-CA 3.29Å; C598-C612 VanDerWaalsContact C-SG 3.51Å; C598-C612 HydrophobicContact CB-CB 3.71Å; C598-C612 WeakPolarHBondContact CB-SG 3.34Å; C598-C612 WeakPolarHBondContact SG-CA 3.46Å; C598-C612 WeakPolarHBondContact SG-CB 3.24Å; C598-C612 CovalentContact SG-SG 2.03Å; C598-C612 PolarHBondContact SG-SG 3.33Å; C598-C621 CarbonylContact O-C 3.54Å; C598-C621 VanDerWaalsContact O-CA 3.24Å; C598-C621 WeakPolarHBondContact O-CA 3.49Å; C598-C621 WeakPolarHBondContact O-CB 3.39Å; C598-K622 VanDerWaalsContact SG-C 3.53Å; C598-K622 PolarHBondContact SG-O 3.15Å; C598-L623 HydrophobicContact CB-CD2 4.03Å; C598-S639 WeakPolarHBondContact CB-OG 3.29Å | ||
| 599 | D | 84.2 | Confident | 74 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -140.2 | 117.3 | 162.1 | -177.2 | -1.6 | 0 | 0 | 0 | 110.2 | G588 N589 Q590 T592 G601 C621 T641 | G588-D599 VanDerWaalsContact CA-OD1 3.26Å; G588-D599 WeakPolarHBondContact CA-OD1 3.05Å; G588-D599 WeakPolarHBondContact CA-OD2 3.12Å; G588-D599 PolarHBondContact N-OD1 2.96Å; G588-D599 VanDerWaalsContact N-OD1 3.09Å; G588-D599 PolarHBondContact N-OD2 2.76Å; N589-D599 PolarHBondContact N-OD2 2.92Å; N589-D599 PolarHBondContact OD1-OD2 2.79Å; Q590-D599 VanDerWaalsContact N-CG 3.31Å; Q590-D599 PolarHBondContact N-OD2 2.74Å; T592-D599 PolarHBondContact OG1-N 3.18Å; D599-G601 PolarHBondContact OD1-N 2.76Å; D599-C621 PolarHBondContact OD1-SG 2.83Å; D599-T641 VanDerWaalsContact C-OG1 3.26Å; D599-T641 PolarHBondContact N-OG1 3.07Å; D599-T641 WeakPolarHBondContact O-CB 2.76Å; D599-T641 VanDerWaalsContact O-CG2 3.27Å; D599-T641 WeakPolarHBondContact O-CG2 2.67Å; D599-T641 PolarHBondContact O-OG1 2.89Å | ||
| 600 | C | 81.8 | Confident | 75.3 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | trans | -105.9 | 9.5 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 114 | C607 D609 C612 | C600-C607 HydrophobicContact CB-CB 3.79Å; C600-C607 WeakPolarHBondContact CB-SG 3.42Å; C600-C607 WeakPolarHBondContact O-CA 3.48Å; C600-C607 WeakPolarHBondContact SG-CB 3.3Å; C600-C607 CovalentContact SG-SG 2.03Å; C600-C607 PolarHBondContact SG-SG 3.28Å; C600-D609 HydrophobicContact CB-CB 3.87Å; C600-C612 HydrophobicContact CB-CB 3.81Å | ||
| 601 | G | 68.9 | Low | 76.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | trans | 98.3 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D599 T603 R615 | D599-G601 PolarHBondContact OD1-N 2.76Å; G601-T603 PolarHBondContact O-N 2.79Å; G601-R615 PolarHBondContact O-N 3.2Å | ||
| 602 | F | 67 | Low | 78.4 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69 | -38.5 | -163 | -158.4 | -74 | 0 | 0 | 0 | 114.9 | F586 R615 D616 | F586-F602 HydrophobicContact CE1-CD2 4.13Å; F586-F602 HydrophobicContact CE1-CE2 4.4Å; F586-F602 HydrophobicContact CZ-CD2 4.13Å; F586-F602 AromaticContact CZ-CE2 3.96Å; F586-F602 HydrophobicContact CZ-CE2 3.96Å; F602-R615 VanDerWaalsContact CD2-CD 3.46Å; F602-R615 HydrophobicContact CG-CB 4.41Å; F602-R615 WeakPolarHBondContact O-CB 3.42Å; F602-R615 PolarHBondContact O-N 3.09Å; F602-D616 PolarHBondContact O-N 2.76Å |
| 603 | T | 72.7 | Confident | 79.4 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -124.9 | 154.7 | -171.7 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | S57 G601 A605 N606 C607 D616 | S57-T603 WeakPolarHBondContact CB-OG1 3.35Å; G601-T603 PolarHBondContact O-N 2.79Å; T603-A605 PolarHBondContact O-N 2.97Å; T603-N606 PolarHBondContact O-N 3.26Å; T603-N606 PolarHBondContact OG1-ND2 2.99Å; T603-N606 VanDerWaalsContact OG1-ND2 3.13Å; T603-N606 PolarHBondContact OG1-OD1 3.22Å; T603-C607 WeakPolarHBondContact O-CB 3.49Å; T603-C607 PolarHBondContact O-N 3.43Å; T603-D616 WeakPolarHBondContact CA-OD2 3.48Å; T603-D616 WeakPolarHBondContact CB-OD2 3.45Å |
| 604 | R | 77.7 | Confident | 80.3 | Confident | 203 Ų | 203 | 52.3 Ų | 52.3 | 77% | 0.766 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -23.4 | 175.5 | -159.5 | 176.9 | -149.8 | 148.6 | 7.8 | 115.2 | P614 D616 | R604-P614 HydrophobicContact CB-CG 4.22Å; R604-D616 PolarHBondContact N-OD1 3.47Å; R604-D616 PolarHBondContact N-OD2 2.93Å; R604-D616 VanDerWaalsContact N-OD2 3.11Å |
| 605 | A | 71.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 49% | 0.488 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -16.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | T603 H608 | T603-A605 PolarHBondContact O-N 2.97Å; A605-H608 PolarHBondContact O-CE1 3.36Å; A605-H608 VanDerWaalsContact O-CE1 3.31Å |
| 606 | N | 63.5 | Low | 81.4 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -30.5 | 171.7 | -55.4 | -20.4 | 0 | 0 | 0 | 111.9 | S57 K58 T59 T603 H608 | S57-N606 VanDerWaalsContact CB-OD1 3.26Å; S57-N606 WeakPolarHBondContact CB-OD1 3.19Å; K58-N606 VanDerWaalsContact C-CG 3.46Å; K58-N606 VanDerWaalsContact C-ND2 3.34Å; K58-N606 WeakPolarHBondContact CA-ND2 3.48Å; K58-N606 PolarHBondContact N-ND2 3.31Å; K58-N606 VanDerWaalsContact N-ND2 3.15Å; K58-N606 PolarHBondContact N-OD1 3.49Å; K58-N606 PolarHBondContact O-ND2 3.45Å; K58-N606 PolarHBondContact O-OD1 2.84Å; T59-N606 PolarHBondContact N-OD1 2.98Å; T603-N606 PolarHBondContact O-N 3.26Å; T603-N606 PolarHBondContact OG1-ND2 2.99Å; T603-N606 VanDerWaalsContact OG1-ND2 3.13Å; T603-N606 PolarHBondContact OG1-OD1 3.22Å; N606-H608 VanDerWaalsContact C-N 3.25Å; N606-H608 PolarHBondContact O-CD2 3.28Å; N606-H608 PolarHBondContact O-N 2.86Å |
| 607 | C | 73.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 12% | 0.122 | 23% | 0.234 | C | C | . | . | trans | -71.9 | 78.8 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | C600 T603 D609 C612 P614 | C600-C607 HydrophobicContact CB-CB 3.79Å; C600-C607 WeakPolarHBondContact CB-SG 3.42Å; C600-C607 WeakPolarHBondContact O-CA 3.48Å; C600-C607 WeakPolarHBondContact SG-CB 3.3Å; C600-C607 CovalentContact SG-SG 2.03Å; C600-C607 PolarHBondContact SG-SG 3.28Å; T603-C607 WeakPolarHBondContact O-CB 3.49Å; T603-C607 PolarHBondContact O-N 3.43Å; C607-D609 PolarHBondContact O-N 3.34Å; C607-D609 PolarHBondContact SG-O 2.78Å; C607-D609 VanDerWaalsContact SG-O 3.42Å; C607-C612 PolarHBondContact SG-O 3.24Å; C607-C612 VanDerWaalsContact SG-O 3.38Å; C607-P614 HydrophobicContact CB-CB 3.85Å; C607-P614 HydrophobicContact CB-CG 4.32Å | ||
| 608 | H | 80.7 | Confident | 81.3 | Confident | 136 Ų | 136 | 49.8 Ų | 49.8 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | trans | -70.7 | -21.4 | 173.4 | -56.1 | -40.6 | 0 | 0 | 0 | 112 | A605 N606 K610 | A605-H608 PolarHBondContact O-CE1 3.36Å; A605-H608 VanDerWaalsContact O-CE1 3.31Å; N606-H608 VanDerWaalsContact C-N 3.25Å; N606-H608 PolarHBondContact O-CD2 3.28Å; N606-H608 PolarHBondContact O-N 2.86Å; H608-K610 PolarHBondContact O-N 3.39Å | ||
| 609 | D | 85.2 | Confident | 81.3 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | trans | -73.6 | 100.1 | 173.7 | 179.9 | 9.6 | 0 | 0 | 0 | 111.6 | C600 C607 C611 C612 S639 P640 T641 | C600-D609 HydrophobicContact CB-CB 3.87Å; C607-D609 PolarHBondContact O-N 3.34Å; C607-D609 PolarHBondContact SG-O 2.78Å; C607-D609 VanDerWaalsContact SG-O 3.42Å; D609-C611 PolarHBondContact O-N 3.48Å; D609-C611 VanDerWaalsContact O-N 3.13Å; D609-C611 WeakPolarHBondContact OD1-CA 3.03Å; D609-C611 WeakPolarHBondContact OD1-CB 3.41Å; D609-C611 PolarHBondContact OD1-N 3.09Å; D609-C611 PolarHBondContact OD1-SG 3.4Å; D609-C612 HydrophobicContact CB-CB 4.43Å; D609-C612 PolarHBondContact O-N 2.75Å; D609-C612 WeakPolarHBondContact OD2-CB 3.26Å; D609-S639 VanDerWaalsContact OD2-CB 3.24Å; D609-S639 WeakPolarHBondContact OD2-CB 3.45Å; D609-S639 PolarHBondContact OD2-OG 2.87Å; D609-P640 WeakPolarHBondContact OD1-CD 3.29Å; D609-T641 HydrophobicContact CB-CG2 4.32Å | ||
| 610 | K | 90.2 | Very high | 81.4 | Confident | 141 Ų | 141 | 54.6 Ų | 54.6 | 61% | 0.613 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.7 | 176.9 | -58.1 | 167.4 | -169.3 | 162.6 | 0 | 113.4 | H608 C612 V627 | H608-K610 PolarHBondContact O-N 3.39Å; K610-C612 VanDerWaalsContact C-N 3.34Å; K610-V627 HydrophobicContact CB-CG1 4.3Å; K610-V627 WeakPolarHBondContact O-CG1 3.41Å |
| 611 | C | 93.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -15.7 | -177.7 | -43 | 0 | 0 | 0 | 0 | 112.7 | D609 L623 V624 V636 C638 C650 | D609-C611 PolarHBondContact O-N 3.48Å; D609-C611 VanDerWaalsContact O-N 3.13Å; D609-C611 WeakPolarHBondContact OD1-CA 3.03Å; D609-C611 WeakPolarHBondContact OD1-CB 3.41Å; D609-C611 PolarHBondContact OD1-N 3.09Å; D609-C611 PolarHBondContact OD1-SG 3.4Å; C611-L623 WeakPolarHBondContact O-CA 3.47Å; C611-V624 PolarHBondContact O-N 2.72Å; C611-V636 HydrophobicContact CB-CG1 4.06Å; C611-C638 VanDerWaalsContact CB-O 3.31Å; C611-C638 WeakPolarHBondContact CB-O 3.45Å; C611-C650 WeakPolarHBondContact CA-SG 3.44Å; C611-C650 HydrophobicContact CB-CB 3.75Å; C611-C650 WeakPolarHBondContact CB-SG 3.15Å; C611-C650 WeakPolarHBondContact SG-CA 3.21Å; C611-C650 WeakPolarHBondContact SG-CB 3.3Å; C611-C650 CovalentContact SG-SG 2.02Å; C611-C650 PolarHBondContact SG-SG 3.37Å |
| 612 | C | 93.7 | Very high | 82.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -118.1 | 149.5 | -171.3 | -167.2 | 0 | 0 | 0 | 0 | 112.7 | C598 C600 C607 D609 K610 | C598-C612 VanDerWaalsContact C-SG 3.51Å; C598-C612 HydrophobicContact CB-CB 3.71Å; C598-C612 WeakPolarHBondContact CB-SG 3.34Å; C598-C612 WeakPolarHBondContact SG-CA 3.46Å; C598-C612 WeakPolarHBondContact SG-CB 3.24Å; C598-C612 CovalentContact SG-SG 2.03Å; C598-C612 PolarHBondContact SG-SG 3.33Å; C600-C612 HydrophobicContact CB-CB 3.81Å; C607-C612 PolarHBondContact SG-O 3.24Å; C607-C612 VanDerWaalsContact SG-O 3.38Å; D609-C612 HydrophobicContact CB-CB 4.43Å; D609-C612 PolarHBondContact O-N 2.75Å; D609-C612 WeakPolarHBondContact OD2-CB 3.26Å; K610-C612 VanDerWaalsContact C-N 3.34Å |
| 613 | H | 92.9 | Very high | 84.2 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 20% | 0.199 | 30% | 0.301 | C | S | . | . | trans | -90.2 | 124.9 | 171.4 | -85.2 | -78.9 | 0 | 0 | 0 | 111.6 | S617 S619 C621 K622 | H613-S617 WeakPolarHBondContact CB-OG 3.25Å; H613-S619 WeakPolarHBondContact CB-O 3.33Å; H613-S619 PolarHBondContact CD2-OG 3.37Å; H613-S619 VanDerWaalsContact CG-OG 3.29Å; H613-S619 PolarHBondContact ND1-OG 2.91Å; H613-C621 PolarHBondContact O-N 2.81Å; H613-K622 WeakPolarHBondContact CB-O 3.37Å; H613-K622 PolarHBondContact N-O 3.11Å | ||
| 614 | P | 84.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -66.7 | 162.8 | 175.8 | 29 | -36.3 | 0 | 0 | 0 | 112.1 | R604 C607 D616 S617 | R604-P614 HydrophobicContact CB-CG 4.22Å; C607-P614 HydrophobicContact CB-CB 3.85Å; C607-P614 HydrophobicContact CB-CG 4.32Å; P614-D616 WeakPolarHBondContact CB-OD1 3.37Å; P614-D616 WeakPolarHBondContact CG-OD1 3.24Å; P614-D616 PolarHBondContact O-N 3.19Å; P614-S617 WeakPolarHBondContact O-CB 3.24Å; P614-S617 PolarHBondContact O-N 3.3Å; P614-S617 VanDerWaalsContact O-N 3.09Å; P614-S617 PolarHBondContact O-OG 3.21Å | ||
| 615 | R | 80.9 | Confident | 85.8 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34 | 177.1 | -166.6 | -150.7 | 179.7 | 106.4 | -11.1 | 113.3 | F586 C587 G601 F602 S617 | F586-R615 VanDerWaalsContact CD2-NH1 3.28Å; C587-R615 HydrophobicContact CB-CG 4.2Å; C587-R615 WeakPolarHBondContact O-CB 3.44Å; C587-R615 WeakPolarHBondContact O-CD 3.5Å; C587-R615 WeakPolarHBondContact O-CG 3.29Å; C587-R615 PolarHBondContact O-NH1 3.46Å; G601-R615 PolarHBondContact O-N 3.2Å; F602-R615 VanDerWaalsContact CD2-CD 3.46Å; F602-R615 HydrophobicContact CG-CB 4.41Å; F602-R615 WeakPolarHBondContact O-CB 3.42Å; F602-R615 PolarHBondContact O-N 3.09Å; R615-S617 PolarHBondContact O-N 3.02Å |
| 616 | D | 82.4 | Confident | 86.7 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 5 | 178.2 | 71.2 | -9.9 | 0 | 0 | 0 | 114.9 | F602 T603 R604 P614 | F602-D616 PolarHBondContact O-N 2.76Å; T603-D616 WeakPolarHBondContact CA-OD2 3.48Å; T603-D616 WeakPolarHBondContact CB-OD2 3.45Å; R604-D616 PolarHBondContact N-OD1 3.47Å; R604-D616 PolarHBondContact N-OD2 2.93Å; R604-D616 VanDerWaalsContact N-OD2 3.11Å; P614-D616 WeakPolarHBondContact CB-OD1 3.37Å; P614-D616 WeakPolarHBondContact CG-OD1 3.24Å; P614-D616 PolarHBondContact O-N 3.19Å |
| 617 | S | 86.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -95.8 | 170 | 176.9 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | H613 P614 R615 S619 | H613-S617 WeakPolarHBondContact CB-OG 3.25Å; P614-S617 WeakPolarHBondContact O-CB 3.24Å; P614-S617 PolarHBondContact O-N 3.3Å; P614-S617 VanDerWaalsContact O-N 3.09Å; P614-S617 PolarHBondContact O-OG 3.21Å; R615-S617 PolarHBondContact O-N 3.02Å; S617-S619 PolarHBondContact O-N 3.2Å; S617-S619 PolarHBondContact OG-N 3.01Å |
| 618 | A | 86.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 93% | 0.926 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -69.7 | -9.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 619 | S | 89.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -138.8 | 64.1 | -177.1 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | H613 S617 C621 K622 | H613-S619 WeakPolarHBondContact CB-O 3.33Å; H613-S619 PolarHBondContact CD2-OG 3.37Å; H613-S619 VanDerWaalsContact CG-OG 3.29Å; H613-S619 PolarHBondContact ND1-OG 2.91Å; S617-S619 PolarHBondContact O-N 3.2Å; S617-S619 PolarHBondContact OG-N 3.01Å; S619-C621 PolarHBondContact O-N 3.36Å; S619-K622 WeakPolarHBondContact O-CB 3.44Å; S619-K622 PolarHBondContact O-N 3.26Å |
| 620 | P | 85.9 | Confident | 88 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 132.6 | -169.6 | 25.6 | -36.2 | 0 | 0 | 0 | 112.5 | C587 K622 | C587-P620 HydrophobicContact CB-CB 4.39Å; P620-K622 VanDerWaalsContact C-N 3.28Å; P620-K622 PolarHBondContact O-N 3.07Å |
| 621 | C | 86.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 37 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 114.6 | C587 E596 E597 C598 D599 H613 S619 | C587-C621 WeakPolarHBondContact CA-SG 3.49Å; C587-C621 HydrophobicContact CB-CB 3.71Å; C587-C621 WeakPolarHBondContact CB-SG 3.4Å; C587-C621 WeakPolarHBondContact SG-CB 3.44Å; C587-C621 PolarHBondContact SG-N 3.42Å; C587-C621 CovalentContact SG-SG 2.02Å; C587-C621 PolarHBondContact SG-SG 2.77Å; E596-C621 WeakPolarHBondContact CA-O 3.35Å; E596-C621 HydrophobicContact CB-CB 3.92Å; E596-C621 HydrophobicContact CG-CB 3.62Å; E597-C621 PolarHBondContact N-O 2.63Å; C598-C621 CarbonylContact O-C 3.54Å; C598-C621 VanDerWaalsContact O-CA 3.24Å; C598-C621 WeakPolarHBondContact O-CA 3.49Å; C598-C621 WeakPolarHBondContact O-CB 3.39Å; D599-C621 PolarHBondContact OD1-SG 2.83Å; H613-C621 PolarHBondContact O-N 2.81Å; S619-C621 PolarHBondContact O-N 3.36Å |
| 622 | K | 94.2 | Very high | 87 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | trans | -115.4 | 153.9 | 172.4 | -64.4 | -61.2 | -174.4 | -175.4 | 0 | 111.3 | G595 E597 C598 H613 S619 P620 | G595-K622 PolarHBondContact O-NZ 2.91Å; E597-K622 HydrophobicContact CG-CD 4.29Å; E597-K622 WeakPolarHBondContact OE1-CD 3.4Å; E597-K622 WeakPolarHBondContact OE1-CE 3.3Å; E597-K622 IonicContact OE1-NZ 3.51Å; E597-K622 PolarHBondContact OE1-NZ 3.13Å; E597-K622 WeakPolarHBondContact OE2-CD 3.33Å; C598-K622 VanDerWaalsContact SG-C 3.53Å; C598-K622 PolarHBondContact SG-O 3.15Å; H613-K622 WeakPolarHBondContact CB-O 3.37Å; H613-K622 PolarHBondContact N-O 3.11Å; S619-K622 WeakPolarHBondContact O-CB 3.44Å; S619-K622 PolarHBondContact O-N 3.26Å; P620-K622 VanDerWaalsContact C-N 3.28Å; P620-K622 PolarHBondContact O-N 3.07Å | ||
| 623 | L | 94.8 | Very high | 86.6 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 141.7 | 174.9 | -66.6 | 172.9 | 0 | 0 | 0 | 110.5 | E597 C598 C611 V636 | E597-L623 HydrophobicContact CB-CD1 4.33Å; E597-L623 HydrophobicContact CB-CG 3.91Å; E597-L623 PolarHBondContact OE2-N 3.44Å; E597-L623 VanDerWaalsContact OE2-N 3.13Å; C598-L623 HydrophobicContact CB-CD2 4.03Å; C611-L623 WeakPolarHBondContact O-CA 3.47Å; L623-V636 HydrophobicContact CB-CG1 3.91Å; L623-V636 HydrophobicContact CD1-CG1 4.26Å; L623-V636 HydrophobicContact CD2-CG1 3.85Å; L623-V636 HydrophobicContact CG-CG1 4.21Å |
| 624 | V | 93.1 | Very high | 86.3 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | trans | -71.9 | 130.3 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | C611 S626 V636 | C611-V624 PolarHBondContact O-N 2.72Å; V624-S626 PolarHBondContact O-N 2.82Å; V624-V636 HydrophobicContact CB-CG2 4.43Å; V624-V636 WeakPolarHBondContact O-CB 3.23Å; V624-V636 WeakPolarHBondContact O-CG2 3.26Å | ||
| 625 | N | 91.5 | Very high | 86.7 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 78% | 0.775 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -52.5 | -37.5 | -175.5 | -68.9 | -26 | 0 | 0 | 0 | 114.4 | ||
| 626 | S | 89.4 | Confident | 87.3 | Confident | 37 Ų | 37 | 72 Ų | 72 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 149 | 177.5 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | V624 Q633 R634 | V624-S626 PolarHBondContact O-N 2.82Å; S626-Q633 PolarHBondContact OG-NE2 3.33Å; S626-R634 CarbonylContact C-O 3.22Å; S626-R634 VanDerWaalsContact CA-O 3.26Å; S626-R634 WeakPolarHBondContact CA-O 3.44Å; S626-R634 WeakPolarHBondContact CB-O 3.28Å |
| 627 | V | 88 | Confident | 87.8 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 147.7 | 177.9 | -73.9 | 0 | 0 | 0 | 0 | 110.9 | K610 I629 R634 V636 C650 | K610-V627 HydrophobicContact CB-CG1 4.3Å; K610-V627 WeakPolarHBondContact O-CG1 3.41Å; V627-I629 HydrophobicContact CB-CD1 4.29Å; V627-I629 HydrophobicContact CB-CG1 4.39Å; V627-I629 HydrophobicContact CG2-CD1 3.42Å; V627-I629 VanDerWaalsContact CG2-CD1 3.42Å; V627-I629 HydrophobicContact CG2-CG1 4Å; V627-R634 PolarHBondContact N-O 3.14Å; V627-R634 PolarHBondContact O-N 2.89Å; V627-V636 HydrophobicContact CB-CG2 4.38Å; V627-V636 HydrophobicContact CG1-CG2 3.77Å; V627-V636 HydrophobicContact CG2-CG2 3.87Å; V627-C650 HydrophobicContact CG2-CB 4.07Å |
| 628 | F | 86.5 | Confident | 88.1 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.1 | 171 | -80.9 | -92.1 | 0 | 0 | 0 | 110.1 | A632 Q633 | F628-A632 WeakPolarHBondContact CA-O 3.4Å; F628-Q633 HydrophobicContact CD1-CB 4.21Å; F628-Q633 HydrophobicContact CE1-CB 3.76Å; F628-Q633 HydrophobicContact CE1-CG 4.39Å; F628-Q633 HydrophobicContact CE2-CB 4.28Å; F628-Q633 HydrophobicContact CE2-CG 4.01Å; F628-Q633 HydrophobicContact CZ-CB 3.79Å; F628-Q633 HydrophobicContact CZ-CG 3.95Å |
| 629 | I | 76.9 | Confident | 88.4 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 127.6 | -177.5 | -62.5 | 163.3 | 0 | 0 | 0 | 107.8 | V627 H631 A632 N649 | V627-I629 HydrophobicContact CB-CD1 4.29Å; V627-I629 HydrophobicContact CB-CG1 4.39Å; V627-I629 HydrophobicContact CG2-CD1 3.42Å; V627-I629 VanDerWaalsContact CG2-CD1 3.42Å; V627-I629 HydrophobicContact CG2-CG1 4Å; I629-H631 VanDerWaalsContact C-N 3.26Å; I629-H631 PolarHBondContact O-N 2.65Å; I629-A632 PolarHBondContact N-O 3.09Å; I629-A632 PolarHBondContact O-N 3.24Å; I629-N649 VanDerWaalsContact CD1-CA 3.47Å; I629-N649 HydrophobicContact CD1-CB 3.81Å; I629-N649 WeakPolarHBondContact CD1-O 3.49Å; I629-N649 HydrophobicContact CG2-CB 4.33Å; I629-N649 WeakPolarHBondContact CG2-OD1 3.18Å |
| 630 | D | 79.1 | Confident | 88.2 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 39.5 | -178.8 | -45.5 | -34.5 | 0 | 0 | 0 | 113.1 | A632 R634 | D630-A632 PolarHBondContact O-N 3.07Å; D630-A632 VanDerWaalsContact O-N 3.13Å; D630-R634 IonicContact OD2-CZ 3.71Å; D630-R634 IonicContact OD2-NH2 3.92Å; D630-R634 PolarHBondContact OD2-NH2 2.83Å |
| 631 | H | 80 | Confident | 88 | Confident | 196 Ų | 196 | 63.8 Ų | 63.8 | 91% | 0.907 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 3.8 | -172.8 | -50 | 87.6 | 0 | 0 | 0 | 115.8 | I629 | I629-H631 VanDerWaalsContact C-N 3.26Å; I629-H631 PolarHBondContact O-N 2.65Å |
| 632 | A | 83 | Confident | 87.8 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F628 I629 D630 R634 | F628-A632 WeakPolarHBondContact CA-O 3.4Å; I629-A632 PolarHBondContact N-O 3.09Å; I629-A632 PolarHBondContact O-N 3.24Å; D630-A632 PolarHBondContact O-N 3.07Å; D630-A632 VanDerWaalsContact O-N 3.13Å; A632-R634 PolarHBondContact O-N 3.27Å |
| 633 | Q | 86.3 | Confident | 87.1 | Confident | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.1 | 167.6 | -169.2 | 175.3 | -0.2 | 0 | 0 | 108.9 | S626 F628 | S626-Q633 PolarHBondContact OG-NE2 3.33Å; F628-Q633 HydrophobicContact CD1-CB 4.21Å; F628-Q633 HydrophobicContact CE1-CB 3.76Å; F628-Q633 HydrophobicContact CE1-CG 4.39Å; F628-Q633 HydrophobicContact CE2-CB 4.28Å; F628-Q633 HydrophobicContact CE2-CG 4.01Å; F628-Q633 HydrophobicContact CZ-CB 3.79Å; F628-Q633 HydrophobicContact CZ-CG 3.95Å |
| 634 | R | 85.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.2 | 178.6 | -54.8 | -169.2 | -167 | -165.1 | 8.6 | 110.3 | S626 V627 D630 A632 | S626-R634 CarbonylContact C-O 3.22Å; S626-R634 VanDerWaalsContact CA-O 3.26Å; S626-R634 WeakPolarHBondContact CA-O 3.44Å; S626-R634 WeakPolarHBondContact CB-O 3.28Å; V627-R634 PolarHBondContact N-O 3.14Å; V627-R634 PolarHBondContact O-N 2.89Å; D630-R634 IonicContact OD2-CZ 3.71Å; D630-R634 IonicContact OD2-NH2 3.92Å; D630-R634 PolarHBondContact OD2-NH2 2.83Å; A632-R634 PolarHBondContact O-N 3.27Å |
| 635 | T | 91.9 | Very high | 86.5 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.6 | 169.4 | -45.8 | 0 | 0 | 0 | 0 | 109.5 | Q651 | T635-Q651 PolarHBondContact O-NE2 3.02Å |
| 636 | V | 94 | Very high | 86.6 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | trans | -74.2 | 128.2 | 171.2 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | C611 L623 V624 V627 C638 C650 | C611-V636 HydrophobicContact CB-CG1 4.06Å; L623-V636 HydrophobicContact CB-CG1 3.91Å; L623-V636 HydrophobicContact CD1-CG1 4.26Å; L623-V636 HydrophobicContact CD2-CG1 3.85Å; L623-V636 HydrophobicContact CG-CG1 4.21Å; V624-V636 HydrophobicContact CB-CG2 4.43Å; V624-V636 WeakPolarHBondContact O-CB 3.23Å; V624-V636 WeakPolarHBondContact O-CG2 3.26Å; V627-V636 HydrophobicContact CB-CG2 4.38Å; V627-V636 HydrophobicContact CG1-CG2 3.77Å; V627-V636 HydrophobicContact CG2-CG2 3.87Å; V636-C638 WeakPolarHBondContact CG1-O 3.35Å; V636-C650 HydrophobicContact CB-CB 4.18Å; V636-C650 HydrophobicContact CG1-CB 4.05Å; V636-C650 HydrophobicContact CG2-CB 3.8Å | ||
| 637 | Q | 93.7 | Very high | 86.6 | Confident | 95 Ų | 95 | 51.7 Ų | 51.7 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | trans | -103.2 | -28.5 | 173.2 | -61.3 | -173.7 | -15.8 | 0 | 0 | 111.8 | C650 Q651 Y652 | Q637-C650 PolarHBondContact N-O 3.48Å; Q637-Q651 VanDerWaalsContact CD-OE1 3.31Å; Q637-Y652 HydrophobicContact CB-CD2 4.16Å; Q637-Y652 HydrophobicContact CB-CE2 3.79Å; Q637-Y652 PolarHBondContact O-OH 2.87Å; Q637-Y652 VanDerWaalsContact O-OH 3.06Å | ||
| 638 | C | 93.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | trans | -157.3 | 171.2 | -177.4 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | C611 V636 C646 C650 Y652 | C611-C638 VanDerWaalsContact CB-O 3.31Å; C611-C638 WeakPolarHBondContact CB-O 3.45Å; V636-C638 WeakPolarHBondContact CG1-O 3.35Å; C638-C646 HydrophobicContact CB-CB 3.82Å; C638-C646 WeakPolarHBondContact CB-SG 3.37Å; C638-C646 PolarHBondContact O-SG 3.3Å; C638-C646 VanDerWaalsContact SG-CA 3.57Å; C638-C646 WeakPolarHBondContact SG-CB 3.48Å; C638-C646 CovalentContact SG-SG 2.04Å; C638-C646 PolarHBondContact SG-SG 3.42Å; C638-C650 PolarHBondContact N-O 3.3Å; C638-C650 WeakPolarHBondContact O-CA 3.17Å; C638-Y652 HydrophobicContact CB-CD1 3.96Å; C638-Y652 HydrophobicContact CB-CE1 3.47Å; C638-Y652 VanDerWaalsContact CB-CE1 3.47Å | ||
| 639 | S | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -118 | 142.9 | 168.2 | 146.7 | 0 | 0 | 0 | 0 | 109.8 | C598 D609 T641 A642 G643 C646 | C598-S639 WeakPolarHBondContact CB-OG 3.29Å; D609-S639 VanDerWaalsContact OD2-CB 3.24Å; D609-S639 WeakPolarHBondContact OD2-CB 3.45Å; D609-S639 PolarHBondContact OD2-OG 2.87Å; S639-T641 VanDerWaalsContact C-N 3.25Å; S639-T641 PolarHBondContact O-N 3.28Å; S639-T641 PolarHBondContact OG-N 3.23Å; S639-T641 PolarHBondContact OG-OG1 3.49Å; S639-T641 VanDerWaalsContact OG-OG1 3.08Å; S639-A642 WeakPolarHBondContact O-CB 3.03Å; S639-A642 PolarHBondContact O-N 2.98Å; S639-A642 PolarHBondContact OG-N 3.22Å; S639-G643 PolarHBondContact O-N 2.99Å; S639-C646 VanDerWaalsContact C-CB 3.49Å; S639-C646 VanDerWaalsContact C-SG 3.56Å; S639-C646 PolarHBondContact N-SG 3.31Å; S639-C646 WeakPolarHBondContact O-CB 3.33Å | ||
| 640 | P | 86 | Confident | 87.5 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -51.3 | -37 | 166.6 | -30.8 | 37 | 0 | 0 | 0 | 114.7 | T116 D609 A642 G643 C646 | T116-P640 WeakPolarHBondContact CG2-O 3.3Å; D609-P640 WeakPolarHBondContact OD1-CD 3.29Å; P640-A642 VanDerWaalsContact C-N 3.29Å; P640-A642 PolarHBondContact O-N 3.43Å; P640-G643 CarbonylContact O-C 3.51Å; P640-G643 PolarHBondContact O-N 3.47Å; P640-C646 HydrophobicContact CG-CB 4.48Å |
| 641 | T | 82.4 | Confident | 88.2 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.1 | -179.1 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | D599 D609 S639 G643 | D599-T641 VanDerWaalsContact C-OG1 3.26Å; D599-T641 PolarHBondContact N-OG1 3.07Å; D599-T641 WeakPolarHBondContact O-CB 2.76Å; D599-T641 VanDerWaalsContact O-CG2 3.27Å; D599-T641 WeakPolarHBondContact O-CG2 2.67Å; D599-T641 PolarHBondContact O-OG1 2.89Å; D609-T641 HydrophobicContact CB-CG2 4.32Å; S639-T641 VanDerWaalsContact C-N 3.25Å; S639-T641 PolarHBondContact O-N 3.28Å; S639-T641 PolarHBondContact OG-N 3.23Å; S639-T641 PolarHBondContact OG-OG1 3.49Å; S639-T641 VanDerWaalsContact OG-OG1 3.08Å; T641-G643 VanDerWaalsContact C-N 3.28Å; T641-G643 PolarHBondContact O-N 2.88Å |
| 642 | A | 82.7 | Confident | 88.9 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E597 S639 P640 S676 | E597-A642 VanDerWaalsContact O-CB 3.29Å; E597-A642 WeakPolarHBondContact O-CB 3.2Å; S639-A642 WeakPolarHBondContact O-CB 3.03Å; S639-A642 PolarHBondContact O-N 2.98Å; S639-A642 PolarHBondContact OG-N 3.22Å; P640-A642 VanDerWaalsContact C-N 3.29Å; P640-A642 PolarHBondContact O-N 3.43Å; A642-S676 PolarHBondContact O-OG 3.23Å |
| 643 | G | 79.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 163.1 | 144.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | T116 S639 P640 T641 C645 C646 S676 | T116-G643 WeakPolarHBondContact OG1-CA 3.49Å; S639-G643 PolarHBondContact O-N 2.99Å; P640-G643 CarbonylContact O-C 3.51Å; P640-G643 PolarHBondContact O-N 3.47Å; T641-G643 VanDerWaalsContact C-N 3.28Å; T641-G643 PolarHBondContact O-N 2.88Å; G643-C645 PolarHBondContact O-N 2.86Å; G643-C646 PolarHBondContact O-N 3.13Å; G643-S676 CarbonylContact C-O 3.5Å; G643-S676 WeakPolarHBondContact CA-O 3.45Å | ||
| 644 | V | 83.1 | Confident | 89.7 | Confident | 25 Ų | 25 | 43.2 Ų | 43.2 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.7 | -179 | -62.6 | 0 | 0 | 0 | 0 | 115.8 | G114 T116 C646 R653 C659 S676 C678 | G114-V644 WeakPolarHBondContact O-CG1 3.45Å; T116-V644 HydrophobicContact CG2-CG1 3.71Å; T116-V644 PolarHBondContact OG1-N 3.42Å; V644-C646 PolarHBondContact O-N 3.4Å; V644-R653 WeakPolarHBondContact O-CD 3.49Å; V644-R653 PolarHBondContact O-NE 2.89Å; V644-R653 VanDerWaalsContact O-NE 3.12Å; V644-C659 HydrophobicContact CG2-CB 3.85Å; V644-S676 PolarHBondContact N-O 3Å; V644-C678 HydrophobicContact CG2-CB 3.68Å |
| 645 | C | 92 | Very high | 90 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 14.7 | 177.5 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | G643 Y652 R653 C659 C671 M675 S676 | G643-C645 PolarHBondContact O-N 2.86Å; C645-Y652 CarbonylContact O-C 3.49Å; C645-Y652 WeakPolarHBondContact O-CA 3.21Å; C645-R653 PolarHBondContact O-N 3.43Å; C645-C659 VanDerWaalsContact SG-CB 3.58Å; C645-C671 WeakPolarHBondContact CA-SG 3.29Å; C645-C671 HydrophobicContact CB-CB 3.64Å; C645-C671 WeakPolarHBondContact CB-SG 3.4Å; C645-C671 WeakPolarHBondContact SG-CA 3.21Å; C645-C671 WeakPolarHBondContact SG-CB 3.44Å; C645-C671 CovalentContact SG-SG 2.03Å; C645-C671 PolarHBondContact SG-SG 3.45Å; C645-M675 WeakPolarHBondContact CB-O 3.35Å; C645-S676 WeakPolarHBondContact CA-O 3.48Å; C645-S676 VanDerWaalsContact CB-O 3.23Å; C645-S676 WeakPolarHBondContact CB-O 3.18Å; C645-S676 PolarHBondContact N-O 3.06Å |
| 646 | C | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -94.2 | 150.7 | 158.1 | -157.9 | 0 | 0 | 0 | 0 | 111.4 | C638 S639 P640 G643 V644 R653 | C638-C646 HydrophobicContact CB-CB 3.82Å; C638-C646 WeakPolarHBondContact CB-SG 3.37Å; C638-C646 PolarHBondContact O-SG 3.3Å; C638-C646 VanDerWaalsContact SG-CA 3.57Å; C638-C646 WeakPolarHBondContact SG-CB 3.48Å; C638-C646 CovalentContact SG-SG 2.04Å; C638-C646 PolarHBondContact SG-SG 3.42Å; S639-C646 VanDerWaalsContact C-CB 3.49Å; S639-C646 VanDerWaalsContact C-SG 3.56Å; S639-C646 PolarHBondContact N-SG 3.31Å; S639-C646 WeakPolarHBondContact O-CB 3.33Å; P640-C646 HydrophobicContact CG-CB 4.48Å; G643-C646 PolarHBondContact O-N 3.13Å; V644-C646 PolarHBondContact O-N 3.4Å; C646-R653 PolarHBondContact O-NE 3.18Å; C646-R653 PolarHBondContact O-NH2 3Å |
| 647 | T | 90.5 | Very high | 89.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | trans | -90.1 | 158.1 | 167.7 | 56 | 0 | 0 | 0 | 0 | 110.5 | N649 C650 Q651 R653 | T647-N649 PolarHBondContact O-N 3.2Å; T647-N649 VanDerWaalsContact O-N 3.08Å; T647-N649 PolarHBondContact OG1-N 3.22Å; T647-C650 PolarHBondContact O-N 3.14Å; T647-Q651 WeakPolarHBondContact CB-O 3.45Å; T647-Q651 PolarHBondContact N-O 2.71Å; T647-Q651 PolarHBondContact OG1-N 3.41Å; T647-Q651 VanDerWaalsContact OG1-N 3.17Å; T647-Q651 PolarHBondContact OG1-O 2.99Å; T647-R653 HydrophobicContact CG2-CG 3.65Å | ||
| 648 | E | 87.9 | Confident | 89.4 | Confident | 147 Ų | 147 | 49.8 Ų | 49.8 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16 | 166.2 | -65.3 | 172.4 | -149.1 | 0 | 0 | 112.8 | C650 | E648-C650 VanDerWaalsContact C-N 3.26Å; E648-C650 PolarHBondContact O-N 3.34Å |
| 649 | N | 89.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 14.5 | 173.1 | -73.9 | -11.4 | 0 | 0 | 0 | 113.2 | I629 T647 Q651 | I629-N649 VanDerWaalsContact CD1-CA 3.47Å; I629-N649 HydrophobicContact CD1-CB 3.81Å; I629-N649 WeakPolarHBondContact CD1-O 3.49Å; I629-N649 HydrophobicContact CG2-CB 4.33Å; I629-N649 WeakPolarHBondContact CG2-OD1 3.18Å; T647-N649 PolarHBondContact O-N 3.2Å; T647-N649 VanDerWaalsContact O-N 3.08Å; T647-N649 PolarHBondContact OG1-N 3.22Å; N649-Q651 WeakPolarHBondContact O-CG 3.44Å; N649-Q651 PolarHBondContact O-N 2.86Å; N649-Q651 VanDerWaalsContact O-N 3.09Å; N649-Q651 PolarHBondContact O-NE2 3.46Å |
| 650 | C | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 62.6 | 16.2 | 172.6 | -45.3 | 0 | 0 | 0 | 0 | 115.8 | C611 V627 V636 Q637 C638 T647 E648 | C611-C650 WeakPolarHBondContact CA-SG 3.44Å; C611-C650 HydrophobicContact CB-CB 3.75Å; C611-C650 WeakPolarHBondContact CB-SG 3.15Å; C611-C650 WeakPolarHBondContact SG-CA 3.21Å; C611-C650 WeakPolarHBondContact SG-CB 3.3Å; C611-C650 CovalentContact SG-SG 2.02Å; C611-C650 PolarHBondContact SG-SG 3.37Å; V627-C650 HydrophobicContact CG2-CB 4.07Å; V636-C650 HydrophobicContact CB-CB 4.18Å; V636-C650 HydrophobicContact CG1-CB 4.05Å; V636-C650 HydrophobicContact CG2-CB 3.8Å; Q637-C650 PolarHBondContact N-O 3.48Å; C638-C650 PolarHBondContact N-O 3.3Å; C638-C650 WeakPolarHBondContact O-CA 3.17Å; T647-C650 PolarHBondContact O-N 3.14Å; E648-C650 VanDerWaalsContact C-N 3.26Å; E648-C650 PolarHBondContact O-N 3.34Å |
| 651 | Q | 94 | Very high | 87.6 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -110.6 | 154.1 | 174.7 | -48.6 | -51 | -64.6 | 0 | 0 | 110.3 | T635 Q637 T647 N649 | T635-Q651 PolarHBondContact O-NE2 3.02Å; Q637-Q651 VanDerWaalsContact CD-OE1 3.31Å; T647-Q651 WeakPolarHBondContact CB-O 3.45Å; T647-Q651 PolarHBondContact N-O 2.71Å; T647-Q651 PolarHBondContact OG1-N 3.41Å; T647-Q651 VanDerWaalsContact OG1-N 3.17Å; T647-Q651 PolarHBondContact OG1-O 2.99Å; N649-Q651 WeakPolarHBondContact O-CG 3.44Å; N649-Q651 PolarHBondContact O-N 2.86Å; N649-Q651 VanDerWaalsContact O-N 3.09Å; N649-Q651 PolarHBondContact O-NE2 3.46Å |
| 652 | Y | 95.1 | Very high | 87.3 | Confident | 69 Ų | 69 | 57.6 Ų | 57.6 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 146.9 | 173.8 | -61.4 | -62.9 | 0 | 0 | 0 | 112.5 | Q637 C638 C645 G673 T674 M675 S676 | Q637-Y652 HydrophobicContact CB-CD2 4.16Å; Q637-Y652 HydrophobicContact CB-CE2 3.79Å; Q637-Y652 PolarHBondContact O-OH 2.87Å; Q637-Y652 VanDerWaalsContact O-OH 3.06Å; C638-Y652 HydrophobicContact CB-CD1 3.96Å; C638-Y652 HydrophobicContact CB-CE1 3.47Å; C638-Y652 VanDerWaalsContact CB-CE1 3.47Å; C645-Y652 CarbonylContact O-C 3.49Å; C645-Y652 WeakPolarHBondContact O-CA 3.21Å; Y652-G673 WeakPolarHBondContact CB-O 3.2Å; Y652-T674 WeakPolarHBondContact CE2-O 3.26Å; Y652-M675 WeakPolarHBondContact CD1-O 3.32Å; Y652-M675 VanDerWaalsContact CE1-CA 3.49Å; Y652-S676 VanDerWaalsContact CE1-N 3.26Å |
| 653 | R | 92.5 | Very high | 86.7 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 140.3 | 174.7 | -67.6 | -171.5 | -173.7 | -124.7 | -6.8 | 110.5 | V644 C645 C646 T647 H657 C671 G673 | V644-R653 WeakPolarHBondContact O-CD 3.49Å; V644-R653 PolarHBondContact O-NE 2.89Å; V644-R653 VanDerWaalsContact O-NE 3.12Å; C645-R653 PolarHBondContact O-N 3.43Å; C646-R653 PolarHBondContact O-NE 3.18Å; C646-R653 PolarHBondContact O-NH2 3Å; T647-R653 HydrophobicContact CG2-CG 3.65Å; R653-H657 HydrophobicContact CB-CB 4.14Å; R653-H657 WeakPolarHBondContact CD-CD2 3.43Å; R653-H657 WeakPolarHBondContact CD-NE2 3.39Å; R653-H657 PolarHBondContact NH1-CE1 3.2Å; R653-H657 VanDerWaalsContact NH1-CE1 3.25Å; R653-H657 PolarHBondContact NH1-NE2 3.43Å; R653-C671 HydrophobicContact CB-CB 4.15Å; R653-C671 WeakPolarHBondContact O-CB 3.37Å; R653-G673 WeakPolarHBondContact O-CA 3.33Å; R653-G673 PolarHBondContact O-N 2.85Å |
| 654 | P | 92.9 | Very high | 86.6 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 49% | 0.494 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 163 | -177 | 29.8 | -37.1 | 0 | 0 | 0 | 112.6 | T656 H657 | P654-T656 PolarHBondContact O-N 2.9Å; P654-H657 WeakPolarHBondContact O-CB 3.3Å; P654-H657 PolarHBondContact O-N 3.16Å |
| 655 | E | 91.9 | Very high | 86.6 | Confident | 141 Ų | 141 | 61.3 Ų | 61.3 | 66% | 0.659 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -8.9 | -179.5 | -60 | 178.1 | 177.3 | 0 | 0 | 114.8 | N670 C671 | E655-N670 VanDerWaalsContact O-CB 3.23Å; E655-N670 WeakPolarHBondContact O-CB 3.21Å; E655-N670 PolarHBondContact O-ND2 2.88Å; E655-C671 WeakPolarHBondContact CA-O 3.39Å |
| 656 | T | 90.7 | Very high | 86.1 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 72% | 0.724 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.3 | 172.4 | 53 | 0 | 0 | 0 | 0 | 113.7 | P654 M658 | P654-T656 PolarHBondContact O-N 2.9Å; T656-M658 PolarHBondContact O-N 3.43Å |
| 657 | H | 89.7 | Confident | 85.8 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | trans | -87.9 | 109.6 | -175.7 | -170.2 | 71 | 0 | 0 | 0 | 112.1 | R653 P654 C659 N670 C671 | R653-H657 HydrophobicContact CB-CB 4.14Å; R653-H657 WeakPolarHBondContact CD-CD2 3.43Å; R653-H657 WeakPolarHBondContact CD-NE2 3.39Å; R653-H657 PolarHBondContact NH1-CE1 3.2Å; R653-H657 VanDerWaalsContact NH1-CE1 3.25Å; R653-H657 PolarHBondContact NH1-NE2 3.43Å; P654-H657 WeakPolarHBondContact O-CB 3.3Å; P654-H657 PolarHBondContact O-N 3.16Å; H657-C659 PolarHBondContact O-N 3.49Å; H657-N670 CarbonylContact O-C 3.55Å; H657-N670 WeakPolarHBondContact O-CA 3.49Å; H657-C671 PolarHBondContact O-N 2.8Å | ||
| 658 | M | 87.1 | Confident | 85.5 | Confident | 101 Ų | 101 | 70.4 Ų | 70.4 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 113.3 | 174 | -176.2 | 178 | 67.8 | 0 | 0 | 111.1 | T656 R660 S668 S669 N670 | T656-M658 PolarHBondContact O-N 3.43Å; M658-R660 WeakPolarHBondContact CG-O 3.39Å; M658-S668 WeakPolarHBondContact SD-CB 3.44Å; M658-S669 CarbonylContact C-O 3.59Å; M658-S669 WeakPolarHBondContact CA-O 3.06Å; M658-N670 VanDerWaalsContact CA-OD1 3.27Å; M658-N670 WeakPolarHBondContact CA-OD1 3.31Å |
| 659 | C | 83.2 | Confident | 85.4 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -9.2 | -179.2 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | V644 C645 H657 S669 N670 C678 | V644-C659 HydrophobicContact CG2-CB 3.85Å; C645-C659 VanDerWaalsContact SG-CB 3.58Å; H657-C659 PolarHBondContact O-N 3.49Å; C659-S669 PolarHBondContact N-O 2.96Å; C659-N670 VanDerWaalsContact SG-C 3.53Å; C659-C678 VanDerWaalsContact C-SG 3.52Å; C659-C678 HydrophobicContact CB-CB 3.71Å; C659-C678 WeakPolarHBondContact CB-SG 3.45Å; C659-C678 VanDerWaalsContact SG-CA 3.52Å; C659-C678 WeakPolarHBondContact SG-CB 3.41Å; C659-C678 CovalentContact SG-SG 2.04Å; C659-C678 PolarHBondContact SG-SG 3.08Å |
| 660 | R | 75.3 | Confident | 85.5 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 130.4 | 167.7 | -176.3 | 175.4 | -88.6 | 155.3 | -10.1 | 109.7 | M658 S668 S669 V681 | M658-R660 WeakPolarHBondContact CG-O 3.39Å; R660-S668 CarbonylContact O-C 3.53Å; R660-S668 WeakPolarHBondContact O-CA 3.36Å; R660-S668 VanDerWaalsContact O-CB 3.29Å; R660-S668 WeakPolarHBondContact O-CB 3.42Å; R660-S669 PolarHBondContact N-O 3.2Å; R660-S669 VanDerWaalsContact N-O 3.16Å; R660-S669 PolarHBondContact O-N 3.06Å; R660-V681 HydrophobicContact CB-CG1 4.2Å; R660-V681 VanDerWaalsContact CD-CG1 3.49Å; R660-V681 HydrophobicContact CG-CG1 4.03Å |
| 661 | P | 75.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 64 Ų | 64 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | trans | -72.4 | 170.1 | 175.7 | 31.9 | -36.4 | 0 | 0 | 0 | 111.8 | H666 | P661-H666 PolarHBondContact O-CE1 3.14Š| ||
| 662 | A | 76 | Confident | 85.4 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 56% | 0.562 | 34% | 0.339 | S | S | * | . | trans | -71.8 | 153.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H666 | A662-H666 WeakPolarHBondContact CA-O 3.48Š| ||
| 663 | G | 69.3 | Low | 85.2 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -133.8 | -175.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | C665 H666 | G663-C665 PolarHBondContact O-N 3.49Å; G663-H666 PolarHBondContact N-CE1 2.87Å; G663-H666 PolarHBondContact N-O 3.39Å |
| 664 | E | 78 | Confident | 85.2 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.4 | -178.2 | -66.5 | -172.8 | -153.7 | 0 | 0 | 113.6 | C690 Q691 C697 | E664-C690 HydrophobicContact CB-CB 4.16Å; E664-C690 VanDerWaalsContact OE2-CA 3.25Å; E664-C690 WeakPolarHBondContact OE2-CA 3.47Å; E664-C690 WeakPolarHBondContact OE2-CB 3.19Å; E664-Q691 PolarHBondContact OE2-N 3.06Å; E664-C697 PolarHBondContact O-SG 3.21Å |
| 665 | C | 82.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 5.8 | -170.5 | -62.8 | 0 | 0 | 0 | 0 | 115.5 | G663 L684 C697 G700 Q701 | G663-C665 PolarHBondContact O-N 3.49Å; C665-L684 WeakPolarHBondContact O-CB 3.46Å; C665-L684 PolarHBondContact O-N 2.91Å; C665-C697 WeakPolarHBondContact CA-SG 3.42Å; C665-C697 HydrophobicContact CB-CB 3.5Å; C665-C697 VanDerWaalsContact CB-CB 3.5Å; C665-C697 WeakPolarHBondContact CB-SG 3.14Å; C665-C697 WeakPolarHBondContact SG-CA 3.36Å; C665-C697 WeakPolarHBondContact SG-CB 3.24Å; C665-C697 CovalentContact SG-SG 2.03Å; C665-C697 PolarHBondContact SG-SG 3.21Å; C665-G700 CarbonylContact C-O 3.5Å; C665-G700 VanDerWaalsContact CB-C 3.45Å; C665-G700 WeakPolarHBondContact CB-O 3.3Å; C665-G700 CarbonylContact O-C 3.54Å; C665-G700 WeakPolarHBondContact O-CA 3.33Å; C665-G700 VanDerWaalsContact O-O 3.12Å; C665-Q701 VanDerWaalsContact SG-C 3.58Å |
| 666 | H | 81.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 15% | 0.148 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -147.3 | 152.6 | 175.3 | 63.2 | 79.8 | 0 | 0 | 0 | 111.3 | P661 A662 G663 V681 G700 | P661-H666 PolarHBondContact O-CE1 3.14Å; A662-H666 WeakPolarHBondContact CA-O 3.48Å; G663-H666 PolarHBondContact N-CE1 2.87Å; G663-H666 PolarHBondContact N-O 3.39Å; H666-V681 HydrophobicContact CB-CB 4.18Å; H666-V681 HydrophobicContact CB-CG2 3.9Å; H666-G700 PolarHBondContact CD2-O 3.32Å |
| 667 | R | 85.8 | Confident | 84.5 | Confident | 142 Ų | 142 | 57.3 Ų | 57.3 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | trans | -74.9 | 177.7 | 170.7 | -58.4 | -178 | 179.1 | -91.3 | -2.4 | 110.3 | V681 D682 L684 | R667-V681 WeakPolarHBondContact O-CG1 3.45Å; R667-D682 HydrophobicContact CB-CB 4.08Å; R667-D682 WeakPolarHBondContact CB-O 3.37Å; R667-D682 HydrophobicContact CG-CB 4.25Å; R667-D682 PolarHBondContact N-O 2.91Å; R667-L684 HydrophobicContact CG-CD2 3.8Å | ||
| 668 | S | 85 | Confident | 84.2 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | -69.3 | 160.9 | 165.7 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | M658 R660 | M658-S668 WeakPolarHBondContact SD-CB 3.44Å; R660-S668 CarbonylContact O-C 3.53Å; R660-S668 WeakPolarHBondContact O-CA 3.36Å; R660-S668 VanDerWaalsContact O-CB 3.29Å; R660-S668 WeakPolarHBondContact O-CB 3.42Å | ||
| 669 | S | 86.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.5 | 170.6 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | M658 C659 R660 P679 | M658-S669 CarbonylContact C-O 3.59Å; M658-S669 WeakPolarHBondContact CA-O 3.06Å; C659-S669 PolarHBondContact N-O 2.96Å; R660-S669 PolarHBondContact N-O 3.2Å; R660-S669 VanDerWaalsContact N-O 3.16Å; R660-S669 PolarHBondContact O-N 3.06Å; S669-P679 PolarHBondContact OG-O 3.15Å |
| 670 | N | 91.3 | Very high | 83.7 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 158.8 | 175.9 | -68.4 | 10.8 | 0 | 0 | 0 | 110.9 | E655 H657 M658 C659 P679 | E655-N670 VanDerWaalsContact O-CB 3.23Å; E655-N670 WeakPolarHBondContact O-CB 3.21Å; E655-N670 PolarHBondContact O-ND2 2.88Å; H657-N670 CarbonylContact O-C 3.55Å; H657-N670 WeakPolarHBondContact O-CA 3.49Å; M658-N670 VanDerWaalsContact CA-OD1 3.27Å; M658-N670 WeakPolarHBondContact CA-OD1 3.31Å; C659-N670 VanDerWaalsContact SG-C 3.53Å; N670-P679 VanDerWaalsContact O-CD 3.22Å; N670-P679 WeakPolarHBondContact O-CD 3.32Å; N670-P679 VanDerWaalsContact O-CG 3.26Å; N670-P679 WeakPolarHBondContact O-CG 3.45Å |
| 671 | C | 92.1 | Very high | 83.9 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | trans | -60.4 | 159.3 | 176.1 | -64.1 | 0 | 0 | 0 | 0 | 113.8 | C645 R653 E655 H657 | C645-C671 WeakPolarHBondContact CA-SG 3.29Å; C645-C671 HydrophobicContact CB-CB 3.64Å; C645-C671 WeakPolarHBondContact CB-SG 3.4Å; C645-C671 WeakPolarHBondContact SG-CA 3.21Å; C645-C671 WeakPolarHBondContact SG-CB 3.44Å; C645-C671 CovalentContact SG-SG 2.03Å; C645-C671 PolarHBondContact SG-SG 3.45Å; R653-C671 HydrophobicContact CB-CB 4.15Å; R653-C671 WeakPolarHBondContact O-CB 3.37Å; E655-C671 WeakPolarHBondContact CA-O 3.39Å; H657-C671 PolarHBondContact O-N 2.8Å | ||
| 672 | S | 91.4 | Very high | 84.3 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | trans | -95 | 7.4 | -179.5 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | T674 M675 | S672-T674 PolarHBondContact O-N 3.33Å; S672-T674 PolarHBondContact O-OG1 3.48Å; S672-T674 PolarHBondContact OG-N 2.92Å; S672-T674 PolarHBondContact OG-OG1 1.81Å; S672-M675 PolarHBondContact OG-N 3.11Å | ||
| 673 | G | 92.4 | Very high | 84.7 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 63.9 | -2.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y652 R653 | Y652-G673 WeakPolarHBondContact CB-O 3.2Å; R653-G673 WeakPolarHBondContact O-CA 3.33Å; R653-G673 PolarHBondContact O-N 2.85Å |
| 674 | T | 92.5 | Very high | 85.5 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 57% | 0.571 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -143 | -6.8 | -161.3 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | Y652 S672 | Y652-T674 WeakPolarHBondContact CE2-O 3.26Å; S672-T674 PolarHBondContact O-N 3.33Å; S672-T674 PolarHBondContact O-OG1 3.48Å; S672-T674 PolarHBondContact OG-N 2.92Å; S672-T674 PolarHBondContact OG-OG1 1.81Å |
| 675 | M | 90 | Very high | 86 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | trans | -138.2 | 146.3 | -179.2 | -63.5 | -179.6 | 66.4 | 0 | 0 | 110.1 | C645 Y652 S672 K677 | C645-M675 WeakPolarHBondContact CB-O 3.35Å; Y652-M675 WeakPolarHBondContact CD1-O 3.32Å; Y652-M675 VanDerWaalsContact CE1-CA 3.49Å; S672-M675 PolarHBondContact OG-N 3.11Å; M675-K677 VanDerWaalsContact C-N 3.35Å | ||
| 676 | S | 86.8 | Confident | 86 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -72.6 | -30.8 | 175 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | A642 G643 V644 C645 Y652 | A642-S676 PolarHBondContact O-OG 3.23Å; G643-S676 CarbonylContact C-O 3.5Å; G643-S676 WeakPolarHBondContact CA-O 3.45Å; V644-S676 PolarHBondContact N-O 3Å; C645-S676 WeakPolarHBondContact CA-O 3.48Å; C645-S676 VanDerWaalsContact CB-O 3.23Å; C645-S676 WeakPolarHBondContact CB-O 3.18Å; C645-S676 PolarHBondContact N-O 3.06Å; Y652-S676 VanDerWaalsContact CE1-N 3.26Å |
| 677 | K | 83.7 | Confident | 86.1 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -82.7 | 137.1 | -177.1 | -60.9 | -177.9 | -178.6 | -174.9 | 0 | 110.4 | M675 | M675-K677 VanDerWaalsContact C-N 3.35Š|
| 678 | C | 82.2 | Confident | 86.2 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 129.3 | 176.8 | -174 | 0 | 0 | 0 | 0 | 110.3 | V644 C659 | V644-C678 HydrophobicContact CG2-CB 3.68Å; C659-C678 VanDerWaalsContact C-SG 3.52Å; C659-C678 HydrophobicContact CB-CB 3.71Å; C659-C678 WeakPolarHBondContact CB-SG 3.45Å; C659-C678 VanDerWaalsContact SG-CA 3.52Å; C659-C678 WeakPolarHBondContact SG-CB 3.41Å; C659-C678 CovalentContact SG-SG 2.04Å; C659-C678 PolarHBondContact SG-SG 3.08Å |
| 679 | P | 85.3 | Confident | 86.2 | Confident | 34 Ų | 34 | 59 Ų | 59 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 150.7 | 173.5 | -29.1 | 38.2 | 0 | 0 | 0 | 113.1 | S669 N670 | S669-P679 PolarHBondContact OG-O 3.15Å; N670-P679 VanDerWaalsContact O-CD 3.22Å; N670-P679 WeakPolarHBondContact O-CD 3.32Å; N670-P679 VanDerWaalsContact O-CG 3.26Å; N670-P679 WeakPolarHBondContact O-CG 3.45Å |
| 680 | P | 75.8 | Confident | 85.8 | Confident | 119 Ų | 119 | 58.7 Ų | 58.7 | 77% | 0.773 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 147 | 172 | -26.4 | 35.3 | 0 | 0 | 0 | 112.5 | ||
| 681 | V | 79.7 | Confident | 84.6 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 144.8 | 179.6 | -84 | 0 | 0 | 0 | 0 | 112.3 | R660 H666 R667 I683 | R660-V681 HydrophobicContact CB-CG1 4.2Å; R660-V681 VanDerWaalsContact CD-CG1 3.49Å; R660-V681 HydrophobicContact CG-CG1 4.03Å; H666-V681 HydrophobicContact CB-CB 4.18Å; H666-V681 HydrophobicContact CB-CG2 3.9Å; R667-V681 WeakPolarHBondContact O-CG1 3.45Å; V681-I683 PolarHBondContact O-N 3.11Å |
| 682 | D | 82.8 | Confident | 83.5 | Confident | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | trans | -64.3 | 114.9 | 163.4 | -80.6 | -18.9 | 0 | 0 | 0 | 109.8 | R667 | R667-D682 HydrophobicContact CB-CB 4.08Å; R667-D682 WeakPolarHBondContact CB-O 3.37Å; R667-D682 HydrophobicContact CG-CB 4.25Å; R667-D682 PolarHBondContact N-O 2.91Å | ||
| 683 | I | 84.3 | Confident | 82.5 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 46% | 0.456 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 138.3 | -179.1 | -71.4 | 169.3 | 0 | 0 | 0 | 110.1 | V681 G700 | V681-I683 PolarHBondContact O-N 3.11Å; I683-G700 VanDerWaalsContact CG2-N 3.3Å |
| 684 | L | 86.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -75 | 149.5 | 168.4 | -68.6 | 177.5 | 0 | 0 | 0 | 109.9 | C665 R667 D686 | C665-L684 WeakPolarHBondContact O-CB 3.46Å; C665-L684 PolarHBondContact O-N 2.91Å; R667-L684 HydrophobicContact CG-CD2 3.8Å; L684-D686 PolarHBondContact O-N 2.97Å |
| 685 | P | 88.3 | Confident | 80.6 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 132.5 | -175.8 | -27.5 | 35.6 | 0 | 0 | 0 | 113.6 | G687 T688 | P685-G687 PolarHBondContact O-N 3.12Å; P685-T688 WeakPolarHBondContact O-CB 3.2Å; P685-T688 PolarHBondContact O-N 3.41Å; P685-T688 PolarHBondContact O-OG1 2.91Å |
| 686 | D | 82 | Confident | 80.3 | Confident | 93 Ų | 93 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135.5 | 172.8 | -71.1 | 10.2 | 0 | 0 | 0 | 110.2 | L684 C697 K698 Q699 | L684-D686 PolarHBondContact O-N 2.97Å; D686-C697 CarbonylContact C-O 3.46Å; D686-C697 VanDerWaalsContact CA-O 3.3Å; D686-C697 WeakPolarHBondContact CA-O 3.49Å; D686-K698 VanDerWaalsContact OD1-CA 3.32Å; D686-K698 WeakPolarHBondContact OD1-CA 3.16Å; D686-Q699 PolarHBondContact OD1-N 2.9Å |
| 687 | G | 84 | Confident | 79.9 | Confident | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -6.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P685 C697 | P685-G687 PolarHBondContact O-N 3.12Å; G687-C697 PolarHBondContact N-O 2.79Å |
| 688 | T | 87.7 | Confident | 79.3 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | trans | -59.3 | 134.8 | 168.9 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | P685 V696 C697 | P685-T688 WeakPolarHBondContact O-CB 3.2Å; P685-T688 PolarHBondContact O-N 3.41Å; P685-T688 PolarHBondContact O-OG1 2.91Å; T688-V696 CarbonylContact O-C 3.53Å; T688-V696 WeakPolarHBondContact O-CA 3.4Å; T688-V696 WeakPolarHBondContact O-CB 3.27Å; T688-C697 PolarHBondContact O-N 3.27Å; T688-C697 PolarHBondContact O-SG 3.03Å | ||
| 689 | L | 85.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 40% | 0.403 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 139.5 | -178.3 | -78.9 | 165.8 | 0 | 0 | 0 | 112.1 | V696 I706 R709 | L689-V696 HydrophobicContact CD2-CG1 4.33Å; L689-I706 HydrophobicContact CD2-CD1 3.75Å; L689-R709 VanDerWaalsContact CD2-CD 3.49Å |
| 690 | C | 77.8 | Confident | 78.1 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 172.1 | 178.7 | 63 | 0 | 0 | 0 | 0 | 111.7 | E664 G693 T694 R695 V696 C702 | E664-C690 HydrophobicContact CB-CB 4.16Å; E664-C690 VanDerWaalsContact OE2-CA 3.25Å; E664-C690 WeakPolarHBondContact OE2-CA 3.47Å; E664-C690 WeakPolarHBondContact OE2-CB 3.19Å; C690-G693 WeakPolarHBondContact O-CA 3.31Å; C690-G693 PolarHBondContact O-N 3.42Å; C690-G693 VanDerWaalsContact O-N 3.11Å; C690-T694 PolarHBondContact O-N 3.37Å; C690-R695 PolarHBondContact N-O 3.26Å; C690-R695 PolarHBondContact O-N 2.9Å; C690-R695 VanDerWaalsContact O-O 3.12Å; C690-V696 WeakPolarHBondContact SG-CA 3.39Å; C690-V696 PolarHBondContact SG-N 2.79Å; C690-C702 HydrophobicContact CB-CB 3.82Å; C690-C702 WeakPolarHBondContact CB-SG 3.34Å; C690-C702 WeakPolarHBondContact SG-CA 3.14Å; C690-C702 WeakPolarHBondContact SG-CB 3.39Å; C690-C702 CovalentContact SG-SG 2.03Å; C690-C702 PolarHBondContact SG-SG 3.09Å |
| 691 | Q | 66.3 | Low | 77.3 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 63.1 | -175.8 | -166.7 | 70.1 | 2.8 | 0 | 0 | 112.2 | Y148 D175 E664 G693 T694 R695 | Y148-Q691 WeakPolarHBondContact OH-CB 3.16Å; Y148-Q691 PolarHBondContact OH-OE1 3.31Å; D175-Q691 PolarHBondContact OD1-NE2 3.48Å; E664-Q691 PolarHBondContact OE2-N 3.06Å; Q691-G693 PolarHBondContact O-N 2.81Å; Q691-T694 WeakPolarHBondContact CB-OG1 3.36Å; Q691-T694 WeakPolarHBondContact CG-OG1 3.37Å; Q691-T694 WeakPolarHBondContact O-CB 3.49Å; Q691-T694 WeakPolarHBondContact O-CG2 3.39Å; Q691-T694 PolarHBondContact O-N 3.15Å; Q691-T694 PolarHBondContact O-OG1 3.09Å; Q691-R695 HydrophobicContact CB-CB 4.34Å |
| 692 | D | 68.3 | Low | 76.7 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.8 | -178.6 | -53.5 | -45.7 | 0 | 0 | 0 | 112.9 | R34 R768 | R34-D692 IonicContact CZ-OD2 2.79Å; R34-D692 IonicContact NH2-OD1 3.65Å; R34-D692 PolarHBondContact NH2-OD1 3.3Å; R34-D692 IonicContact NH2-OD2 3.07Å; R34-D692 PolarHBondContact NH2-OD2 3.1Å; D692-R768 PolarHBondContact O-NH1 3.09Å; D692-R768 PolarHBondContact O-NH2 3.48Å |
| 693 | G | 71 | Confident | 75.7 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 21 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | C690 Q691 R768 | C690-G693 WeakPolarHBondContact O-CA 3.31Å; C690-G693 PolarHBondContact O-N 3.42Å; C690-G693 VanDerWaalsContact O-N 3.11Å; Q691-G693 PolarHBondContact O-N 2.81Å; G693-R768 PolarHBondContact O-NH2 3Å |
| 694 | T | 68.6 | Low | 75 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15.4 | 178 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | C690 Q691 | C690-T694 PolarHBondContact O-N 3.37Å; Q691-T694 WeakPolarHBondContact CB-OG1 3.36Å; Q691-T694 WeakPolarHBondContact CG-OG1 3.37Å; Q691-T694 WeakPolarHBondContact O-CB 3.49Å; Q691-T694 WeakPolarHBondContact O-CG2 3.39Å; Q691-T694 PolarHBondContact O-N 3.15Å; Q691-T694 PolarHBondContact O-OG1 3.09Å |
| 695 | R | 75.1 | Confident | 74.6 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 172.7 | -173.8 | -76.7 | 173 | 165.5 | -170.7 | -8.8 | 109.4 | D549 C690 Q691 C702 G704 | D549-R695 IonicContact OD2-CZ 3.59Å; D549-R695 IonicContact OD2-NH1 2.63Å; D549-R695 IonicContact OD2-NH2 3.96Å; D549-R695 PolarHBondContact OD2-NH2 2.98Å; C690-R695 PolarHBondContact N-O 3.26Å; C690-R695 PolarHBondContact O-N 2.9Å; C690-R695 VanDerWaalsContact O-O 3.12Å; Q691-R695 HydrophobicContact CB-CB 4.34Å; R695-C702 WeakPolarHBondContact CB-SG 3.5Å; R695-G704 WeakPolarHBondContact CA-O 3.21Å; R695-G704 VanDerWaalsContact CB-O 3.27Å; R695-G704 WeakPolarHBondContact CB-O 3.46Å |
| 696 | V | 83.5 | Confident | 74.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.9 | 171.7 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | T688 L689 C690 C702 G704 S705 E708 R709 | T688-V696 CarbonylContact O-C 3.53Å; T688-V696 WeakPolarHBondContact O-CA 3.4Å; T688-V696 WeakPolarHBondContact O-CB 3.27Å; L689-V696 HydrophobicContact CD2-CG1 4.33Å; C690-V696 WeakPolarHBondContact SG-CA 3.39Å; C690-V696 PolarHBondContact SG-N 2.79Å; V696-C702 CarbonylContact O-C 3.55Å; V696-G704 PolarHBondContact N-O 3.49Å; V696-G704 VanDerWaalsContact O-CA 3.25Å; V696-G704 WeakPolarHBondContact O-CA 3.28Å; V696-G704 PolarHBondContact O-N 2.73Å; V696-S705 WeakPolarHBondContact CG2-O 3.12Å; V696-E708 HydrophobicContact CG2-CB 4.04Å; V696-R709 HydrophobicContact CG1-CB 3.8Å; V696-R709 HydrophobicContact CG1-CG 4.25Å |
| 697 | C | 78.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 139.7 | 169.5 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | E664 C665 D686 G687 T688 Q701 | E664-C697 PolarHBondContact O-SG 3.21Å; C665-C697 WeakPolarHBondContact CA-SG 3.42Å; C665-C697 HydrophobicContact CB-CB 3.5Å; C665-C697 VanDerWaalsContact CB-CB 3.5Å; C665-C697 WeakPolarHBondContact CB-SG 3.14Å; C665-C697 WeakPolarHBondContact SG-CA 3.36Å; C665-C697 WeakPolarHBondContact SG-CB 3.24Å; C665-C697 CovalentContact SG-SG 2.03Å; C665-C697 PolarHBondContact SG-SG 3.21Å; D686-C697 CarbonylContact C-O 3.46Å; D686-C697 VanDerWaalsContact CA-O 3.3Å; D686-C697 WeakPolarHBondContact CA-O 3.49Å; G687-C697 PolarHBondContact N-O 2.79Å; T688-C697 PolarHBondContact O-N 3.27Å; T688-C697 PolarHBondContact O-SG 3.03Å; C697-Q701 WeakPolarHBondContact CA-O 3Å |
| 698 | K | 71 | Confident | 74.9 | Confident | 48 Ų | 48 | 33.1 Ų | 33.1 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 124.8 | 172.6 | 175.7 | 179.8 | -179.5 | 179.8 | 0 | 109 | S145 D686 G700 Q701 I703 E708 | S145-K698 PolarHBondContact OG-O 3.18Å; D686-K698 VanDerWaalsContact OD1-CA 3.32Å; D686-K698 WeakPolarHBondContact OD1-CA 3.16Å; K698-G700 VanDerWaalsContact C-N 3.26Å; K698-G700 PolarHBondContact O-N 2.04Å; K698-Q701 PolarHBondContact N-O 2.87Å; K698-I703 HydrophobicContact CB-CD1 4.08Å; K698-I703 HydrophobicContact CB-CG1 3.61Å; K698-I703 HydrophobicContact CD-CD1 3.94Å; K698-I703 HydrophobicContact CD-CG1 4Å; K698-I703 HydrophobicContact CG-CD1 3.9Å; K698-I703 HydrophobicContact CG-CG1 3.98Å; K698-E708 IonicContact NZ-OE1 3.61Å; K698-E708 PolarHBondContact NZ-OE1 2.9Å; K698-E708 IonicContact NZ-OE2 3.69Å |
| 699 | Q | 72.5 | Confident | 74.8 | Confident | 128 Ų | 128 | 35.1 Ų | 35.1 | 60% | 0.598 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37.7 | -174.7 | -60.5 | -176.5 | -23.7 | 0 | 0 | 114.5 | D686 Q701 | D686-Q699 PolarHBondContact OD1-N 2.9Å; Q699-Q701 PolarHBondContact O-OE1 3.49Å |
| 700 | G | 69.5 | Low | 74.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -16.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C665 H666 I683 K698 | C665-G700 CarbonylContact C-O 3.5Å; C665-G700 VanDerWaalsContact CB-C 3.45Å; C665-G700 WeakPolarHBondContact CB-O 3.3Å; C665-G700 CarbonylContact O-C 3.54Å; C665-G700 WeakPolarHBondContact O-CA 3.33Å; C665-G700 VanDerWaalsContact O-O 3.12Å; H666-G700 PolarHBondContact CD2-O 3.32Å; I683-G700 VanDerWaalsContact CG2-N 3.3Å; K698-G700 VanDerWaalsContact C-N 3.26Å; K698-G700 PolarHBondContact O-N 2.04Å |
| 701 | Q | 59.7 | Low | 75.3 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 172.2 | 178.5 | -55.4 | 94.2 | -82.4 | 0 | 0 | 112.8 | A144 S145 K146 C665 C697 K698 Q699 I703 | A144-Q701 PolarHBondContact O-NE2 2.87Å; S145-Q701 VanDerWaalsContact C-NE2 3.29Å; S145-Q701 PolarHBondContact O-NE2 3.16Å; S145-Q701 WeakPolarHBondContact OG-CB 3.25Å; S145-Q701 PolarHBondContact OG-N 3.08Å; S145-Q701 PolarHBondContact OG-O 3.31Å; K146-Q701 VanDerWaalsContact C-CB 3.43Å; K146-Q701 WeakPolarHBondContact O-CB 3.35Å; C665-Q701 VanDerWaalsContact SG-C 3.58Å; C697-Q701 WeakPolarHBondContact CA-O 3Å; K698-Q701 PolarHBondContact N-O 2.87Å; Q699-Q701 PolarHBondContact O-OE1 3.49Å; Q701-I703 PolarHBondContact O-N 3.3Å |
| 702 | C | 66.5 | Low | 76.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 46.8 | -169.5 | -168.1 | 0 | 0 | 0 | 0 | 113.1 | K146 Y148 C690 R695 V696 | K146-C702 PolarHBondContact NZ-O 2.99Å; Y148-C702 HydrophobicContact CE2-CB 3.81Å; Y148-C702 PolarHBondContact OH-SG 3.36Å; C690-C702 HydrophobicContact CB-CB 3.82Å; C690-C702 WeakPolarHBondContact CB-SG 3.34Å; C690-C702 WeakPolarHBondContact SG-CA 3.14Å; C690-C702 WeakPolarHBondContact SG-CB 3.39Å; C690-C702 CovalentContact SG-SG 2.03Å; C690-C702 PolarHBondContact SG-SG 3.09Å; R695-C702 WeakPolarHBondContact CB-SG 3.5Å; V696-C702 CarbonylContact O-C 3.55Å |
| 703 | I | 62.9 | Low | 77.1 | Confident | 37 Ų | 37 | 34.6 Ų | 34.6 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -36.5 | 177.1 | 55.5 | -176.6 | 0 | 0 | 0 | 113.3 | S145 K146 K698 Q701 | S145-I703 WeakPolarHBondContact OG-CG2 3.36Å; K146-I703 HydrophobicContact CB-CB 4.49Å; K146-I703 HydrophobicContact CB-CG2 3.61Å; K146-I703 HydrophobicContact CG-CG2 3.86Å; K146-I703 VanDerWaalsContact NZ-C 3.28Å; K146-I703 VanDerWaalsContact NZ-CA 3.29Å; K146-I703 PolarHBondContact NZ-O 2.88Å; K698-I703 HydrophobicContact CB-CD1 4.08Å; K698-I703 HydrophobicContact CB-CG1 3.61Å; K698-I703 HydrophobicContact CD-CD1 3.94Å; K698-I703 HydrophobicContact CD-CG1 4Å; K698-I703 HydrophobicContact CG-CD1 3.9Å; K698-I703 HydrophobicContact CG-CG1 3.98Å; Q701-I703 PolarHBondContact O-N 3.3Å |
| 704 | G | 68.5 | Low | 77.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 151.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R695 V696 E708 | R695-G704 WeakPolarHBondContact CA-O 3.21Å; R695-G704 VanDerWaalsContact CB-O 3.27Å; R695-G704 WeakPolarHBondContact CB-O 3.46Å; V696-G704 PolarHBondContact N-O 3.49Å; V696-G704 VanDerWaalsContact O-CA 3.25Å; V696-G704 WeakPolarHBondContact O-CA 3.28Å; V696-G704 PolarHBondContact O-N 2.73Å; G704-E708 WeakPolarHBondContact CA-OE2 3.37Å |
| 705 | S | 78.8 | Confident | 78.3 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 155.4 | 174.8 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | V696 C707 E708 E715 | V696-S705 WeakPolarHBondContact CG2-O 3.12Å; S705-C707 PolarHBondContact O-N 3.24Å; S705-C707 VanDerWaalsContact O-N 3.1Å; S705-C707 PolarHBondContact OG-N 2.03Å; S705-C707 PolarHBondContact OG-SG 3.05Å; S705-E708 PolarHBondContact N-OE2 3.28Å; S705-E708 PolarHBondContact O-N 3.44Å; S705-E715 WeakPolarHBondContact CB-OE2 3.47Å; S705-E715 PolarHBondContact OG-OE2 3.14Å |
| 706 | I | 85.2 | Confident | 78.6 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -55.3 | -27.2 | 167.7 | -168.7 | 59.9 | 0 | 0 | 0 | 111.8 | L689 E708 R709 V732 E765 I766 I773 | L689-I706 HydrophobicContact CD2-CD1 3.75Å; I706-E708 PolarHBondContact O-N 3.16Å; I706-R709 WeakPolarHBondContact O-CB 3.39Å; I706-R709 PolarHBondContact O-N 3.1Å; I706-V732 HydrophobicContact CG2-CG1 4.12Å; I706-E765 VanDerWaalsContact CG1-O 3.31Å; I706-E765 WeakPolarHBondContact CG1-O 3.5Å; I706-I766 HydrophobicContact CG1-CG2 4.33Å; I706-I766 HydrophobicContact CG2-CG2 3.99Å; I706-I773 HydrophobicContact CG2-CD1 4.18Å |
| 707 | C | 88.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.9 | -42.7 | 171 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | S705 R709 I710 W713 H714 G733 C734 | S705-C707 PolarHBondContact O-N 3.24Å; S705-C707 VanDerWaalsContact O-N 3.1Å; S705-C707 PolarHBondContact OG-N 2.03Å; S705-C707 PolarHBondContact OG-SG 3.05Å; C707-R709 PolarHBondContact O-N 2.89Å; C707-R709 VanDerWaalsContact O-N 3.16Å; C707-I710 PolarHBondContact O-N 2.94Å; C707-W713 VanDerWaalsContact O-CB 3.27Å; C707-W713 WeakPolarHBondContact O-CB 3.36Å; C707-H714 VanDerWaalsContact CB-C 3.44Å; C707-H714 WeakPolarHBondContact CB-O 3.13Å; C707-G733 PolarHBondContact SG-O 2.89Å; C707-G733 VanDerWaalsContact SG-O 3.36Å; C707-C734 VanDerWaalsContact CA-SG 3.56Å; C707-C734 HydrophobicContact CB-CB 3.62Å; C707-C734 WeakPolarHBondContact CB-SG 3.31Å; C707-C734 WeakPolarHBondContact SG-CA 3.46Å; C707-C734 WeakPolarHBondContact SG-CB 3.34Å; C707-C734 CovalentContact SG-SG 2.03Å; C707-C734 PolarHBondContact SG-SG 2.95Å |
| 708 | E | 86.2 | Confident | 78.2 | Confident | 37 Ų | 37 | 35.3 Ų | 35.3 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.6 | -9.4 | -173.9 | -63.3 | -171.2 | 119.1 | 0 | 0 | 113.2 | V696 K698 G704 S705 I706 I710 | V696-E708 HydrophobicContact CG2-CB 4.04Å; K698-E708 IonicContact NZ-OE1 3.61Å; K698-E708 PolarHBondContact NZ-OE1 2.9Å; K698-E708 IonicContact NZ-OE2 3.69Å; G704-E708 WeakPolarHBondContact CA-OE2 3.37Å; S705-E708 PolarHBondContact N-OE2 3.28Å; S705-E708 PolarHBondContact O-N 3.44Å; I706-E708 PolarHBondContact O-N 3.16Å; E708-I710 PolarHBondContact O-N 3.4Å |
| 709 | R | 86.7 | Confident | 78.3 | Confident | 94 Ų | 94 | 36.4 Ų | 36.4 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -60.6 | -27.2 | 170.6 | -168.5 | 155.8 | 150.8 | 61.9 | 21.9 | 113 | L689 V696 I706 C707 E765 | L689-R709 VanDerWaalsContact CD2-CD 3.49Å; V696-R709 HydrophobicContact CG1-CB 3.8Å; V696-R709 HydrophobicContact CG1-CG 4.25Å; I706-R709 WeakPolarHBondContact O-CB 3.39Å; I706-R709 PolarHBondContact O-N 3.1Å; C707-R709 PolarHBondContact O-N 2.89Å; C707-R709 VanDerWaalsContact O-N 3.16Å; R709-E765 WeakPolarHBondContact CD-OE2 3.32Å; R709-E765 IonicContact CZ-OE1 3.6Å; R709-E765 VanDerWaalsContact CZ-OE1 3.31Å; R709-E765 IonicContact CZ-OE2 3.74Å; R709-E765 IonicContact NE-OE1 2.75Å; R709-E765 PolarHBondContact NE-OE1 3.1Å; R709-E765 IonicContact NE-OE2 2.79Å; R709-E765 PolarHBondContact NE-OE2 3.01Å; R709-E765 IonicContact NH2-OE1 3.34Å; R709-E765 PolarHBondContact NH2-OE1 3.41Å; R709-E765 IonicContact NH2-OE2 2.74Å |
| 710 | I | 88.2 | Confident | 78.2 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -96.5 | 120.4 | 175.5 | -48.6 | 179.2 | 0 | 0 | 0 | 107.9 | C707 E708 G712 W713 Q761 L762 E765 | C707-I710 PolarHBondContact O-N 2.94Å; E708-I710 PolarHBondContact O-N 3.4Å; I710-G712 PolarHBondContact O-N 2.9Å; I710-G712 VanDerWaalsContact O-N 3.16Å; I710-W713 HydrophobicContact CB-CB 4.37Å; I710-W713 HydrophobicContact CB-CG 4.08Å; I710-W713 HydrophobicContact CG2-CG 4.33Å; I710-W713 WeakPolarHBondContact O-CB 3.35Å; I710-W713 PolarHBondContact O-N 2.73Å; I710-Q761 HydrophobicContact CD1-CB 4.3Å; I710-L762 HydrophobicContact CD1-CB 4.23Å; I710-L762 HydrophobicContact CD1-CD1 3.98Å; I710-E765 HydrophobicContact CD1-CB 4.28Å; I710-E765 HydrophobicContact CD1-CG 4.1Å; I710-E765 HydrophobicContact CG1-CB 4.5Å; I710-E765 HydrophobicContact CG1-CG 4.06Å |
| 711 | S | 84.6 | Confident | 78.2 | Confident | 117 Ų | 117 | 40.1 Ų | 40.1 | 82% | 0.818 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 121.4 | -176.3 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 712 | G | 84 | Confident | 78.4 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 19.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | I710 Q736 N737 | I710-G712 PolarHBondContact O-N 2.9Å; I710-G712 VanDerWaalsContact O-N 3.16Å; G712-Q736 CarbonylContact O-C 3.49Å; G712-Q736 WeakPolarHBondContact O-CA 3.37Å; G712-N737 PolarHBondContact O-N 2.91Å |
| 713 | W | 89.3 | Confident | 78.5 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 159 | 167.6 | -67.6 | 78.1 | 0 | 0 | 0 | 111.7 | C707 I710 C734 K735 Q736 I744 Y759 L762 | C707-W713 VanDerWaalsContact O-CB 3.27Å; C707-W713 WeakPolarHBondContact O-CB 3.36Å; I710-W713 HydrophobicContact CB-CB 4.37Å; I710-W713 HydrophobicContact CB-CG 4.08Å; I710-W713 HydrophobicContact CG2-CG 4.33Å; I710-W713 WeakPolarHBondContact O-CB 3.35Å; I710-W713 PolarHBondContact O-N 2.73Å; W713-C734 HydrophobicContact CE3-CB 4.04Å; W713-C734 HydrophobicContact CZ3-CB 4.41Å; W713-K735 CarbonylContact C-O 3.58Å; W713-K735 VanDerWaalsContact CA-O 3.25Å; W713-K735 WeakPolarHBondContact CA-O 3.39Å; W713-K735 VanDerWaalsContact CE3-C 3.4Å; W713-Q736 HydrophobicContact CD2-CG 3.6Å; W713-Q736 VanDerWaalsContact CE2-CG 3.45Å; W713-Q736 HydrophobicContact CE3-CG 3.76Å; W713-Q736 HydrophobicContact CG-CG 4.32Å; W713-Q736 HydrophobicContact CH2-CG 3.69Å; W713-Q736 HydrophobicContact CZ2-CG 3.56Å; W713-Q736 HydrophobicContact CZ3-CG 3.77Å; W713-I744 HydrophobicContact CH2-CD1 3.92Å; W713-I744 HydrophobicContact CZ3-CD1 3.99Å; W713-Y759 AromaticContact CH2-CD1 3.69Å; W713-Y759 HydrophobicContact CH2-CD1 3.69Å; W713-Y759 HydrophobicContact CH2-CE1 4.06Å; W713-Y759 HydrophobicContact CH2-CG 4.33Å; W713-Y759 AromaticContact CZ2-CD1 3.98Å; W713-Y759 HydrophobicContact CZ2-CD1 3.98Å; W713-Y759 HydrophobicContact CZ2-CE1 4.49Å; W713-L762 HydrophobicContact CD2-CD1 4.36Å; W713-L762 HydrophobicContact CE3-CD1 4.11Å; W713-L762 HydrophobicContact CE3-CD2 4.3Å; W713-L762 HydrophobicContact CH2-CB 4.33Å; W713-L762 HydrophobicContact CH2-CD1 4.49Å; W713-L762 HydrophobicContact CH2-CD2 3.67Å; W713-L762 HydrophobicContact CH2-CG 4.39Å; W713-L762 HydrophobicContact CZ2-CB 4.36Å; W713-L762 HydrophobicContact CZ2-CD2 4.46Å; W713-L762 HydrophobicContact CZ3-CD1 4.21Å; W713-L762 HydrophobicContact CZ3-CD2 3.59Å; W713-L762 HydrophobicContact CZ3-CG 4.42Å |
| 714 | H | 84.1 | Confident | 79 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 163.5 | 176.4 | 55 | -78.7 | 0 | 0 | 0 | 111.1 | D533 C707 C734 K735 Q736 | D533-H714 IonicContact OD1-CD2 2.73Å; D533-H714 IonicContact OD1-NE2 3.63Å; C707-H714 VanDerWaalsContact CB-C 3.44Å; C707-H714 WeakPolarHBondContact CB-O 3.13Å; H714-C734 CarbonylContact O-C 3.5Å; H714-C734 WeakPolarHBondContact O-CA 3.4Å; H714-K735 PolarHBondContact CE1-O 2.97Å; H714-K735 PolarHBondContact N-O 2.82Å; H714-K735 PolarHBondContact ND1-O 3.26Å; H714-K735 VanDerWaalsContact ND1-O 3.14Å; H714-K735 WeakPolarHBondContact NE2-CD 3.44Å; H714-K735 PolarHBondContact O-N 3.44Å; H714-Q736 PolarHBondContact CE1-O 3.28Å |
| 715 | E | 80.9 | Confident | 79.5 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 139.9 | 169.7 | -157.3 | 168.7 | 112.4 | 0 | 0 | 109.8 | S705 G733 | S705-E715 WeakPolarHBondContact CB-OE2 3.47Å; S705-E715 PolarHBondContact OG-OE2 3.14Å; E715-G733 WeakPolarHBondContact CA-O 3.41Å |
| 716 | C | 81.8 | Confident | 79.5 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.9 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | G733 C734 K735 C743 | C716-G733 PolarHBondContact N-O 3.32Å; C716-G733 PolarHBondContact SG-O 3.17Å; C716-C734 PolarHBondContact SG-N 3Å; C716-C734 VanDerWaalsContact SG-N 3.38Å; C716-K735 HydrophobicContact CB-CB 3.68Å; C716-K735 HydrophobicContact CB-CD 3.97Å; C716-K735 VanDerWaalsContact SG-CB 3.54Å; C716-C743 HydrophobicContact CB-CB 3.86Å; C716-C743 WeakPolarHBondContact CB-SG 3.36Å; C716-C743 PolarHBondContact O-SG 3.09Å; C716-C743 WeakPolarHBondContact SG-CA 3.48Å; C716-C743 WeakPolarHBondContact SG-CB 3.34Å; C716-C743 CovalentContact SG-SG 2.03Å; C716-C743 PolarHBondContact SG-SG 2.89Å |
| 717 | S | 75.5 | Confident | 79.2 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | trans | -89 | 136.7 | 168.6 | -159.5 | 0 | 0 | 0 | 0 | 109.7 | T719 N783 | S717-T719 PolarHBondContact O-N 3.08Å; S717-N783 WeakPolarHBondContact OG-CA 3.21Å; S717-N783 PolarHBondContact OG-N 3.33Å | ||
| 718 | F | 77.7 | Confident | 79 | Confident | 16 Ų | 16 | 63 Ų | 63 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | trans | -76.8 | 115.7 | 173.3 | -78.5 | -84.2 | 0 | 0 | 0 | 110.5 | V724 L728 M729 C743 D782 | F718-V724 HydrophobicContact CB-CG1 3.85Å; F718-V724 HydrophobicContact CD1-CG1 4.06Å; F718-V724 HydrophobicContact CD1-CG2 4.47Å; F718-V724 HydrophobicContact CG-CG1 4.28Å; F718-L728 HydrophobicContact CD1-CD2 4.23Å; F718-L728 HydrophobicContact CD1-CG 4.42Å; F718-L728 HydrophobicContact CE1-CD2 4.12Å; F718-L728 HydrophobicContact CE1-CG 4.37Å; F718-L728 HydrophobicContact CZ-CG 4.44Å; F718-M729 HydrophobicContact CB-CB 4.25Å; F718-M729 HydrophobicContact CB-CG 3.85Å; F718-C743 HydrophobicContact CD1-CB 4.33Å; F718-C743 HydrophobicContact CE1-CB 3.9Å; F718-C743 WeakPolarHBondContact CE1-O 3.32Å; F718-C743 WeakPolarHBondContact CE2-SG 3.37Å; F718-C743 HydrophobicContact CZ-CB 4.01Å; F718-C743 WeakPolarHBondContact CZ-O 3.44Å; F718-C743 VanDerWaalsContact CZ-SG 3.52Å; F718-D782 WeakPolarHBondContact O-CA 3.48Å | ||
| 719 | T | 74 | Confident | 78.9 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 44% | 0.436 | 33% | 0.325 | S | S | . | . | trans | -77 | 144.7 | 167.9 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | S717 D721 D782 N783 | S717-T719 PolarHBondContact O-N 3.08Å; T719-D721 PolarHBondContact O-N 2.76Å; T719-D782 WeakPolarHBondContact CA-OD1 3.39Å; T719-N783 HydrophobicContact CG2-CB 4.17Å | ||
| 720 | R | 69.3 | Low | 78.7 | Confident | 111 Ų | 111 | 57 Ų | 57 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | trans | -67 | 113.9 | 179.5 | -172.1 | 167.7 | -61.9 | -160 | -4 | 112.5 | M729 D782 C794 | R720-M729 HydrophobicContact CB-CE 3.73Å; R720-M729 HydrophobicContact CG-CE 3.94Å; R720-D782 PolarHBondContact N-OD1 2.86Å; R720-C794 PolarHBondContact NH2-O 3.33Å | ||
| 721 | D | 70.4 | Confident | 78.7 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | trans | -135.2 | 167.9 | 168.8 | -176.7 | 27.2 | 0 | 0 | 0 | 109.3 | T719 I723 V724 | T719-D721 PolarHBondContact O-N 2.76Å; D721-I723 PolarHBondContact O-N 2.92Å; D721-V724 HydrophobicContact CB-CG2 4.4Å; D721-V724 PolarHBondContact O-N 3.14Å | ||
| 722 | K | 62.6 | Low | 78.7 | Confident | 209 Ų | 209 | 51.8 Ų | 51.8 | 91% | 0.909 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.7 | -175.5 | -63 | -178.8 | -179.1 | 179.4 | 0 | 115 | ||
| 723 | I | 68.6 | Low | 78.9 | Confident | 144 Ų | 144 | 49.7 Ų | 49.7 | 74% | 0.738 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -22.7 | 179.7 | -57.1 | 170.6 | 0 | 0 | 0 | 111.1 | D721 V725 | D721-I723 PolarHBondContact O-N 2.92Å; I723-V725 PolarHBondContact O-N 3.1Å |
| 724 | V | 73.6 | Confident | 79 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | trans | -95.9 | 97.3 | -171.5 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | F718 D721 L728 M729 | F718-V724 HydrophobicContact CB-CG1 3.85Å; F718-V724 HydrophobicContact CD1-CG1 4.06Å; F718-V724 HydrophobicContact CD1-CG2 4.47Å; F718-V724 HydrophobicContact CG-CG1 4.28Å; D721-V724 HydrophobicContact CB-CG2 4.4Å; D721-V724 PolarHBondContact O-N 3.14Å; V724-L728 HydrophobicContact CG1-CD2 4.12Å; V724-M729 HydrophobicContact CB-CE 4.18Å; V724-M729 HydrophobicContact CG1-CE 3.5Å; V724-M729 HydrophobicContact CG1-CG 3.89Å; V724-M729 WeakPolarHBondContact O-CE 3.35Å | ||
| 725 | V | 80.1 | Confident | 79.2 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | trans | -63 | 144.6 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | I723 E727 L728 | I723-V725 PolarHBondContact O-N 3.1Å; V725-E727 HydrophobicContact CG2-CB 4.34Å; V725-E727 PolarHBondContact O-N 2.95Å; V725-E727 VanDerWaalsContact O-N 3.07Å; V725-L728 HydrophobicContact CG2-CB 3.76Å; V725-L728 VanDerWaalsContact O-CB 3.28Å; V725-L728 WeakPolarHBondContact O-CB 3.3Å; V725-L728 PolarHBondContact O-N 3.39Å | ||
| 726 | P | 77.4 | Confident | 79.6 | Confident | 43 Ų | 43 | 49 Ų | 49 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.4 | -179.2 | -27.5 | 36.1 | 0 | 0 | 0 | 114.6 | R793 C794 | P726-R793 HydrophobicContact CB-CB 4.36Å; P726-C794 WeakPolarHBondContact O-CB 3.47Å; P726-C794 PolarHBondContact O-N 3.34Å |
| 727 | E | 80 | Confident | 79.6 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.5 | 176.4 | -65.9 | 84.6 | 166.7 | 0 | 0 | 113.2 | V725 M729 C730 F731 M792 R793 | V725-E727 HydrophobicContact CG2-CB 4.34Å; V725-E727 PolarHBondContact O-N 2.95Å; V725-E727 VanDerWaalsContact O-N 3.07Å; E727-M729 VanDerWaalsContact C-N 3.26Å; E727-M729 PolarHBondContact O-N 3.32Å; E727-C730 PolarHBondContact O-N 3.36Å; E727-F731 WeakPolarHBondContact O-CD2 3.42Å; E727-M792 WeakPolarHBondContact CA-O 3.31Å; E727-R793 HydrophobicContact CG-CG 3.9Å; E727-R793 IonicContact OE1-CZ 3.25Å; E727-R793 IonicContact OE1-NE 2.76Å; E727-R793 PolarHBondContact OE1-NE 3.17Å; E727-R793 IonicContact OE1-NH2 2.73Å; E727-R793 PolarHBondContact OE1-NH2 3.24Å |
| 728 | L | 83.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67 | -31.3 | -176.4 | -180 | 61.6 | 0 | 0 | 0 | 112.2 | F718 V724 V725 C730 F747 Q748 | F718-L728 HydrophobicContact CD1-CD2 4.23Å; F718-L728 HydrophobicContact CD1-CG 4.42Å; F718-L728 HydrophobicContact CE1-CD2 4.12Å; F718-L728 HydrophobicContact CE1-CG 4.37Å; F718-L728 HydrophobicContact CZ-CG 4.44Å; V724-L728 HydrophobicContact CG1-CD2 4.12Å; V725-L728 HydrophobicContact CG2-CB 3.76Å; V725-L728 VanDerWaalsContact O-CB 3.28Å; V725-L728 WeakPolarHBondContact O-CB 3.3Å; V725-L728 PolarHBondContact O-N 3.39Å; L728-C730 PolarHBondContact O-N 2.84Å; L728-F747 HydrophobicContact CD1-CB 4.36Å; L728-F747 HydrophobicContact CD1-CD1 4.09Å; L728-Q748 HydrophobicContact CD1-CG 3.62Å |
| 729 | M | 83.2 | Confident | 79.7 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -70.6 | -10 | -178.3 | -51.5 | 172.7 | -172.7 | 0 | 0 | 113.2 | F718 R720 V724 E727 C781 D782 C794 | F718-M729 HydrophobicContact CB-CB 4.25Å; F718-M729 HydrophobicContact CB-CG 3.85Å; R720-M729 HydrophobicContact CB-CE 3.73Å; R720-M729 HydrophobicContact CG-CE 3.94Å; V724-M729 HydrophobicContact CB-CE 4.18Å; V724-M729 HydrophobicContact CG1-CE 3.5Å; V724-M729 HydrophobicContact CG1-CG 3.89Å; V724-M729 WeakPolarHBondContact O-CE 3.35Å; E727-M729 VanDerWaalsContact C-N 3.26Å; E727-M729 PolarHBondContact O-N 3.32Å; M729-C781 HydrophobicContact CB-CB 4.1Å; M729-D782 HydrophobicContact SD-CB 4.34Å; M729-C794 HydrophobicContact CB-CB 3.83Å; M729-C794 HydrophobicContact CG-CB 4.23Å; M729-C794 HydrophobicContact SD-CB 3.48Å; M729-C794 WeakPolarHBondContact SD-CB 3.15Å |
| 730 | C | 83.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -107.4 | 23.6 | -174.1 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | E727 L728 L775 C788 M792 | E727-C730 PolarHBondContact O-N 3.36Å; L728-C730 PolarHBondContact O-N 2.84Å; C730-L775 PolarHBondContact O-N 2.82Å; C730-C788 WeakPolarHBondContact CA-SG 3.4Å; C730-C788 HydrophobicContact CB-CB 3.79Å; C730-C788 WeakPolarHBondContact CB-SG 3.28Å; C730-C788 WeakPolarHBondContact SG-CA 3.31Å; C730-C788 WeakPolarHBondContact SG-CB 3.49Å; C730-C788 CovalentContact SG-SG 2.03Å; C730-C788 PolarHBondContact SG-SG 2.82Å; C730-M792 HydrophobicContact CB-CB 4.46Å; C730-M792 HydrophobicContact CB-CE 3.89Å; C730-M792 WeakPolarHBondContact CB-O 3.18Å; C730-M792 WeakPolarHBondContact O-CE 3.19Å; C730-M792 PolarHBondContact SG-O 3.09Å |
| 731 | F | 87.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 154.1 | 171.3 | -73 | -106.2 | 0 | 0 | 0 | 108.8 | E727 G733 S745 F747 I773 K774 M792 | E727-F731 WeakPolarHBondContact O-CD2 3.42Å; F731-G733 PolarHBondContact O-N 3.08Å; F731-G733 VanDerWaalsContact O-N 3.13Å; F731-S745 WeakPolarHBondContact CB-OG 3.35Å; F731-F747 HydrophobicContact CB-CB 4.12Å; F731-F747 HydrophobicContact CD1-CB 3.75Å; F731-F747 HydrophobicContact CD2-CB 3.78Å; F731-F747 HydrophobicContact CD2-CG 4.22Å; F731-F747 HydrophobicContact CE1-CB 3.93Å; F731-F747 AromaticContact CE1-CD2 3.83Å; F731-F747 HydrophobicContact CE1-CD2 3.83Å; F731-F747 HydrophobicContact CE1-CG 4.28Å; F731-F747 HydrophobicContact CE2-CB 3.98Å; F731-F747 AromaticContact CE2-CD2 3.85Å; F731-F747 HydrophobicContact CE2-CD2 3.85Å; F731-F747 AromaticContact CE2-CG 3.96Å; F731-F747 HydrophobicContact CE2-CG 3.96Å; F731-F747 HydrophobicContact CG-CB 3.65Å; F731-F747 HydrophobicContact CZ-CB 4.04Å; F731-F747 AromaticContact CZ-CD2 3.44Å; F731-F747 HydrophobicContact CZ-CD2 3.44Å; F731-F747 VanDerWaalsContact CZ-CD2 3.44Å; F731-F747 HydrophobicContact CZ-CE2 4.18Å; F731-F747 AromaticContact CZ-CG 3.97Å; F731-F747 HydrophobicContact CZ-CG 3.97Å; F731-I773 CarbonylContact C-O 3.5Å; F731-I773 WeakPolarHBondContact CA-O 3.43Å; F731-K774 HydrophobicContact CD1-CG 3.83Å; F731-K774 HydrophobicContact CE1-CD 4.3Å; F731-K774 HydrophobicContact CE1-CG 3.46Å; F731-K774 VanDerWaalsContact CE1-CG 3.46Å; F731-K774 HydrophobicContact CZ-CD 4.38Å; F731-K774 HydrophobicContact CZ-CG 3.9Å; F731-M792 HydrophobicContact CE2-CE 4.46Å |
| 732 | V | 85.7 | Confident | 81.1 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | trans | -58.7 | 120.2 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | I706 S746 I773 L775 | I706-V732 HydrophobicContact CG2-CG1 4.12Å; V732-S746 PolarHBondContact O-N 3.15Å; V732-S746 PolarHBondContact O-OG 2.85Å; V732-S746 VanDerWaalsContact O-OG 3.09Å; V732-I773 HydrophobicContact CB-CB 4.24Å; V732-I773 HydrophobicContact CB-CG2 4.47Å; V732-I773 HydrophobicContact CG2-CB 3.9Å; V732-I773 HydrophobicContact CG2-CG2 3.61Å; V732-I773 PolarHBondContact N-O 3.1Å; V732-L775 HydrophobicContact CG2-CD2 3.89Å | ||
| 733 | G | 88.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C707 E715 C716 F731 I744 | C707-G733 PolarHBondContact SG-O 2.89Å; C707-G733 VanDerWaalsContact SG-O 3.36Å; E715-G733 WeakPolarHBondContact CA-O 3.41Å; C716-G733 PolarHBondContact N-O 3.32Å; C716-G733 PolarHBondContact SG-O 3.17Å; F731-G733 PolarHBondContact O-N 3.08Å; F731-G733 VanDerWaalsContact O-N 3.13Å; G733-I744 CarbonylContact C-O 3.59Å; G733-I744 WeakPolarHBondContact CA-O 3.39Å |
| 734 | C | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.5 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | C707 W713 H714 C716 I744 L762 I766 | C707-C734 VanDerWaalsContact CA-SG 3.56Å; C707-C734 HydrophobicContact CB-CB 3.62Å; C707-C734 WeakPolarHBondContact CB-SG 3.31Å; C707-C734 WeakPolarHBondContact SG-CA 3.46Å; C707-C734 WeakPolarHBondContact SG-CB 3.34Å; C707-C734 CovalentContact SG-SG 2.03Å; C707-C734 PolarHBondContact SG-SG 2.95Å; W713-C734 HydrophobicContact CE3-CB 4.04Å; W713-C734 HydrophobicContact CZ3-CB 4.41Å; H714-C734 CarbonylContact O-C 3.5Å; H714-C734 WeakPolarHBondContact O-CA 3.4Å; C716-C734 PolarHBondContact SG-N 3Å; C716-C734 VanDerWaalsContact SG-N 3.38Å; C734-I744 PolarHBondContact N-O 3.42Å; C734-I744 PolarHBondContact O-N 3.09Å; C734-L762 HydrophobicContact CB-CD1 3.65Å; C734-L762 HydrophobicContact CB-CD2 4.18Å; C734-I766 HydrophobicContact CB-CD1 4.48Å |
| 735 | K | 88.4 | Confident | 84.1 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 19% | 0.191 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.2 | -176.1 | 175.7 | 176.4 | 160.5 | -162.6 | 0 | 110.5 | D533 W713 H714 C716 A741 | D533-K735 IonicContact OD1-NZ 1.81Å; D533-K735 PolarHBondContact OD1-NZ 2.95Å; D533-K735 IonicContact OD2-NZ 3.31Å; D533-K735 PolarHBondContact OD2-NZ 3.12Å; W713-K735 CarbonylContact C-O 3.58Å; W713-K735 VanDerWaalsContact CA-O 3.25Å; W713-K735 WeakPolarHBondContact CA-O 3.39Å; W713-K735 VanDerWaalsContact CE3-C 3.4Å; H714-K735 PolarHBondContact CE1-O 2.97Å; H714-K735 PolarHBondContact N-O 2.82Å; H714-K735 PolarHBondContact ND1-O 3.26Å; H714-K735 VanDerWaalsContact ND1-O 3.14Å; H714-K735 WeakPolarHBondContact NE2-CD 3.44Å; H714-K735 PolarHBondContact O-N 3.44Å; C716-K735 HydrophobicContact CB-CB 3.68Å; C716-K735 HydrophobicContact CB-CD 3.97Å; C716-K735 VanDerWaalsContact SG-CB 3.54Å; K735-A741 HydrophobicContact CG-CB 4.36Å |
| 736 | Q | 89.5 | Confident | 84.5 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 145.5 | 173.8 | -67 | 179.8 | 0.6 | 0 | 0 | 110.5 | G712 W713 H714 I738 A741 | G712-Q736 CarbonylContact O-C 3.49Å; G712-Q736 WeakPolarHBondContact O-CA 3.37Å; W713-Q736 HydrophobicContact CD2-CG 3.6Å; W713-Q736 VanDerWaalsContact CE2-CG 3.45Å; W713-Q736 HydrophobicContact CE3-CG 3.76Å; W713-Q736 HydrophobicContact CG-CG 4.32Å; W713-Q736 HydrophobicContact CH2-CG 3.69Å; W713-Q736 HydrophobicContact CZ2-CG 3.56Å; W713-Q736 HydrophobicContact CZ3-CG 3.77Å; H714-Q736 PolarHBondContact CE1-O 3.28Å; Q736-I738 HydrophobicContact CB-CD1 4.42Å; Q736-I738 HydrophobicContact CB-CG1 4.29Å; Q736-I738 PolarHBondContact O-N 3.48Å; Q736-A741 HydrophobicContact CB-CB 3.78Å; Q736-A741 WeakPolarHBondContact O-CB 3Å |
| 737 | N | 81.8 | Confident | 85.1 | Confident | 131 Ų | 131 | 39.9 Ų | 39.9 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -77.7 | 55.8 | 175 | -163.2 | 5 | 0 | 0 | 0 | 111 | G712 | G712-N737 PolarHBondContact O-N 2.91Š|
| 738 | I | 82.4 | Confident | 85.5 | Confident | 108 Ų | 108 | 39 Ų | 39 | 55% | 0.554 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -134.1 | 133 | 179.3 | -56.1 | 178.8 | 0 | 0 | 0 | 106.8 | Q736 G740 A741 | Q736-I738 HydrophobicContact CB-CD1 4.42Å; Q736-I738 HydrophobicContact CB-CG1 4.29Å; Q736-I738 PolarHBondContact O-N 3.48Å; I738-G740 PolarHBondContact O-N 3.47Å; I738-A741 HydrophobicContact CB-CB 4.33Å; I738-A741 VanDerWaalsContact O-CB 3.26Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.37Å |
| 739 | S | 72.6 | Confident | 85.8 | Confident | 130 Ų | 130 | 38.4 Ų | 38.4 | 91% | 0.909 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 126.1 | 178.4 | -170.4 | 0 | 0 | 0 | 0 | 111 | ||
| 740 | G | 74.3 | Confident | 86 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 83% | 0.825 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 5.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I738 | I738-G740 PolarHBondContact O-N 3.47Š|
| 741 | A | 83.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 45 Ų | 45 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 137 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K735 Q736 I738 | K735-A741 HydrophobicContact CG-CB 4.36Å; Q736-A741 HydrophobicContact CB-CB 3.78Å; Q736-A741 WeakPolarHBondContact O-CB 3Å; I738-A741 HydrophobicContact CB-CB 4.33Å; I738-A741 VanDerWaalsContact O-CB 3.26Å; I738-A741 WeakPolarHBondContact O-CB 3.47Å; I738-A741 PolarHBondContact O-N 3.37Å |
| 742 | P | 86.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 148.2 | 176.6 | 30.2 | -34.9 | 0 | 0 | 0 | 111.5 | I744 | P742-I744 HydrophobicContact CG-CD1 4.23Å; P742-I744 HydrophobicContact CG-CG1 4.28Å |
| 743 | C | 87.8 | Confident | 86.4 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 130.4 | 160 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | C716 F718 | C716-C743 HydrophobicContact CB-CB 3.86Å; C716-C743 WeakPolarHBondContact CB-SG 3.36Å; C716-C743 PolarHBondContact O-SG 3.09Å; C716-C743 WeakPolarHBondContact SG-CA 3.48Å; C716-C743 WeakPolarHBondContact SG-CB 3.34Å; C716-C743 CovalentContact SG-SG 2.03Å; C716-C743 PolarHBondContact SG-SG 2.89Å; F718-C743 HydrophobicContact CD1-CB 4.33Å; F718-C743 HydrophobicContact CE1-CB 3.9Å; F718-C743 WeakPolarHBondContact CE1-O 3.32Å; F718-C743 WeakPolarHBondContact CE2-SG 3.37Å; F718-C743 HydrophobicContact CZ-CB 4.01Å; F718-C743 WeakPolarHBondContact CZ-O 3.44Å; F718-C743 VanDerWaalsContact CZ-SG 3.52Å |
| 744 | I | 89.8 | Confident | 86.5 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.5 | -174.1 | -68 | 156.5 | 0 | 0 | 0 | 108.7 | W713 G733 C734 P742 L749 L755 Y759 L762 | W713-I744 HydrophobicContact CH2-CD1 3.92Å; W713-I744 HydrophobicContact CZ3-CD1 3.99Å; G733-I744 CarbonylContact C-O 3.59Å; G733-I744 WeakPolarHBondContact CA-O 3.39Å; C734-I744 PolarHBondContact N-O 3.42Å; C734-I744 PolarHBondContact O-N 3.09Å; P742-I744 HydrophobicContact CG-CD1 4.23Å; P742-I744 HydrophobicContact CG-CG1 4.28Å; I744-L749 HydrophobicContact CG2-CD1 4.21Å; I744-L749 HydrophobicContact CG2-CD2 3.84Å; I744-L749 HydrophobicContact CG2-CG 3.9Å; I744-L755 HydrophobicContact CG2-CD2 3.88Å; I744-Y759 HydrophobicContact CD1-CD1 4.16Å; I744-Y759 HydrophobicContact CD1-CD2 3.68Å; I744-Y759 HydrophobicContact CD1-CE1 3.9Å; I744-Y759 HydrophobicContact CD1-CE2 3.4Å; I744-Y759 HydrophobicContact CD1-CG 4.05Å; I744-Y759 HydrophobicContact CG1-CE2 4.35Å; I744-L762 HydrophobicContact CB-CD2 4.1Å; I744-L762 HydrophobicContact CG2-CD2 3.75Å |
| 745 | S | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.7 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | F731 F747 Q748 L749 | F731-S745 WeakPolarHBondContact CB-OG 3.35Å; S745-F747 PolarHBondContact O-N 3.48Å; S745-F747 PolarHBondContact OG-N 3.05Å; S745-F747 VanDerWaalsContact OG-N 3.14Å; S745-Q748 VanDerWaalsContact N-OE1 3.11Å; S745-Q748 PolarHBondContact O-N 3.11Å; S745-L749 PolarHBondContact O-N 2.85Å |
| 746 | S | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.9 | -24.6 | 165.2 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | V732 E750 L767 I773 | V732-S746 PolarHBondContact O-N 3.15Å; V732-S746 PolarHBondContact O-OG 2.85Å; V732-S746 VanDerWaalsContact O-OG 3.09Å; S746-E750 PolarHBondContact O-N 3.14Å; S746-E750 VanDerWaalsContact O-N 3.1Å; S746-L767 WeakPolarHBondContact O-CD2 3.42Å; S746-I773 PolarHBondContact OG-N 2.98Å; S746-I773 PolarHBondContact OG-O 3.21Å |
| 747 | F | 88.5 | Confident | 86.5 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.7 | -36.1 | 169.6 | -177.6 | -111 | 0 | 0 | 0 | 113.5 | L728 F731 S745 E750 T751 | L728-F747 HydrophobicContact CD1-CB 4.36Å; L728-F747 HydrophobicContact CD1-CD1 4.09Å; F731-F747 HydrophobicContact CB-CB 4.12Å; F731-F747 HydrophobicContact CD1-CB 3.75Å; F731-F747 HydrophobicContact CD2-CB 3.78Å; F731-F747 HydrophobicContact CD2-CG 4.22Å; F731-F747 HydrophobicContact CE1-CB 3.93Å; F731-F747 AromaticContact CE1-CD2 3.83Å; F731-F747 HydrophobicContact CE1-CD2 3.83Å; F731-F747 HydrophobicContact CE1-CG 4.28Å; F731-F747 HydrophobicContact CE2-CB 3.98Å; F731-F747 AromaticContact CE2-CD2 3.85Å; F731-F747 HydrophobicContact CE2-CD2 3.85Å; F731-F747 AromaticContact CE2-CG 3.96Å; F731-F747 HydrophobicContact CE2-CG 3.96Å; F731-F747 HydrophobicContact CG-CB 3.65Å; F731-F747 HydrophobicContact CZ-CB 4.04Å; F731-F747 AromaticContact CZ-CD2 3.44Å; F731-F747 HydrophobicContact CZ-CD2 3.44Å; F731-F747 VanDerWaalsContact CZ-CD2 3.44Å; F731-F747 HydrophobicContact CZ-CE2 4.18Å; F731-F747 AromaticContact CZ-CG 3.97Å; F731-F747 HydrophobicContact CZ-CG 3.97Å; S745-F747 PolarHBondContact O-N 3.48Å; S745-F747 PolarHBondContact OG-N 3.05Å; S745-F747 VanDerWaalsContact OG-N 3.14Å; F747-E750 PolarHBondContact O-N 3.38Å; F747-T751 HydrophobicContact CD2-CG2 4.29Å; F747-T751 HydrophobicContact CE1-CG2 4.25Å; F747-T751 HydrophobicContact CE2-CG2 3.84Å; F747-T751 HydrophobicContact CZ-CG2 3.82Å; F747-T751 PolarHBondContact O-N 2.68Å; F747-T751 PolarHBondContact O-OG1 2.81Å |
| 748 | Q | 89.1 | Confident | 87 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 174.8 | -68 | 172.7 | -79.6 | 0 | 0 | 111.1 | L728 S745 E750 T751 E752 L755 | L728-Q748 HydrophobicContact CD1-CG 3.62Å; S745-Q748 VanDerWaalsContact N-OE1 3.11Å; S745-Q748 PolarHBondContact O-N 3.11Å; Q748-E750 VanDerWaalsContact C-N 3.26Å; Q748-E750 PolarHBondContact O-N 2.91Å; Q748-T751 PolarHBondContact O-N 2.65Å; Q748-E752 WeakPolarHBondContact CG-OE1 3.17Å; Q748-E752 PolarHBondContact NE2-OE1 2.93Å; Q748-E752 WeakPolarHBondContact O-CA 3.02Å; Q748-E752 VanDerWaalsContact O-CB 3.29Å; Q748-E752 WeakPolarHBondContact O-CB 3.09Å; Q748-E752 PolarHBondContact O-N 3.45Å; Q748-L755 HydrophobicContact CB-CD2 3.53Å; Q748-L755 HydrophobicContact CG-CD2 4.49Å |
| 749 | L | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.5 | -22.3 | 173.1 | -59.5 | 177.9 | 0 | 0 | 0 | 113.1 | I744 S745 L755 R756 L762 A763 I766 L767 | I744-L749 HydrophobicContact CG2-CD1 4.21Å; I744-L749 HydrophobicContact CG2-CD2 3.84Å; I744-L749 HydrophobicContact CG2-CG 3.9Å; S745-L749 PolarHBondContact O-N 2.85Å; L749-L755 HydrophobicContact CD2-CB 4.48Å; L749-L755 HydrophobicContact CD2-CD2 4.21Å; L749-L755 HydrophobicContact CD2-CG 4.12Å; L749-R756 WeakPolarHBondContact O-CD 3.22Å; L749-L762 HydrophobicContact CD1-CB 4.2Å; L749-L762 HydrophobicContact CD1-CD2 3.66Å; L749-L762 HydrophobicContact CD1-CG 3.7Å; L749-A763 HydrophobicContact CD1-CB 4.27Å; L749-I766 HydrophobicContact CD1-CD1 3.68Å; L749-I766 HydrophobicContact CD1-CG1 3.74Å; L749-L767 HydrophobicContact CB-CD1 4.13Å; L749-L767 HydrophobicContact CB-CD2 4.02Å; L749-L767 HydrophobicContact CB-CG 4.23Å |
| 750 | E | 88.3 | Confident | 88.2 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.4 | -36.3 | 170.4 | 178.7 | 170.3 | -165.5 | 0 | 0 | 112 | S746 F747 Q748 L767 G772 | S746-E750 PolarHBondContact O-N 3.14Å; S746-E750 VanDerWaalsContact O-N 3.1Å; F747-E750 PolarHBondContact O-N 3.38Å; Q748-E750 VanDerWaalsContact C-N 3.26Å; Q748-E750 PolarHBondContact O-N 2.91Å; E750-L767 HydrophobicContact CB-CD2 4.2Å; E750-G772 PolarHBondContact OE2-N 2.83Å |
| 751 | T | 86.6 | Confident | 88.9 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -103.9 | -35 | -170.3 | 52.2 | 0 | 0 | 0 | 0 | 115.5 | F747 Q748 | F747-T751 HydrophobicContact CD2-CG2 4.29Å; F747-T751 HydrophobicContact CE1-CG2 4.25Å; F747-T751 HydrophobicContact CE2-CG2 3.84Å; F747-T751 HydrophobicContact CZ-CG2 3.82Å; F747-T751 PolarHBondContact O-N 2.68Å; F747-T751 PolarHBondContact O-OG1 2.81Å; Q748-T751 PolarHBondContact O-N 2.65Å |
| 752 | E | 88.9 | Confident | 89.3 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -97.3 | 98.1 | -178.1 | -59.7 | 175.9 | -145.8 | 0 | 0 | 110.8 | Q748 D754 L755 R756 | Q748-E752 WeakPolarHBondContact CG-OE1 3.17Å; Q748-E752 PolarHBondContact NE2-OE1 2.93Å; Q748-E752 WeakPolarHBondContact O-CA 3.02Å; Q748-E752 VanDerWaalsContact O-CB 3.29Å; Q748-E752 WeakPolarHBondContact O-CB 3.09Å; Q748-E752 PolarHBondContact O-N 3.45Å; E752-D754 VanDerWaalsContact C-N 3.26Å; E752-D754 PolarHBondContact O-N 2.95Å; E752-L755 HydrophobicContact CB-CB 3.68Å; E752-L755 PolarHBondContact O-N 3.29Å; E752-L755 VanDerWaalsContact O-N 3.16Å; E752-R756 PolarHBondContact O-N 3.39Å | ||
| 753 | L | 88.6 | Confident | 89.4 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 73% | 0.728 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.3 | -38.2 | 178.1 | -88 | 85.7 | 0 | 0 | 0 | 112.8 | R756 A757 | L753-R756 WeakPolarHBondContact O-CB 3.35Å; L753-R756 PolarHBondContact O-N 3.47Å; L753-A757 WeakPolarHBondContact O-CB 3.35Å; L753-A757 PolarHBondContact O-N 2.96Å |
| 754 | D | 90.3 | Very high | 89.4 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 78% | 0.775 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 179.3 | -63.9 | -35.5 | 0 | 0 | 0 | 112 | E752 A757 K758 | E752-D754 VanDerWaalsContact C-N 3.26Å; E752-D754 PolarHBondContact O-N 2.95Å; D754-A757 PolarHBondContact O-N 3.3Å; D754-K758 WeakPolarHBondContact O-CB 3.32Å; D754-K758 PolarHBondContact O-N 3.03Å |
| 755 | L | 89.1 | Confident | 89.3 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 175.6 | -160.7 | 72.5 | 0 | 0 | 0 | 111 | I744 Q748 L749 E752 K758 Y759 | I744-L755 HydrophobicContact CG2-CD2 3.88Å; Q748-L755 HydrophobicContact CB-CD2 3.53Å; Q748-L755 HydrophobicContact CG-CD2 4.49Å; L749-L755 HydrophobicContact CD2-CB 4.48Å; L749-L755 HydrophobicContact CD2-CD2 4.21Å; L749-L755 HydrophobicContact CD2-CG 4.12Å; E752-L755 HydrophobicContact CB-CB 3.68Å; E752-L755 PolarHBondContact O-N 3.29Å; E752-L755 VanDerWaalsContact O-N 3.16Å; L755-K758 PolarHBondContact O-N 3.12Å; L755-Y759 HydrophobicContact CD1-CD2 3.96Å; L755-Y759 HydrophobicContact CD1-CE2 3.71Å; L755-Y759 HydrophobicContact CG-CD2 4.08Å; L755-Y759 HydrophobicContact CG-CE2 4.33Å; L755-Y759 WeakPolarHBondContact O-CD2 3.48Å; L755-Y759 PolarHBondContact O-N 2.9Å |
| 756 | R | 90 | Very high | 89.2 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 172.6 | -175.1 | 174.8 | 179.9 | 166.6 | -1.8 | 112.4 | L749 E752 L753 K758 Y759 A763 | L749-R756 WeakPolarHBondContact O-CD 3.22Å; E752-R756 PolarHBondContact O-N 3.39Å; L753-R756 WeakPolarHBondContact O-CB 3.35Å; L753-R756 PolarHBondContact O-N 3.47Å; R756-K758 VanDerWaalsContact C-N 3.33Å; R756-Y759 CarbonylContact O-C 3.6Å; R756-A763 HydrophobicContact CG-CB 3.75Å |
| 757 | A | 90.3 | Very high | 89.1 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.3 | -32 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L753 D754 | L753-A757 WeakPolarHBondContact O-CB 3.35Å; L753-A757 PolarHBondContact O-N 2.96Å; D754-A757 PolarHBondContact O-N 3.3Å |
| 758 | K | 91.2 | Very high | 88.5 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 61% | 0.613 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -75 | -31 | 176.3 | -173.2 | 176.5 | 177.2 | -175.2 | 0 | 113.6 | D754 L755 R756 P760 | D754-K758 WeakPolarHBondContact O-CB 3.32Å; D754-K758 PolarHBondContact O-N 3.03Å; L755-K758 PolarHBondContact O-N 3.12Å; R756-K758 VanDerWaalsContact C-N 3.33Å; K758-P760 VanDerWaalsContact C-CD 3.44Å |
| 759 | Y | 91.1 | Very high | 88.1 | Confident | 32 Ų | 32 | 75.6 Ų | 75.6 | 13% | 0.125 | 39% | 0.389 | C | S | . | . | trans | -126.7 | 59.6 | -178.3 | -57.7 | -76.2 | 0 | 0 | 0 | 112.9 | W713 I744 L755 R756 Q761 L762 A763 | W713-Y759 AromaticContact CH2-CD1 3.69Å; W713-Y759 HydrophobicContact CH2-CD1 3.69Å; W713-Y759 HydrophobicContact CH2-CE1 4.06Å; W713-Y759 HydrophobicContact CH2-CG 4.33Å; W713-Y759 AromaticContact CZ2-CD1 3.98Å; W713-Y759 HydrophobicContact CZ2-CD1 3.98Å; W713-Y759 HydrophobicContact CZ2-CE1 4.49Å; I744-Y759 HydrophobicContact CD1-CD1 4.16Å; I744-Y759 HydrophobicContact CD1-CD2 3.68Å; I744-Y759 HydrophobicContact CD1-CE1 3.9Å; I744-Y759 HydrophobicContact CD1-CE2 3.4Å; I744-Y759 HydrophobicContact CD1-CG 4.05Å; I744-Y759 HydrophobicContact CG1-CE2 4.35Å; L755-Y759 HydrophobicContact CD1-CD2 3.96Å; L755-Y759 HydrophobicContact CD1-CE2 3.71Å; L755-Y759 HydrophobicContact CG-CD2 4.08Å; L755-Y759 HydrophobicContact CG-CE2 4.33Å; L755-Y759 WeakPolarHBondContact O-CD2 3.48Å; L755-Y759 PolarHBondContact O-N 2.9Å; R756-Y759 CarbonylContact O-C 3.6Å; Y759-Q761 PolarHBondContact O-N 3.39Å; Y759-L762 PolarHBondContact O-N 2.99Å; Y759-L762 VanDerWaalsContact O-N 3.17Å; Y759-A763 PolarHBondContact O-N 3.48Å | ||
| 760 | P | 90.3 | Very high | 87.5 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | -170.9 | 26 | -34.8 | 0 | 0 | 0 | 113.3 | K758 A763 V764 | K758-P760 VanDerWaalsContact C-CD 3.44Å; P760-A763 PolarHBondContact O-N 3.12Å; P760-V764 WeakPolarHBondContact O-CG2 3.42Å; P760-V764 PolarHBondContact O-N 2.96Å; P760-V764 VanDerWaalsContact O-N 3.08Å |
| 761 | Q | 89.2 | Confident | 87.3 | Confident | 141 Ų | 141 | 82.2 Ų | 82.2 | 66% | 0.659 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 175.2 | -70.9 | -179.4 | -18.4 | 0 | 0 | 111.8 | I710 Y759 V764 E765 | I710-Q761 HydrophobicContact CD1-CB 4.3Å; Y759-Q761 PolarHBondContact O-N 3.39Å; Q761-V764 PolarHBondContact O-N 2.85Å; Q761-E765 PolarHBondContact O-N 3.29Å |
| 762 | L | 90.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.6 | -172.5 | 68.9 | 0 | 0 | 0 | 111 | I710 W713 C734 I744 L749 Y759 V764 E765 I766 | I710-L762 HydrophobicContact CD1-CB 4.23Å; I710-L762 HydrophobicContact CD1-CD1 3.98Å; W713-L762 HydrophobicContact CD2-CD1 4.36Å; W713-L762 HydrophobicContact CE3-CD1 4.11Å; W713-L762 HydrophobicContact CE3-CD2 4.3Å; W713-L762 HydrophobicContact CH2-CB 4.33Å; W713-L762 HydrophobicContact CH2-CD1 4.49Å; W713-L762 HydrophobicContact CH2-CD2 3.67Å; W713-L762 HydrophobicContact CH2-CG 4.39Å; W713-L762 HydrophobicContact CZ2-CB 4.36Å; W713-L762 HydrophobicContact CZ2-CD2 4.46Å; W713-L762 HydrophobicContact CZ3-CD1 4.21Å; W713-L762 HydrophobicContact CZ3-CD2 3.59Å; W713-L762 HydrophobicContact CZ3-CG 4.42Å; C734-L762 HydrophobicContact CB-CD1 3.65Å; C734-L762 HydrophobicContact CB-CD2 4.18Å; I744-L762 HydrophobicContact CB-CD2 4.1Å; I744-L762 HydrophobicContact CG2-CD2 3.75Å; L749-L762 HydrophobicContact CD1-CB 4.2Å; L749-L762 HydrophobicContact CD1-CD2 3.66Å; L749-L762 HydrophobicContact CD1-CG 3.7Å; Y759-L762 PolarHBondContact O-N 2.99Å; Y759-L762 VanDerWaalsContact O-N 3.17Å; L762-V764 PolarHBondContact O-N 2.79Å; L762-E765 PolarHBondContact O-N 2.96Å; L762-I766 HydrophobicContact CD1-CD1 4.06Å; L762-I766 HydrophobicContact CD1-CG1 4.5Å; L762-I766 HydrophobicContact CD1-CG2 3.94Å; L762-I766 HydrophobicContact CD2-CD1 4.14Å; L762-I766 HydrophobicContact CG-CD1 3.84Å; L762-I766 HydrophobicContact CG-CG1 4.2Å; L762-I766 WeakPolarHBondContact O-CG1 3.22Å; L762-I766 PolarHBondContact O-N 2.83Å |
| 763 | A | 90.2 | Very high | 87 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.8 | -26.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L749 R756 Y759 P760 L767 | L749-A763 HydrophobicContact CD1-CB 4.27Å; R756-A763 HydrophobicContact CG-CB 3.75Å; Y759-A763 PolarHBondContact O-N 3.48Å; P760-A763 PolarHBondContact O-N 3.12Å; A763-L767 HydrophobicContact CB-CD1 4.01Å; A763-L767 VanDerWaalsContact O-CB 3.24Å; A763-L767 WeakPolarHBondContact O-CB 3.39Å; A763-L767 WeakPolarHBondContact O-CG 3.38Å; A763-L767 PolarHBondContact O-N 2.95Å |
| 764 | V | 87.1 | Confident | 86.6 | Confident | 114 Ų | 114 | 76.4 Ų | 76.4 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.8 | -41.4 | 173.7 | 168 | 0 | 0 | 0 | 0 | 111.6 | P760 Q761 L762 | P760-V764 WeakPolarHBondContact O-CG2 3.42Å; P760-V764 PolarHBondContact O-N 2.96Å; P760-V764 VanDerWaalsContact O-N 3.08Å; Q761-V764 PolarHBondContact O-N 2.85Å; L762-V764 PolarHBondContact O-N 2.79Å |
| 765 | E | 86.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -82.8 | -29.1 | -175.9 | -64.1 | -69.3 | -178 | 0 | 0 | 113.4 | I706 R709 I710 Q761 L762 | I706-E765 VanDerWaalsContact CG1-O 3.31Å; I706-E765 WeakPolarHBondContact CG1-O 3.5Å; R709-E765 WeakPolarHBondContact CD-OE2 3.32Å; R709-E765 IonicContact CZ-OE1 3.6Å; R709-E765 VanDerWaalsContact CZ-OE1 3.31Å; R709-E765 IonicContact CZ-OE2 3.74Å; R709-E765 IonicContact NE-OE1 2.75Å; R709-E765 PolarHBondContact NE-OE1 3.1Å; R709-E765 IonicContact NE-OE2 2.79Å; R709-E765 PolarHBondContact NE-OE2 3.01Å; R709-E765 IonicContact NH2-OE1 3.34Å; R709-E765 PolarHBondContact NH2-OE1 3.41Å; R709-E765 IonicContact NH2-OE2 2.74Å; I710-E765 HydrophobicContact CD1-CB 4.28Å; I710-E765 HydrophobicContact CD1-CG 4.1Å; I710-E765 HydrophobicContact CG1-CB 4.5Å; I710-E765 HydrophobicContact CG1-CG 4.06Å; Q761-E765 PolarHBondContact O-N 3.29Å; L762-E765 PolarHBondContact O-N 2.96Å |
| 766 | I | 86.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -111.5 | 1.7 | -173.9 | 87.2 | 175 | 0 | 0 | 0 | 116 | I706 C734 L749 L762 I773 | I706-I766 HydrophobicContact CG1-CG2 4.33Å; I706-I766 HydrophobicContact CG2-CG2 3.99Å; C734-I766 HydrophobicContact CB-CD1 4.48Å; L749-I766 HydrophobicContact CD1-CD1 3.68Å; L749-I766 HydrophobicContact CD1-CG1 3.74Å; L762-I766 HydrophobicContact CD1-CD1 4.06Å; L762-I766 HydrophobicContact CD1-CG1 4.5Å; L762-I766 HydrophobicContact CD1-CG2 3.94Å; L762-I766 HydrophobicContact CD2-CD1 4.14Å; L762-I766 HydrophobicContact CG-CD1 3.84Å; L762-I766 HydrophobicContact CG-CG1 4.2Å; L762-I766 WeakPolarHBondContact O-CG1 3.22Å; L762-I766 PolarHBondContact O-N 2.83Å; I766-I773 HydrophobicContact CB-CD1 4.48Å; I766-I773 WeakPolarHBondContact O-CG1 3.39Å |
| 767 | L | 87.8 | Confident | 82.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 107.7 | 170.6 | -60.9 | 178.2 | 0 | 0 | 0 | 111.5 | S746 L749 E750 A763 N769 R771 | S746-L767 WeakPolarHBondContact O-CD2 3.42Å; L749-L767 HydrophobicContact CB-CD1 4.13Å; L749-L767 HydrophobicContact CB-CD2 4.02Å; L749-L767 HydrophobicContact CB-CG 4.23Å; E750-L767 HydrophobicContact CB-CD2 4.2Å; A763-L767 HydrophobicContact CB-CD1 4.01Å; A763-L767 VanDerWaalsContact O-CB 3.24Å; A763-L767 WeakPolarHBondContact O-CB 3.39Å; A763-L767 WeakPolarHBondContact O-CG 3.38Å; A763-L767 PolarHBondContact O-N 2.95Å; L767-N769 PolarHBondContact O-N 3.05Å; L767-R771 CarbonylContact C-O 3.55Å; L767-R771 WeakPolarHBondContact CA-O 3.42Å |
| 768 | R | 77.3 | Confident | 80.7 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.9 | 176.4 | -71.5 | -176.5 | 166 | -133 | -15.1 | 109.9 | D692 G693 G770 R771 I773 | D692-R768 PolarHBondContact O-NH1 3.09Å; D692-R768 PolarHBondContact O-NH2 3.48Å; G693-R768 PolarHBondContact O-NH2 3Å; R768-G770 PolarHBondContact O-N 3.32Å; R768-G770 VanDerWaalsContact O-N 3.16Å; R768-R771 PolarHBondContact N-O 3.46Å; R768-R771 PolarHBondContact O-N 3.08Å; R768-I773 HydrophobicContact CG-CD1 4.37Å; R768-I773 HydrophobicContact CG-CG1 4.25Å |
| 769 | N | 79.4 | Confident | 79.2 | Confident | 176 Ų | 176 | 60.2 Ų | 60.2 | 94% | 0.941 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 36.8 | -173.7 | -62 | -15.2 | 0 | 0 | 0 | 112.8 | L767 | L767-N769 PolarHBondContact O-N 3.05Š|
| 770 | G | 78.1 | Confident | 77.8 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -3.6 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | R768 | R768-G770 PolarHBondContact O-N 3.32Å; R768-G770 VanDerWaalsContact O-N 3.16Å |
| 771 | R | 84.6 | Confident | 76.9 | Confident | 181 Ų | 181 | 56.5 Ų | 56.5 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 147 | 178.4 | -63.2 | -178.7 | 177 | 165.3 | -0 | 112.5 | L767 R768 | L767-R771 CarbonylContact C-O 3.55Å; L767-R771 WeakPolarHBondContact CA-O 3.42Å; R768-R771 PolarHBondContact N-O 3.46Å; R768-R771 PolarHBondContact O-N 3.08Å |
| 772 | G | 83.2 | Confident | 76.2 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 150.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E750 K774 | E750-G772 PolarHBondContact OE2-N 2.83Å; G772-K774 PolarHBondContact O-N 3Å |
| 773 | I | 84.6 | Confident | 75.2 | Confident | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | trans | -84.3 | 108.1 | 179.7 | -60 | 168.5 | 0 | 0 | 0 | 108.4 | I706 F731 V732 S746 I766 R768 | I706-I773 HydrophobicContact CG2-CD1 4.18Å; F731-I773 CarbonylContact C-O 3.5Å; F731-I773 WeakPolarHBondContact CA-O 3.43Å; V732-I773 HydrophobicContact CB-CB 4.24Å; V732-I773 HydrophobicContact CB-CG2 4.47Å; V732-I773 HydrophobicContact CG2-CB 3.9Å; V732-I773 HydrophobicContact CG2-CG2 3.61Å; V732-I773 PolarHBondContact N-O 3.1Å; S746-I773 PolarHBondContact OG-N 2.98Å; S746-I773 PolarHBondContact OG-O 3.21Å; I766-I773 HydrophobicContact CB-CD1 4.48Å; I766-I773 WeakPolarHBondContact O-CG1 3.39Å; R768-I773 HydrophobicContact CG-CD1 4.37Å; R768-I773 HydrophobicContact CG-CG1 4.25Å | ||
| 774 | K | 80.5 | Confident | 74.1 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | B | Isolated β-bridge | trans | -73.6 | 141.3 | 177.4 | -68.6 | -176.3 | 179.7 | -170.8 | 0 | 111.4 | F731 G772 M792 | F731-K774 HydrophobicContact CD1-CG 3.83Å; F731-K774 HydrophobicContact CE1-CD 4.3Å; F731-K774 HydrophobicContact CE1-CG 3.46Å; F731-K774 VanDerWaalsContact CE1-CG 3.46Å; F731-K774 HydrophobicContact CZ-CD 4.38Å; F731-K774 HydrophobicContact CZ-CG 3.9Å; G772-K774 PolarHBondContact O-N 3Å; K774-M792 HydrophobicContact CB-CE 3.7Å; K774-M792 HydrophobicContact CD-CE 3.98Å; K774-M792 HydrophobicContact CD-SD 4.14Å; K774-M792 HydrophobicContact CG-CE 3.83Å |
| 775 | L | 73.2 | Confident | 73.1 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.199 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 145.1 | 163.6 | -56.8 | -177.6 | 0 | 0 | 0 | 109.2 | C730 V732 A779 M792 | C730-L775 PolarHBondContact O-N 2.82Å; V732-L775 HydrophobicContact CG2-CD2 3.89Å; L775-A779 HydrophobicContact CB-CB 3.84Å; L775-M792 WeakPolarHBondContact O-CE 3.27Å |
| 776 | P | 57 | Low | 72.1 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 146.9 | 175.4 | 28 | -32.7 | 0 | 0 | 0 | 110.7 | G778 A779 | P776-G778 PolarHBondContact O-N 2.89Å; P776-A779 HydrophobicContact CG-CB 4.12Å; P776-A779 WeakPolarHBondContact O-CB 3.39Å; P776-A779 PolarHBondContact O-N 3.4Å |
| 777 | P | 54.3 | Low | 71 | Confident | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.4 | 171.5 | -29.7 | 39 | 0 | 0 | 0 | 111.8 | I178 T180 A779 C788 V790 | I178-P777 WeakPolarHBondContact CB-O 3.33Å; T180-P777 HydrophobicContact CG2-CB 4.03Å; T180-P777 HydrophobicContact CG2-CG 3.64Å; P777-A779 VanDerWaalsContact C-N 3.32Å; P777-C788 CarbonylContact C-O 3.42Å; P777-C788 VanDerWaalsContact CA-O 3.23Å; P777-C788 WeakPolarHBondContact CA-O 3.34Å; P777-V790 HydrophobicContact CB-CG1 4.09Å; P777-V790 HydrophobicContact CG-CG1 4.41Å |
| 778 | G | 51.4 | Low | 70 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -10 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I178 P776 C788 | I178-G778 WeakPolarHBondContact CD1-O 3.35Å; P776-G778 PolarHBondContact O-N 2.89Å; G778-C788 PolarHBondContact N-O 2.91Å |
| 779 | A | 59.1 | Low | 69.4 | Low | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -65.3 | 144.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L775 P776 P777 Y787 C788 | L775-A779 HydrophobicContact CB-CB 3.84Å; P776-A779 HydrophobicContact CG-CB 4.12Å; P776-A779 WeakPolarHBondContact O-CB 3.39Å; P776-A779 PolarHBondContact O-N 3.4Å; P777-A779 VanDerWaalsContact C-N 3.32Å; A779-Y787 VanDerWaalsContact O-CA 3.28Å; A779-Y787 WeakPolarHBondContact O-CA 3.37Å; A779-C788 PolarHBondContact O-N 2.98Å | ||
| 780 | P | 62.4 | Low | 68.7 | Low | 30 Ų | 30 | 40.2 Ų | 40.2 | 20% | 0.195 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 142.7 | -179.8 | 26.5 | -33.8 | 0 | 0 | 0 | 113.2 | Y784 G786 | P780-Y784 HydrophobicContact CB-CD1 3.37Å; P780-Y784 HydrophobicContact CB-CE1 3.98Å; P780-Y784 HydrophobicContact CB-CG 3.99Å; P780-Y784 HydrophobicContact CG-CD1 3.54Å; P780-Y784 HydrophobicContact CG-CE1 3.61Å; P780-G786 CarbonylContact C-O 3.1Å; P780-G786 VanDerWaalsContact CA-O 3.3Å; P780-G786 WeakPolarHBondContact CA-O 3.21Å |
| 781 | C | 71.2 | Confident | 68.4 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 177.2 | -179.8 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | M729 N783 Y784 R785 G786 Y787 C794 | M729-C781 HydrophobicContact CB-CB 4.1Å; C781-N783 VanDerWaalsContact C-N 3.29Å; C781-N783 PolarHBondContact O-N 2.9Å; C781-Y784 CarbonylContact O-C 3.6Å; C781-Y784 WeakPolarHBondContact O-CA 3.16Å; C781-Y784 PolarHBondContact O-N 3.41Å; C781-R785 PolarHBondContact O-N 3.25Å; C781-R785 VanDerWaalsContact O-N 3.1Å; C781-G786 PolarHBondContact N-O 2.78Å; C781-G786 PolarHBondContact O-N 3.39Å; C781-G786 PolarHBondContact SG-O 3.28Å; C781-Y787 VanDerWaalsContact SG-CA 3.55Å; C781-Y787 PolarHBondContact SG-N 2.83Å; C781-Y787 VanDerWaalsContact SG-N 3.38Å; C781-C794 HydrophobicContact CB-CB 3.78Å; C781-C794 WeakPolarHBondContact CB-SG 3.48Å; C781-C794 WeakPolarHBondContact SG-CA 3.25Å; C781-C794 WeakPolarHBondContact SG-CB 3.48Å; C781-C794 CovalentContact SG-SG 2.03Å; C781-C794 PolarHBondContact SG-SG 3.13Å |
| 782 | D | 74.7 | Confident | 68 | Low | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 46.7 | -171.9 | -168 | 32.9 | 0 | 0 | 0 | 113.2 | F718 T719 R720 M729 R785 L796 | F718-D782 WeakPolarHBondContact O-CA 3.48Å; T719-D782 WeakPolarHBondContact CA-OD1 3.39Å; R720-D782 PolarHBondContact N-OD1 2.86Å; M729-D782 HydrophobicContact SD-CB 4.34Å; D782-R785 HydrophobicContact CB-CB 4.22Å; D782-R785 WeakPolarHBondContact O-CB 3.29Å; D782-R785 WeakPolarHBondContact O-CD 3.35Å; D782-R785 VanDerWaalsContact O-CG 3.22Å; D782-R785 WeakPolarHBondContact O-CG 3.43Å; D782-R785 PolarHBondContact O-N 2.99Å; D782-L796 HydrophobicContact CB-CD2 3.49Å; D782-L796 VanDerWaalsContact CB-CD2 3.49Å; D782-L796 WeakPolarHBondContact OD2-CD2 3.38Å |
| 783 | N | 70.1 | Confident | 67.7 | Low | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 56.9 | -169.8 | 179.5 | 48.9 | 0 | 0 | 0 | 112.5 | I532 S717 T719 C781 R785 | I532-N783 HydrophobicContact CG2-CB 4.13Å; S717-N783 WeakPolarHBondContact OG-CA 3.21Å; S717-N783 PolarHBondContact OG-N 3.33Å; T719-N783 HydrophobicContact CG2-CB 4.17Å; C781-N783 VanDerWaalsContact C-N 3.29Å; C781-N783 PolarHBondContact O-N 2.9Å; N783-R785 PolarHBondContact O-N 2.92Å |
| 784 | Y | 65.5 | Low | 67.2 | Low | 30 Ų | 30 | 39.4 Ų | 39.4 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 3.7 | -177.6 | -53 | -100.6 | 0 | 0 | 0 | 115.4 | S544 K550 P780 C781 G786 | S544-Y784 WeakPolarHBondContact CB-O 3.14Å; K550-Y784 WeakPolarHBondContact CE-OH 3.34Å; P780-Y784 HydrophobicContact CB-CD1 3.37Å; P780-Y784 HydrophobicContact CB-CE1 3.98Å; P780-Y784 HydrophobicContact CB-CG 3.99Å; P780-Y784 HydrophobicContact CG-CD1 3.54Å; P780-Y784 HydrophobicContact CG-CE1 3.61Å; C781-Y784 CarbonylContact O-C 3.6Å; C781-Y784 WeakPolarHBondContact O-CA 3.16Å; C781-Y784 PolarHBondContact O-N 3.41Å; Y784-G786 PolarHBondContact O-N 2.84Å |
| 785 | R | 67.2 | Low | 66.8 | Low | 145 Ų | 145 | 35.2 Ų | 35.2 | 55% | 0.547 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 13.5 | 174.6 | -59.2 | 172.5 | 163.1 | -168.8 | -7.6 | 113.3 | C781 D782 N783 L796 V797 | C781-R785 PolarHBondContact O-N 3.25Å; C781-R785 VanDerWaalsContact O-N 3.1Å; D782-R785 HydrophobicContact CB-CB 4.22Å; D782-R785 WeakPolarHBondContact O-CB 3.29Å; D782-R785 WeakPolarHBondContact O-CD 3.35Å; D782-R785 VanDerWaalsContact O-CG 3.22Å; D782-R785 WeakPolarHBondContact O-CG 3.43Å; D782-R785 PolarHBondContact O-N 2.99Å; N783-R785 PolarHBondContact O-N 2.92Å; R785-L796 CarbonylContact O-C 3.03Å; R785-L796 WeakPolarHBondContact O-CA 3.01Å; R785-V797 PolarHBondContact O-N 2.93Å |
| 786 | G | 65.9 | Low | 66.5 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 174.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | P780 C781 Y784 L795 | P780-G786 CarbonylContact C-O 3.1Å; P780-G786 VanDerWaalsContact CA-O 3.3Å; P780-G786 WeakPolarHBondContact CA-O 3.21Å; C781-G786 PolarHBondContact N-O 2.78Å; C781-G786 PolarHBondContact O-N 3.39Å; C781-G786 PolarHBondContact SG-O 3.28Å; Y784-G786 PolarHBondContact O-N 2.84Å; G786-L795 CarbonylContact C-O 3.59Å; G786-L795 WeakPolarHBondContact CA-O 3.48Å |
| 787 | Y | 62.9 | Low | 66.7 | Low | 20 Ų | 20 | 33.1 Ų | 33.1 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.4 | 172.9 | -37.2 | -61.9 | 0 | 0 | 0 | 112.2 | F197 A545 A779 C781 D789 C794 L795 V797 | F197-Y787 WeakPolarHBondContact CB-OH 3.49Å; A545-Y787 HydrophobicContact CB-CD1 4.37Å; A545-Y787 HydrophobicContact CB-CE1 3.37Å; A545-Y787 WeakPolarHBondContact CB-OH 3.46Å; A545-Y787 PolarHBondContact N-OH 3.06Å; A779-Y787 VanDerWaalsContact O-CA 3.28Å; A779-Y787 WeakPolarHBondContact O-CA 3.37Å; C781-Y787 VanDerWaalsContact SG-CA 3.55Å; C781-Y787 PolarHBondContact SG-N 2.83Å; C781-Y787 VanDerWaalsContact SG-N 3.38Å; Y787-D789 PolarHBondContact O-N 2.71Å; Y787-C794 WeakPolarHBondContact O-CA 3.33Å; Y787-L795 PolarHBondContact N-O 3.01Å; Y787-L795 PolarHBondContact O-N 2.84Å; Y787-V797 HydrophobicContact CD2-CG2 4.16Å; Y787-V797 HydrophobicContact CE1-CG2 4.31Å; Y787-V797 HydrophobicContact CE2-CG2 3.36Å; Y787-V797 VanDerWaalsContact CZ-CG2 3.41Å; Y787-V797 VanDerWaalsContact OH-CG2 3.23Å; Y787-V797 WeakPolarHBondContact OH-CG2 3.42Å |
| 788 | C | 66.5 | Low | 66.7 | Low | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123.3 | 170.4 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | C730 P777 G778 A779 R793 | C730-C788 WeakPolarHBondContact CA-SG 3.4Å; C730-C788 HydrophobicContact CB-CB 3.79Å; C730-C788 WeakPolarHBondContact CB-SG 3.28Å; C730-C788 WeakPolarHBondContact SG-CA 3.31Å; C730-C788 WeakPolarHBondContact SG-CB 3.49Å; C730-C788 CovalentContact SG-SG 2.03Å; C730-C788 PolarHBondContact SG-SG 2.82Å; P777-C788 CarbonylContact C-O 3.42Å; P777-C788 VanDerWaalsContact CA-O 3.23Å; P777-C788 WeakPolarHBondContact CA-O 3.34Å; G778-C788 PolarHBondContact N-O 2.91Å; A779-C788 PolarHBondContact O-N 2.98Å; C788-R793 CarbonylContact C-O 3.54Å; C788-R793 WeakPolarHBondContact CA-O 3.46Å |
| 789 | D | 66.3 | Low | 66.8 | Low | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | trans | -77.5 | 178.3 | 172.1 | 91.4 | -34.9 | 0 | 0 | 0 | 111.8 | Y787 S791 M792 R793 L795 | Y787-D789 PolarHBondContact O-N 2.71Å; D789-S791 PolarHBondContact O-N 2.9Å; D789-S791 WeakPolarHBondContact OD1-CA 3.5Å; D789-S791 WeakPolarHBondContact OD1-CB 3.43Å; D789-S791 PolarHBondContact OD1-N 3.08Å; D789-S791 WeakPolarHBondContact OD2-CB 3.46Å; D789-S791 PolarHBondContact OD2-N 3.06Å; D789-S791 PolarHBondContact OD2-OG 3.37Å; D789-M792 PolarHBondContact O-N 3.41Å; D789-M792 PolarHBondContact OD1-N 3.22Å; D789-M792 VanDerWaalsContact OD1-N 3.11Å; D789-R793 PolarHBondContact N-O 2.97Å; D789-R793 WeakPolarHBondContact OD1-CA 3.49Å; D789-R793 WeakPolarHBondContact OD1-CB 3.47Å; D789-R793 PolarHBondContact OD1-N 2.83Å; D789-L795 HydrophobicContact CB-CD1 3.66Å; D789-L795 HydrophobicContact CB-CG 4.13Å | ||
| 790 | V | 64.2 | Low | 66.5 | Low | 43 Ų | 43 | 36.1 Ų | 36.1 | 26% | 0.261 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.2 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | M186 P777 M792 | M186-V790 HydrophobicContact SD-CG2 3.76Å; P777-V790 HydrophobicContact CB-CG1 4.09Å; P777-V790 HydrophobicContact CG-CG1 4.41Å; V790-M792 VanDerWaalsContact C-N 3.28Å |
| 791 | S | 70.9 | Confident | 66 | Low | 73 Ų | 73 | 34.8 Ų | 34.8 | 51% | 0.51 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.4 | 171.6 | -33.7 | 0 | 0 | 0 | 0 | 112.5 | D789 R793 | D789-S791 PolarHBondContact O-N 2.9Å; D789-S791 WeakPolarHBondContact OD1-CA 3.5Å; D789-S791 WeakPolarHBondContact OD1-CB 3.43Å; D789-S791 PolarHBondContact OD1-N 3.08Å; D789-S791 WeakPolarHBondContact OD2-CB 3.46Å; D789-S791 PolarHBondContact OD2-N 3.06Å; D789-S791 PolarHBondContact OD2-OG 3.37Å; S791-R793 VanDerWaalsContact C-N 3.29Å; S791-R793 PolarHBondContact O-N 3.15Å |
| 792 | M | 76.1 | Confident | 64.9 | Low | 30 Ų | 30 | 36.8 Ų | 36.8 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 65.6 | 19.6 | -172.8 | -56.3 | -64.3 | -53.4 | 0 | 0 | 114.7 | E727 C730 F731 K774 L775 D789 V790 | E727-M792 WeakPolarHBondContact CA-O 3.31Å; C730-M792 HydrophobicContact CB-CB 4.46Å; C730-M792 HydrophobicContact CB-CE 3.89Å; C730-M792 WeakPolarHBondContact CB-O 3.18Å; C730-M792 WeakPolarHBondContact O-CE 3.19Å; C730-M792 PolarHBondContact SG-O 3.09Å; F731-M792 HydrophobicContact CE2-CE 4.46Å; K774-M792 HydrophobicContact CB-CE 3.7Å; K774-M792 HydrophobicContact CD-CE 3.98Å; K774-M792 HydrophobicContact CD-SD 4.14Å; K774-M792 HydrophobicContact CG-CE 3.83Å; L775-M792 WeakPolarHBondContact O-CE 3.27Å; D789-M792 PolarHBondContact O-N 3.41Å; D789-M792 PolarHBondContact OD1-N 3.22Å; D789-M792 VanDerWaalsContact OD1-N 3.11Å; V790-M792 VanDerWaalsContact C-N 3.28Å |
| 793 | R | 77 | Confident | 63.5 | Low | 126 Ų | 126 | 39 Ų | 39 | 48% | 0.475 | 19% | 0.194 | S | C | . | . | trans | -97.4 | 133.6 | -179.5 | -70.3 | 179.7 | 159.2 | -166.8 | -11.9 | 112.1 | P726 E727 C788 D789 S791 L795 | P726-R793 HydrophobicContact CB-CB 4.36Å; E727-R793 HydrophobicContact CG-CG 3.9Å; E727-R793 IonicContact OE1-CZ 3.25Å; E727-R793 IonicContact OE1-NE 2.76Å; E727-R793 PolarHBondContact OE1-NE 3.17Å; E727-R793 IonicContact OE1-NH2 2.73Å; E727-R793 PolarHBondContact OE1-NH2 3.24Å; C788-R793 CarbonylContact C-O 3.54Å; C788-R793 WeakPolarHBondContact CA-O 3.46Å; D789-R793 PolarHBondContact N-O 2.97Å; D789-R793 WeakPolarHBondContact OD1-CA 3.49Å; D789-R793 WeakPolarHBondContact OD1-CB 3.47Å; D789-R793 PolarHBondContact OD1-N 2.83Å; S791-R793 VanDerWaalsContact C-N 3.29Å; S791-R793 PolarHBondContact O-N 3.15Å; R793-L795 PolarHBondContact O-N 3.48Å | ||
| 794 | C | 74.6 | Confident | 62.6 | Low | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.3 | 170.2 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | R720 P726 M729 C781 Y787 | R720-C794 PolarHBondContact NH2-O 3.33Å; P726-C794 WeakPolarHBondContact O-CB 3.47Å; P726-C794 PolarHBondContact O-N 3.34Å; M729-C794 HydrophobicContact CB-CB 3.83Å; M729-C794 HydrophobicContact CG-CB 4.23Å; M729-C794 HydrophobicContact SD-CB 3.48Å; M729-C794 WeakPolarHBondContact SD-CB 3.15Å; C781-C794 HydrophobicContact CB-CB 3.78Å; C781-C794 WeakPolarHBondContact CB-SG 3.48Å; C781-C794 WeakPolarHBondContact SG-CA 3.25Å; C781-C794 WeakPolarHBondContact SG-CB 3.48Å; C781-C794 CovalentContact SG-SG 2.03Å; C781-C794 PolarHBondContact SG-SG 3.13Å; Y787-C794 WeakPolarHBondContact O-CA 3.33Å |
| 795 | L | 71.9 | Confident | 61.9 | Low | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.225 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.9 | 176.5 | -61.2 | -179.8 | 0 | 0 | 0 | 109.8 | L195 G786 Y787 D789 R793 | L195-L795 HydrophobicContact CD1-CB 4.07Å; L195-L795 HydrophobicContact CD1-CD1 4.19Å; L195-L795 HydrophobicContact CD2-CB 3.6Å; L195-L795 HydrophobicContact CD2-CD1 3.65Å; L195-L795 HydrophobicContact CD2-CG 4.29Å; L195-L795 HydrophobicContact CG-CB 4.39Å; G786-L795 CarbonylContact C-O 3.59Å; G786-L795 WeakPolarHBondContact CA-O 3.48Å; Y787-L795 PolarHBondContact N-O 3.01Å; Y787-L795 PolarHBondContact O-N 2.84Å; D789-L795 HydrophobicContact CB-CD1 3.66Å; D789-L795 HydrophobicContact CB-CG 4.13Å; R793-L795 PolarHBondContact O-N 3.48Å |
| 796 | L | 67 | Low | 61.7 | Low | 48 Ų | 48 | 40 Ų | 40 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 149.5 | -168 | -59.4 | -169.7 | 0 | 0 | 0 | 114.9 | L195 D782 R785 | L195-L796 PolarHBondContact N-O 3.14Å; L195-L796 VanDerWaalsContact N-O 3.08Å; D782-L796 HydrophobicContact CB-CD2 3.49Å; D782-L796 VanDerWaalsContact CB-CD2 3.49Å; D782-L796 WeakPolarHBondContact OD2-CD2 3.38Å; R785-L796 CarbonylContact O-C 3.03Å; R785-L796 WeakPolarHBondContact O-CA 3.01Å |
| 797 | V | 60.6 | Low | 61.6 | Low | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | trans | -112.7 | 89.2 | -177.9 | -178.3 | 0 | 0 | 0 | 0 | 108 | L195 F197 S544 R785 Y787 | L195-V797 WeakPolarHBondContact O-CA 3.28Å; L195-V797 VanDerWaalsContact O-CB 3.3Å; L195-V797 WeakPolarHBondContact O-CB 3.25Å; L195-V797 WeakPolarHBondContact O-CG1 3.37Å; L195-V797 WeakPolarHBondContact O-CG2 3.18Å; F197-V797 HydrophobicContact CB-CG1 4.06Å; S544-V797 VanDerWaalsContact OG-CG1 3.24Å; S544-V797 WeakPolarHBondContact OG-CG1 3.49Å; R785-V797 PolarHBondContact O-N 2.93Å; Y787-V797 HydrophobicContact CD2-CG2 4.16Å; Y787-V797 HydrophobicContact CE1-CG2 4.31Å; Y787-V797 HydrophobicContact CE2-CG2 3.36Å; Y787-V797 VanDerWaalsContact CZ-CG2 3.41Å; Y787-V797 VanDerWaalsContact OH-CG2 3.23Å; Y787-V797 WeakPolarHBondContact OH-CG2 3.42Å | ||
| 798 | D | 54.8 | Low | 61.5 | Low | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | trans | -98.3 | 99.4 | 170.3 | -169.8 | -10.7 | 0 | 0 | 0 | 109.5 | K196 E800 R805 | K196-D798 WeakPolarHBondContact CE-O 3.4Å; K196-D798 WeakPolarHBondContact CG-O 3.35Å; K196-D798 PolarHBondContact NZ-O 3.4Å; D798-E800 PolarHBondContact O-N 3.47Å; D798-E800 WeakPolarHBondContact OD1-CB 3.18Å; D798-E800 PolarHBondContact OD1-N 3.48Å; D798-R805 VanDerWaalsContact CG-NH2 3.32Å; D798-R805 IonicContact OD2-CZ 2.7Å; D798-R805 IonicContact OD2-NE 3.07Å; D798-R805 PolarHBondContact OD2-NE 3.25Å; D798-R805 IonicContact OD2-NH2 3.21Å; D798-R805 PolarHBondContact OD2-NH2 2.83Å | ||
| 799 | A | 53.3 | Low | 61.3 | Low | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | trans | -65.9 | -17.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C198 F520 A543 G801 | C198-A799 WeakPolarHBondContact O-CB 3.46Å; F520-A799 HydrophobicContact CZ-CB 4.24Å; A543-A799 HydrophobicContact CB-CB 3.8Å; A799-G801 PolarHBondContact O-N 3.34Å | ||
| 800 | E | 53.8 | Low | 61.4 | Low | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -66.7 | 134.4 | 178.3 | -79.4 | -156.4 | -155.9 | 0 | 0 | 112.3 | K196 F520 D798 S804 R805 N808 | K196-E800 PolarHBondContact NZ-O 3.14Å; F520-E800 HydrophobicContact CE1-CG 4.05Å; D798-E800 PolarHBondContact O-N 3.47Å; D798-E800 WeakPolarHBondContact OD1-CB 3.18Å; D798-E800 PolarHBondContact OD1-N 3.48Å; E800-S804 WeakPolarHBondContact CB-OG 3.33Å; E800-S804 WeakPolarHBondContact OE2-CB 3.5Å; E800-S804 PolarHBondContact OE2-OG 3.4Å; E800-R805 HydrophobicContact CB-CG 4.5Å; E800-R805 PolarHBondContact OE2-N 2.86Å; E800-N808 PolarHBondContact OE2-ND2 3.3Å |
| 801 | G | 50.8 | Low | 61.5 | Low | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -67.1 | 142.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A799 L803 S804 R805 | A799-G801 PolarHBondContact O-N 3.34Å; G801-L803 PolarHBondContact O-N 2.8Å; G801-S804 PolarHBondContact O-N 3.12Å; G801-S804 PolarHBondContact O-OG 2.68Å; G801-R805 PolarHBondContact O-N 3.13Å | ||
| 802 | P | 49.3 | Very low | 61.3 | Low | 42 Ų | 42 | 62.1 Ų | 62.1 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -7.4 | -178.8 | -24.9 | 32 | 0 | 0 | 0 | 116.1 | P203 L806 | P203-P802 HydrophobicContact CB-CB 3.87Å; P203-P802 HydrophobicContact CB-CG 4.32Å; P203-P802 HydrophobicContact CG-CB 4.09Å; P203-P802 HydrophobicContact CG-CG 4.36Å; P802-L806 WeakPolarHBondContact O-CB 3.35Å; P802-L806 PolarHBondContact O-N 3.03Å |
| 803 | L | 45.2 | Very low | 60.9 | Low | 53 Ų | 53 | 65.2 Ų | 65.2 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.2 | -36.3 | 171.8 | -157.1 | 95.5 | 0 | 0 | 0 | 112.5 | P203 Q207 G801 L806 R807 | P203-L803 HydrophobicContact CB-CB 3.83Å; P203-L803 HydrophobicContact CB-CD1 4.48Å; P203-L803 VanDerWaalsContact CB-N 3.29Å; Q207-L803 HydrophobicContact CB-CD2 3.84Å; Q207-L803 HydrophobicContact CG-CD2 3.66Å; G801-L803 PolarHBondContact O-N 2.8Å; L803-L806 PolarHBondContact O-N 2.7Å; L803-R807 VanDerWaalsContact O-CB 3.25Å; L803-R807 WeakPolarHBondContact O-CB 3.46Å; L803-R807 PolarHBondContact O-N 3Å |
| 804 | S | 50.1 | Low | 60.5 | Low | 36 Ų | 36 | 65.7 Ų | 65.7 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | 172.5 | 56.5 | 0 | 0 | 0 | 0 | 110 | E800 G801 L806 R807 N808 | E800-S804 WeakPolarHBondContact CB-OG 3.33Å; E800-S804 WeakPolarHBondContact OE2-CB 3.5Å; E800-S804 PolarHBondContact OE2-OG 3.4Å; G801-S804 PolarHBondContact O-N 3.12Å; G801-S804 PolarHBondContact O-OG 2.68Å; S804-L806 PolarHBondContact O-N 3.15Å; S804-R807 PolarHBondContact O-N 3.13Å; S804-N808 VanDerWaalsContact O-CB 3.26Å; S804-N808 WeakPolarHBondContact O-CB 3.42Å; S804-N808 PolarHBondContact O-N 3.11Å; S804-N808 PolarHBondContact O-ND2 2.65Å |
| 805 | R | 52.6 | Low | 60.3 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -48.8 | -53.5 | 164.6 | -68.1 | -178.7 | 170.9 | 166.3 | -9.7 | 111.4 | D194 D798 E800 G801 N808 L809 | D194-R805 IonicContact OD1-NH2 2.92Å; D194-R805 IonicContact OD2-CZ 3.65Å; D194-R805 VanDerWaalsContact OD2-CZ 3.28Å; D194-R805 IonicContact OD2-NH1 2.7Å; D194-R805 PolarHBondContact OD2-NH1 3.28Å; D194-R805 IonicContact OD2-NH2 2.84Å; D194-R805 PolarHBondContact OD2-NH2 2.64Å; D798-R805 VanDerWaalsContact CG-NH2 3.32Å; D798-R805 IonicContact OD2-CZ 2.7Å; D798-R805 IonicContact OD2-NE 3.07Å; D798-R805 PolarHBondContact OD2-NE 3.25Å; D798-R805 IonicContact OD2-NH2 3.21Å; D798-R805 PolarHBondContact OD2-NH2 2.83Å; E800-R805 HydrophobicContact CB-CG 4.5Å; E800-R805 PolarHBondContact OE2-N 2.86Å; G801-R805 PolarHBondContact O-N 3.13Å; R805-N808 PolarHBondContact O-N 2.88Å; R805-L809 WeakPolarHBondContact O-CB 3.37Å; R805-L809 WeakPolarHBondContact O-CD1 3.41Å; R805-L809 VanDerWaalsContact O-CG 3.28Å; R805-L809 WeakPolarHBondContact O-CG 3.47Å; R805-L809 PolarHBondContact O-N 3.2Å |
| 806 | L | 61.7 | Low | 60.5 | Low | 101 Ų | 101 | 71.7 Ų | 71.7 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 179.5 | -177 | 66.2 | 0 | 0 | 0 | 112.6 | P802 L803 S804 N808 L809 V810 | P802-L806 WeakPolarHBondContact O-CB 3.35Å; P802-L806 PolarHBondContact O-N 3.03Å; L803-L806 PolarHBondContact O-N 2.7Å; S804-L806 PolarHBondContact O-N 3.15Å; L806-N808 VanDerWaalsContact C-N 3.35Å; L806-N808 PolarHBondContact O-N 2.68Å; L806-L809 PolarHBondContact O-N 2.96Å; L806-V810 HydrophobicContact CD1-CG2 3.75Å; L806-V810 HydrophobicContact CG-CG2 4.27Å; L806-V810 WeakPolarHBondContact O-CB 3.42Å; L806-V810 WeakPolarHBondContact O-CG2 3.43Å; L806-V810 PolarHBondContact O-N 3.42Å |
| 807 | R | 63.5 | Low | 61 | Low | 177 Ų | 177 | 75.5 Ų | 75.5 | 67% | 0.668 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 177.5 | -178.2 | -177.8 | 178.2 | -173.3 | -1.4 | 111.3 | L803 S804 F811 | L803-R807 VanDerWaalsContact O-CB 3.25Å; L803-R807 WeakPolarHBondContact O-CB 3.46Å; L803-R807 PolarHBondContact O-N 3Å; S804-R807 PolarHBondContact O-N 3.13Å; R807-F811 HydrophobicContact CG-CD2 4.38Å; R807-F811 WeakPolarHBondContact O-CA 3.45Å; R807-F811 WeakPolarHBondContact O-CB 3.38Å; R807-F811 PolarHBondContact O-N 2.84Å |
| 808 | N | 60.7 | Low | 61.8 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.3 | -38 | 179.9 | -65.5 | -15.3 | 0 | 0 | 0 | 110.8 | E800 S804 R805 L806 S812 | E800-N808 PolarHBondContact OE2-ND2 3.3Å; S804-N808 VanDerWaalsContact O-CB 3.26Å; S804-N808 WeakPolarHBondContact O-CB 3.42Å; S804-N808 PolarHBondContact O-N 3.11Å; S804-N808 PolarHBondContact O-ND2 2.65Å; R805-N808 PolarHBondContact O-N 2.88Å; L806-N808 VanDerWaalsContact C-N 3.35Å; L806-N808 PolarHBondContact O-N 2.68Å; N808-S812 WeakPolarHBondContact O-CA 3.49Å; N808-S812 WeakPolarHBondContact O-CB 3.22Å; N808-S812 PolarHBondContact O-N 2.88Å; N808-S812 VanDerWaalsContact O-N 3.07Å; N808-S812 PolarHBondContact O-OG 2.71Å |
| 809 | L | 63.3 | Low | 63 | Low | 120 Ų | 120 | 82.5 Ų | 82.5 | 63% | 0.628 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.7 | -49.1 | 173.1 | -76.9 | 164 | 0 | 0 | 0 | 112.8 | R805 L806 | R805-L809 WeakPolarHBondContact O-CB 3.37Å; R805-L809 WeakPolarHBondContact O-CD1 3.41Å; R805-L809 VanDerWaalsContact O-CG 3.28Å; R805-L809 WeakPolarHBondContact O-CG 3.47Å; R805-L809 PolarHBondContact O-N 3.2Å; L806-L809 PolarHBondContact O-N 2.96Å |
| 810 | V | 67.7 | Low | 64.2 | Low | 74 Ų | 74 | 85.9 Ų | 85.9 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -81.8 | -35 | -173.4 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | L806 | L806-V810 HydrophobicContact CD1-CG2 3.75Å; L806-V810 HydrophobicContact CG-CG2 4.27Å; L806-V810 WeakPolarHBondContact O-CB 3.42Å; L806-V810 WeakPolarHBondContact O-CG2 3.43Å; L806-V810 PolarHBondContact O-N 3.42Å |
| 811 | F | 66.1 | Low | 65.6 | Low | 130 Ų | 130 | 87 Ų | 87 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -121.1 | 20 | -172.8 | -55.4 | -75.4 | 0 | 0 | 0 | 114.2 | R807 L816 | R807-F811 HydrophobicContact CG-CD2 4.38Å; R807-F811 WeakPolarHBondContact O-CA 3.45Å; R807-F811 WeakPolarHBondContact O-CB 3.38Å; R807-F811 PolarHBondContact O-N 2.84Å; F811-L816 HydrophobicContact CB-CD1 4.44Å |
| 812 | S | 66.3 | Low | 67.3 | Low | 31 Ų | 31 | 92.3 Ų | 92.3 | 22% | 0.217 | 47% | 0.465 | C | S | . | . | trans | -56.1 | 140.2 | 169.3 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | N808 Q814 M815 L816 | N808-S812 WeakPolarHBondContact O-CA 3.49Å; N808-S812 WeakPolarHBondContact O-CB 3.22Å; N808-S812 PolarHBondContact O-N 2.88Å; N808-S812 VanDerWaalsContact O-N 3.07Å; N808-S812 PolarHBondContact O-OG 2.71Å; S812-Q814 PolarHBondContact O-N 3.23Å; S812-Q814 VanDerWaalsContact O-N 3.13Å; S812-M815 PolarHBondContact O-N 3.17Å; S812-M815 WeakPolarHBondContact OG-CB 3.37Å; S812-M815 VanDerWaalsContact OG-CG 3.28Å; S812-M815 WeakPolarHBondContact OG-CG 3.5Å; S812-M815 PolarHBondContact OG-N 3.38Å; S812-L816 PolarHBondContact O-N 3.23Å | ||
| 813 | P | 67.8 | Low | 69.1 | Low | 96 Ų | 96 | 93.9 Ų | 93.9 | 62% | 0.623 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.4 | -29.3 | 178.8 | 23.3 | -33.1 | 0 | 0 | 0 | 111.8 | Q817 | P813-Q817 WeakPolarHBondContact O-CB 3.41Å; P813-Q817 VanDerWaalsContact O-CG 3.28Å; P813-Q817 WeakPolarHBondContact O-CG 3.45Å; P813-Q817 PolarHBondContact O-N 3.37Å |
| 814 | Q | 69.4 | Low | 71 | Confident | 136 Ų | 136 | 96.2 Ų | 96.2 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.8 | -42.9 | 174.2 | -60.2 | -174.9 | 13 | 0 | 0 | 113 | S812 K818 | S812-Q814 PolarHBondContact O-N 3.23Å; S812-Q814 VanDerWaalsContact O-N 3.13Å; Q814-K818 WeakPolarHBondContact O-CB 3.2Å; Q814-K818 WeakPolarHBondContact O-CG 3.36Å; Q814-K818 PolarHBondContact O-N 3.19Å |
| 815 | M | 71.5 | Confident | 72.8 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 174.1 | -76.7 | -68.9 | -83.9 | 0 | 0 | 111.1 | S812 Q817 K818 V819 | S812-M815 PolarHBondContact O-N 3.17Å; S812-M815 WeakPolarHBondContact OG-CB 3.37Å; S812-M815 VanDerWaalsContact OG-CG 3.28Å; S812-M815 WeakPolarHBondContact OG-CG 3.5Å; S812-M815 PolarHBondContact OG-N 3.38Å; M815-Q817 VanDerWaalsContact C-N 3.32Å; M815-Q817 PolarHBondContact O-N 2.9Å; M815-K818 PolarHBondContact O-N 3.11Å; M815-V819 WeakPolarHBondContact O-CB 3.4Å; M815-V819 VanDerWaalsContact O-CG2 3.27Å; M815-V819 WeakPolarHBondContact O-CG2 3.46Å; M815-V819 PolarHBondContact O-N 2.89Å |
| 816 | L | 75.1 | Confident | 74.5 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 176.1 | -67.1 | 173.7 | 0 | 0 | 0 | 112.2 | F811 S812 T820 | F811-L816 HydrophobicContact CB-CD1 4.44Å; S812-L816 PolarHBondContact O-N 3.23Å; L816-T820 WeakPolarHBondContact O-CB 3.31Å; L816-T820 WeakPolarHBondContact O-CG2 3.41Å; L816-T820 PolarHBondContact O-N 2.94Å; L816-T820 PolarHBondContact O-OG1 3.38Å |
| 817 | Q | 76.6 | Confident | 75.9 | Confident | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -48.2 | 170.7 | -78.3 | 175.6 | -11.4 | 0 | 0 | 112 | P813 M815 V819 T820 T821 | P813-Q817 WeakPolarHBondContact O-CB 3.41Å; P813-Q817 VanDerWaalsContact O-CG 3.28Å; P813-Q817 WeakPolarHBondContact O-CG 3.45Å; P813-Q817 PolarHBondContact O-N 3.37Å; M815-Q817 VanDerWaalsContact C-N 3.32Å; M815-Q817 PolarHBondContact O-N 2.9Å; Q817-V819 PolarHBondContact O-N 2.92Å; Q817-T820 WeakPolarHBondContact CA-OG1 3.4Å; Q817-T820 PolarHBondContact O-N 3.2Å; Q817-T820 PolarHBondContact O-OG1 3.34Å; Q817-T820 VanDerWaalsContact O-OG1 3.09Å; Q817-T821 WeakPolarHBondContact O-CB 3.47Å; Q817-T821 PolarHBondContact O-N 3.48Å; Q817-T821 PolarHBondContact O-OG1 3.11Å |
| 818 | K | 77.4 | Confident | 77.2 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 176.7 | -76 | 174.7 | 179.3 | 175.3 | 0 | 112.4 | Q814 M815 W822 | Q814-K818 WeakPolarHBondContact O-CB 3.2Å; Q814-K818 WeakPolarHBondContact O-CG 3.36Å; Q814-K818 PolarHBondContact O-N 3.19Å; M815-K818 PolarHBondContact O-N 3.11Å; K818-W822 VanDerWaalsContact O-CB 3.29Å; K818-W822 WeakPolarHBondContact O-CB 3.41Å; K818-W822 PolarHBondContact O-N 3.14Å |
| 819 | V | 79.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.418 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | M815 Q817 W822 I823 | M815-V819 WeakPolarHBondContact O-CB 3.4Å; M815-V819 VanDerWaalsContact O-CG2 3.27Å; M815-V819 WeakPolarHBondContact O-CG2 3.46Å; M815-V819 PolarHBondContact O-N 2.89Å; Q817-V819 PolarHBondContact O-N 2.92Å; V819-W822 PolarHBondContact O-N 3.07Å; V819-I823 HydrophobicContact CG1-CD1 3.74Å; V819-I823 HydrophobicContact CG1-CG1 4.41Å; V819-I823 WeakPolarHBondContact O-CB 3.42Å; V819-I823 VanDerWaalsContact O-CG1 3.24Å; V819-I823 WeakPolarHBondContact O-CG1 3.3Å; V819-I823 PolarHBondContact O-N 2.82Å |
| 820 | T | 79.2 | Confident | 79.8 | Confident | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.5 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | L816 Q817 I823 T824 | L816-T820 WeakPolarHBondContact O-CB 3.31Å; L816-T820 WeakPolarHBondContact O-CG2 3.41Å; L816-T820 PolarHBondContact O-N 2.94Å; L816-T820 PolarHBondContact O-OG1 3.38Å; Q817-T820 WeakPolarHBondContact CA-OG1 3.4Å; Q817-T820 PolarHBondContact O-N 3.2Å; Q817-T820 PolarHBondContact O-OG1 3.34Å; Q817-T820 VanDerWaalsContact O-OG1 3.09Å; T820-I823 PolarHBondContact O-N 2.84Å; T820-T824 WeakPolarHBondContact O-CG2 3.36Å; T820-T824 PolarHBondContact O-N 2.83Å; T820-T824 PolarHBondContact O-OG1 2.8Å |
| 821 | T | 83.3 | Confident | 80.8 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 172.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | Q817 I823 T824 I825 | Q817-T821 WeakPolarHBondContact O-CB 3.47Å; Q817-T821 PolarHBondContact O-N 3.48Å; Q817-T821 PolarHBondContact O-OG1 3.11Å; T821-I823 PolarHBondContact O-N 2.84Å; T821-T824 WeakPolarHBondContact CA-OG1 3.32Å; T821-T824 PolarHBondContact O-N 2.88Å; T821-T824 VanDerWaalsContact O-N 3.15Å; T821-T824 PolarHBondContact O-OG1 2.65Å; T821-I825 HydrophobicContact CG2-CD1 3.86Å; T821-I825 WeakPolarHBondContact O-CG1 3.47Å; T821-I825 PolarHBondContact O-N 3.2Å; T821-I825 VanDerWaalsContact O-N 3.07Å |
| 822 | W | 87.2 | Confident | 82.1 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.4 | -175.5 | 88.6 | 0 | 0 | 0 | 112.1 | K818 V819 T824 I825 H826 A829 V830 I833 | K818-W822 VanDerWaalsContact O-CB 3.29Å; K818-W822 WeakPolarHBondContact O-CB 3.41Å; K818-W822 PolarHBondContact O-N 3.14Å; V819-W822 PolarHBondContact O-N 3.07Å; W822-T824 VanDerWaalsContact C-N 3.32Å; W822-T824 PolarHBondContact O-N 3.47Å; W822-I825 PolarHBondContact O-N 2.88Å; W822-H826 AromaticContact CD1-CD2 3.41Å; W822-H826 VanDerWaalsContact CD1-CD2 3.41Å; W822-H826 HydrophobicContact CD2-CB 4.25Å; W822-H826 AromaticContact CE2-CD2 3.83Å; W822-H826 AromaticContact CE2-CG 4Å; W822-H826 AromaticContact CG-CD2 3.97Å; W822-H826 HydrophobicContact CH2-CB 4.34Å; W822-H826 HydrophobicContact CZ2-CB 3.94Å; W822-H826 AromaticContact NE1-CD2 3.3Å; W822-H826 PolarHBondContact NE1-CD2 3.02Å; W822-H826 VanDerWaalsContact NE1-CD2 3.3Å; W822-H826 AromaticContact NE1-CG 3.85Å; W822-H826 AromaticContact NE1-NE2 3.9Å; W822-H826 WeakPolarHBondContact O-CB 3.43Å; W822-H826 PolarHBondContact O-N 2.86Å; W822-A829 HydrophobicContact CH2-CB 4.32Å; W822-V830 HydrophobicContact CH2-CG2 4.46Å; W822-V830 HydrophobicContact CZ3-CG2 3.82Å; W822-I833 HydrophobicContact CH2-CD1 4.48Å |
| 823 | I | 87.2 | Confident | 83.2 | Confident | 74 Ų | 74 | 94.4 Ų | 94.4 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.1 | -71.1 | 168 | 0 | 0 | 0 | 111.3 | V819 T820 T821 W827 V830 | V819-I823 HydrophobicContact CG1-CD1 3.74Å; V819-I823 HydrophobicContact CG1-CG1 4.41Å; V819-I823 WeakPolarHBondContact O-CB 3.42Å; V819-I823 VanDerWaalsContact O-CG1 3.24Å; V819-I823 WeakPolarHBondContact O-CG1 3.3Å; V819-I823 PolarHBondContact O-N 2.82Å; T820-I823 PolarHBondContact O-N 2.84Å; T821-I823 PolarHBondContact O-N 2.84Å; I823-W827 VanDerWaalsContact O-CA 3.28Å; I823-W827 WeakPolarHBondContact O-CA 3.4Å; I823-W827 WeakPolarHBondContact O-CB 3.44Å; I823-W827 PolarHBondContact O-N 2.03Å; I823-V830 HydrophobicContact CG1-CG2 4.24Å; I823-V830 HydrophobicContact CG2-CG2 4.5Å |
| 824 | T | 83.4 | Confident | 84.2 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 63% | 0.632 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.1 | -32.4 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | T820 T821 W822 | T820-T824 WeakPolarHBondContact O-CG2 3.36Å; T820-T824 PolarHBondContact O-N 2.83Å; T820-T824 PolarHBondContact O-OG1 2.8Å; T821-T824 WeakPolarHBondContact CA-OG1 3.32Å; T821-T824 PolarHBondContact O-N 2.88Å; T821-T824 VanDerWaalsContact O-N 3.15Å; T821-T824 PolarHBondContact O-OG1 2.65Å; W822-T824 VanDerWaalsContact C-N 3.32Å; W822-T824 PolarHBondContact O-N 3.47Å |
| 825 | I | 88.1 | Confident | 85.3 | Confident | 102 Ų | 102 | 90 Ų | 90 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -81.3 | -41.7 | 178.8 | -63.3 | 169.8 | 0 | 0 | 0 | 111.1 | T821 W822 | T821-I825 HydrophobicContact CG2-CD1 3.86Å; T821-I825 WeakPolarHBondContact O-CG1 3.47Å; T821-I825 PolarHBondContact O-N 3.2Å; T821-I825 VanDerWaalsContact O-N 3.07Å; W822-I825 PolarHBondContact O-N 2.88Å |
| 826 | H | 90.1 | Very high | 86.2 | Confident | 63 Ų | 63 | 88.6 Ų | 88.6 | 29% | 0.292 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -111.1 | 33.9 | -172.8 | -59.8 | -81 | 0 | 0 | 0 | 112.9 | W822 W828 A829 V830 | W822-H826 AromaticContact CD1-CD2 3.41Å; W822-H826 VanDerWaalsContact CD1-CD2 3.41Å; W822-H826 HydrophobicContact CD2-CB 4.25Å; W822-H826 AromaticContact CE2-CD2 3.83Å; W822-H826 AromaticContact CE2-CG 4Å; W822-H826 AromaticContact CG-CD2 3.97Å; W822-H826 HydrophobicContact CH2-CB 4.34Å; W822-H826 HydrophobicContact CZ2-CB 3.94Å; W822-H826 AromaticContact NE1-CD2 3.3Å; W822-H826 PolarHBondContact NE1-CD2 3.02Å; W822-H826 VanDerWaalsContact NE1-CD2 3.3Å; W822-H826 AromaticContact NE1-CG 3.85Å; W822-H826 AromaticContact NE1-NE2 3.9Å; W822-H826 WeakPolarHBondContact O-CB 3.43Å; W822-H826 PolarHBondContact O-N 2.86Å; H826-W828 AromaticContact ND1-CZ2 3.78Å; H826-W828 PolarHBondContact O-N 3.48Å; H826-W828 VanDerWaalsContact O-N 3.09Å; H826-A829 HydrophobicContact CB-CB 4.11Å; H826-A829 WeakPolarHBondContact O-CA 3.33Å; H826-A829 WeakPolarHBondContact O-CB 3.31Å; H826-A829 PolarHBondContact O-N 3Å; H826-V830 PolarHBondContact O-N 2.92Å |
| 827 | W | 89.7 | Confident | 86.9 | Confident | 157 Ų | 157 | 89 Ų | 89 | 60% | 0.595 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -52.4 | -34.2 | 179.5 | 66.5 | -90.8 | 0 | 0 | 0 | 113.1 | I823 V830 I831 | I823-W827 VanDerWaalsContact O-CA 3.28Å; I823-W827 WeakPolarHBondContact O-CA 3.4Å; I823-W827 WeakPolarHBondContact O-CB 3.44Å; I823-W827 PolarHBondContact O-N 2.03Å; W827-V830 PolarHBondContact O-N 3.23Å; W827-I831 HydrophobicContact CE3-CD1 3.66Å; W827-I831 HydrophobicContact CZ3-CD1 3.69Å; W827-I831 PolarHBondContact O-N 3.18Å |
| 828 | W | 92.1 | Very high | 87.6 | Confident | 133 Ų | 133 | 87.4 Ų | 87.4 | 50% | 0.504 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 175.2 | 57.7 | -92.9 | 0 | 0 | 0 | 112.6 | H826 I831 L832 | H826-W828 AromaticContact ND1-CZ2 3.78Å; H826-W828 PolarHBondContact O-N 3.48Å; H826-W828 VanDerWaalsContact O-N 3.09Å; W828-I831 PolarHBondContact O-N 3.13Å; W828-L832 HydrophobicContact CE3-CD1 3.92Å; W828-L832 HydrophobicContact CZ3-CD1 4.13Å; W828-L832 WeakPolarHBondContact O-CG 3.29Å; W828-L832 PolarHBondContact O-N 3.41Å |
| 829 | A | 89 | Confident | 88.3 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 12% | 0.116 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.6 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | W822 H826 I831 L832 I833 | W822-A829 HydrophobicContact CH2-CB 4.32Å; H826-A829 HydrophobicContact CB-CB 4.11Å; H826-A829 WeakPolarHBondContact O-CA 3.33Å; H826-A829 WeakPolarHBondContact O-CB 3.31Å; H826-A829 PolarHBondContact O-N 3Å; A829-I831 VanDerWaalsContact C-N 3.29Å; A829-I831 PolarHBondContact O-N 3.09Å; A829-L832 PolarHBondContact O-N 3.28Å; A829-I833 VanDerWaalsContact O-CG1 3.28Å; A829-I833 WeakPolarHBondContact O-CG1 3.28Å; A829-I833 PolarHBondContact O-N 3.27Å |
| 830 | V | 87.7 | Confident | 88.7 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 36% | 0.358 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 111 | W822 I823 H826 W827 A834 | W822-V830 HydrophobicContact CH2-CG2 4.46Å; W822-V830 HydrophobicContact CZ3-CG2 3.82Å; I823-V830 HydrophobicContact CG1-CG2 4.24Å; I823-V830 HydrophobicContact CG2-CG2 4.5Å; H826-V830 PolarHBondContact O-N 2.92Å; W827-V830 PolarHBondContact O-N 3.23Å; V830-A834 WeakPolarHBondContact O-CB 3.08Å; V830-A834 PolarHBondContact O-N 3.48Å |
| 831 | I | 90.1 | Very high | 89 | Confident | 87 Ų | 87 | 82.7 Ų | 82.7 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.1 | -66.1 | 172.4 | 0 | 0 | 0 | 111.3 | W827 W828 A829 A834 L835 | W827-I831 HydrophobicContact CE3-CD1 3.66Å; W827-I831 HydrophobicContact CZ3-CD1 3.69Å; W827-I831 PolarHBondContact O-N 3.18Å; W828-I831 PolarHBondContact O-N 3.13Å; A829-I831 VanDerWaalsContact C-N 3.29Å; A829-I831 PolarHBondContact O-N 3.09Å; I831-A834 PolarHBondContact O-N 3.45Å; I831-L835 HydrophobicContact CG2-CD1 4.02Å; I831-L835 HydrophobicContact CG2-CG 4.48Å; I831-L835 WeakPolarHBondContact O-CB 3.03Å; I831-L835 WeakPolarHBondContact O-CG 3.32Å; I831-L835 PolarHBondContact O-N 3.18Å |
| 832 | L | 92.2 | Very high | 89.3 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177 | -69.7 | 176 | 0 | 0 | 0 | 112.3 | W828 A829 L835 A836 | W828-L832 HydrophobicContact CE3-CD1 3.92Å; W828-L832 HydrophobicContact CZ3-CD1 4.13Å; W828-L832 WeakPolarHBondContact O-CG 3.29Å; W828-L832 PolarHBondContact O-N 3.41Å; A829-L832 PolarHBondContact O-N 3.28Å; L832-L835 PolarHBondContact O-N 3.07Å; L832-A836 WeakPolarHBondContact O-CB 3.43Å; L832-A836 PolarHBondContact O-N 3.27Å |
| 833 | I | 90.2 | Very high | 89.1 | Confident | 76 Ų | 76 | 81.6 Ų | 81.6 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 175 | -67.4 | 163 | 0 | 0 | 0 | 110.2 | W822 A829 L835 A836 V837 | W822-I833 HydrophobicContact CH2-CD1 4.48Å; A829-I833 VanDerWaalsContact O-CG1 3.28Å; A829-I833 WeakPolarHBondContact O-CG1 3.28Å; A829-I833 PolarHBondContact O-N 3.27Å; I833-L835 VanDerWaalsContact C-N 3.34Å; I833-L835 PolarHBondContact O-N 3.2Å; I833-A836 PolarHBondContact O-N 3.41Å; I833-V837 HydrophobicContact CG2-CG2 4.45Å; I833-V837 WeakPolarHBondContact O-CG2 3.19Å; I833-V837 PolarHBondContact O-N 3.03Å |
| 834 | A | 88.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 84.5 Ų | 84.5 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V830 I831 I838 | V830-A834 WeakPolarHBondContact O-CB 3.08Å; V830-A834 PolarHBondContact O-N 3.48Å; I831-A834 PolarHBondContact O-N 3.45Å; A834-I838 WeakPolarHBondContact O-CB 3.46Å; A834-I838 WeakPolarHBondContact O-CD1 2.75Å; A834-I838 VanDerWaalsContact O-CG1 3.24Å; A834-I838 WeakPolarHBondContact O-CG1 3.4Å; A834-I838 PolarHBondContact O-N 2.75Å |
| 835 | L | 92.7 | Very high | 89.2 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 173.9 | -73.6 | 169.7 | 0 | 0 | 0 | 112 | I831 L832 I833 V837 I838 I839 | I831-L835 HydrophobicContact CG2-CD1 4.02Å; I831-L835 HydrophobicContact CG2-CG 4.48Å; I831-L835 WeakPolarHBondContact O-CB 3.03Å; I831-L835 WeakPolarHBondContact O-CG 3.32Å; I831-L835 PolarHBondContact O-N 3.18Å; L832-L835 PolarHBondContact O-N 3.07Å; I833-L835 VanDerWaalsContact C-N 3.34Å; I833-L835 PolarHBondContact O-N 3.2Å; L835-V837 PolarHBondContact O-N 3.35Å; L835-I838 PolarHBondContact O-N 3.49Å; L835-I839 WeakPolarHBondContact O-CB 3.29Å; L835-I839 WeakPolarHBondContact O-CD1 3.22Å; L835-I839 VanDerWaalsContact O-CG1 3.24Å; L835-I839 WeakPolarHBondContact O-CG1 3.41Å; L835-I839 PolarHBondContact O-N 2.82Å |
| 836 | A | 90.3 | Very high | 88.8 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L832 I833 I839 G840 | L832-A836 WeakPolarHBondContact O-CB 3.43Å; L832-A836 PolarHBondContact O-N 3.27Å; I833-A836 PolarHBondContact O-N 3.41Å; A836-I839 PolarHBondContact O-N 2.9Å; A836-G840 PolarHBondContact O-N 2.71Å |
| 837 | V | 89.6 | Confident | 88.4 | Confident | 87 Ų | 87 | 88.3 Ų | 88.3 | 53% | 0.527 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | I833 L835 G840 A841 | I833-V837 HydrophobicContact CG2-CG2 4.45Å; I833-V837 WeakPolarHBondContact O-CG2 3.19Å; I833-V837 PolarHBondContact O-N 3.03Å; L835-V837 PolarHBondContact O-N 3.35Å; V837-G840 PolarHBondContact O-N 3.11Å; V837-A841 WeakPolarHBondContact O-CB 3.39Å; V837-A841 PolarHBondContact O-N 3.34Å |
| 838 | I | 91.6 | Very high | 87.8 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 176 | -71 | 164.9 | 0 | 0 | 0 | 111.1 | A834 L835 A841 I842 | A834-I838 WeakPolarHBondContact O-CB 3.46Å; A834-I838 WeakPolarHBondContact O-CD1 2.75Å; A834-I838 VanDerWaalsContact O-CG1 3.24Å; A834-I838 WeakPolarHBondContact O-CG1 3.4Å; A834-I838 PolarHBondContact O-N 2.75Å; L835-I838 PolarHBondContact O-N 3.49Å; I838-A841 PolarHBondContact O-N 2.93Å; I838-I842 HydrophobicContact CG2-CD1 3.83Å; I838-I842 VanDerWaalsContact O-CG1 3.27Å; I838-I842 WeakPolarHBondContact O-CG1 3.38Å; I838-I842 PolarHBondContact O-N 2.94Å |
| 839 | I | 91.5 | Very high | 86.9 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 54% | 0.544 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.9 | -69.1 | 163.8 | 0 | 0 | 0 | 110.4 | L835 A836 A841 I842 T843 | L835-I839 WeakPolarHBondContact O-CB 3.29Å; L835-I839 WeakPolarHBondContact O-CD1 3.22Å; L835-I839 VanDerWaalsContact O-CG1 3.24Å; L835-I839 WeakPolarHBondContact O-CG1 3.41Å; L835-I839 PolarHBondContact O-N 2.82Å; A836-I839 PolarHBondContact O-N 2.9Å; I839-A841 PolarHBondContact O-N 2.89Å; I839-I842 PolarHBondContact O-N 3.45Å; I839-T843 PolarHBondContact O-N 2.81Å; I839-T843 PolarHBondContact O-OG1 3.01Å |
| 840 | G | 89.6 | Confident | 86.1 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A836 V837 T843 F844 | A836-G840 PolarHBondContact O-N 2.71Å; V837-G840 PolarHBondContact O-N 3.11Å; G840-T843 WeakPolarHBondContact CA-OG1 3.38Å; G840-T843 PolarHBondContact O-OG1 2.79Å; G840-T843 VanDerWaalsContact O-OG1 3.11Å; G840-F844 WeakPolarHBondContact O-CB 3.23Å; G840-F844 PolarHBondContact O-N 3.37Å |
| 841 | A | 84.6 | Confident | 85 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | V837 I838 I839 V845 | V837-A841 WeakPolarHBondContact O-CB 3.39Å; V837-A841 PolarHBondContact O-N 3.34Å; I838-A841 PolarHBondContact O-N 2.93Å; I839-A841 PolarHBondContact O-N 2.89Å; A841-V845 WeakPolarHBondContact O-CB 3.3Å; A841-V845 VanDerWaalsContact O-CG2 3.29Å; A841-V845 WeakPolarHBondContact O-CG2 3.37Å; A841-V845 PolarHBondContact O-N 3.16Å |
| 842 | I | 89.7 | Confident | 83.3 | Confident | 95 Ų | 95 | 92 Ų | 92 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 177.9 | -69.3 | 165.2 | 0 | 0 | 0 | 111.5 | I838 I839 K846 | I838-I842 HydrophobicContact CG2-CD1 3.83Å; I838-I842 VanDerWaalsContact O-CG1 3.27Å; I838-I842 WeakPolarHBondContact O-CG1 3.38Å; I838-I842 PolarHBondContact O-N 2.94Å; I839-I842 PolarHBondContact O-N 3.45Å; I842-K846 PolarHBondContact O-N 3Å |
| 843 | T | 84 | Confident | 81.4 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 175.1 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | I839 G840 V845 K846 I847 | I839-T843 PolarHBondContact O-N 2.81Å; I839-T843 PolarHBondContact O-OG1 3.01Å; G840-T843 WeakPolarHBondContact CA-OG1 3.38Å; G840-T843 PolarHBondContact O-OG1 2.79Å; G840-T843 VanDerWaalsContact O-OG1 3.11Å; T843-V845 PolarHBondContact O-N 2.98Å; T843-K846 PolarHBondContact O-N 3.13Å; T843-I847 WeakPolarHBondContact O-CB 3.4Å; T843-I847 WeakPolarHBondContact O-CD1 3.34Å; T843-I847 VanDerWaalsContact O-CG1 3.25Å; T843-I847 WeakPolarHBondContact O-CG1 3.31Å; T843-I847 PolarHBondContact O-N 3.37Å |
| 844 | F | 86.6 | Confident | 79.6 | Confident | 136 Ų | 136 | 94.4 Ų | 94.4 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.7 | -49.2 | 174.6 | -177.3 | -99.2 | 0 | 0 | 0 | 111.9 | G840 K846 I847 C848 | G840-F844 WeakPolarHBondContact O-CB 3.23Å; G840-F844 PolarHBondContact O-N 3.37Å; F844-K846 VanDerWaalsContact C-N 3.32Å; F844-K846 PolarHBondContact O-N 2.95Å; F844-I847 PolarHBondContact O-N 3.23Å; F844-C848 PolarHBondContact O-N 3.25Å; F844-C848 PolarHBondContact O-SG 3.19Å; F844-C848 VanDerWaalsContact O-SG 3.38Å |
| 845 | V | 84.6 | Confident | 77.9 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.5 | -40 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | A841 T843 A849 | A841-V845 WeakPolarHBondContact O-CB 3.3Å; A841-V845 VanDerWaalsContact O-CG2 3.29Å; A841-V845 WeakPolarHBondContact O-CG2 3.37Å; A841-V845 PolarHBondContact O-N 3.16Å; T843-V845 PolarHBondContact O-N 2.98Å; V845-A849 VanDerWaalsContact O-CB 3.3Å; V845-A849 WeakPolarHBondContact O-CB 3.48Å; V845-A849 PolarHBondContact O-N 2.97Å |
| 846 | K | 80.6 | Confident | 75.5 | Confident | 151 Ų | 151 | 104.6 Ų | 104.6 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.3 | -40.5 | 174.8 | -81 | -171.3 | 171.9 | -173.1 | 0 | 113.2 | I842 T843 F844 A849 F850 | I842-K846 PolarHBondContact O-N 3Å; T843-K846 PolarHBondContact O-N 3.13Å; F844-K846 VanDerWaalsContact C-N 3.32Å; F844-K846 PolarHBondContact O-N 2.95Å; K846-A849 PolarHBondContact O-N 2.78Å; K846-F850 PolarHBondContact O-N 3.24Å |
| 847 | I | 82.2 | Confident | 73.1 | Confident | 102 Ų | 102 | 108.9 Ų | 108.9 | 52% | 0.523 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.6 | -45.6 | 177.3 | -69.9 | 162 | 0 | 0 | 0 | 110.2 | T843 F844 A849 F850 N851 | T843-I847 WeakPolarHBondContact O-CB 3.4Å; T843-I847 WeakPolarHBondContact O-CD1 3.34Å; T843-I847 VanDerWaalsContact O-CG1 3.25Å; T843-I847 WeakPolarHBondContact O-CG1 3.31Å; T843-I847 PolarHBondContact O-N 3.37Å; F844-I847 PolarHBondContact O-N 3.23Å; I847-A849 PolarHBondContact O-N 2.93Å; I847-F850 PolarHBondContact O-N 2.66Å; I847-N851 PolarHBondContact O-N 3.13Å |
| 848 | C | 76.3 | Confident | 70.8 | Confident | 54 Ų | 54 | 111.3 Ų | 111.3 | 37% | 0.365 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.5 | -46 | 173.9 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | F844 F850 N851 T852 | F844-C848 PolarHBondContact O-N 3.25Å; F844-C848 PolarHBondContact O-SG 3.19Å; F844-C848 VanDerWaalsContact O-SG 3.38Å; C848-F850 VanDerWaalsContact C-N 3.31Å; C848-F850 PolarHBondContact O-N 2.99Å; C848-N851 PolarHBondContact O-N 3.36Å; C848-T852 WeakPolarHBondContact O-CG2 3.31Å; C848-T852 PolarHBondContact O-N 2.86Å; C848-T852 VanDerWaalsContact O-N 3.13Å; C848-T852 PolarHBondContact O-OG1 3.34Å |
| 849 | A | 74.4 | Confident | 68.3 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.6 | -30.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V845 K846 I847 T852 | V845-A849 VanDerWaalsContact O-CB 3.3Å; V845-A849 WeakPolarHBondContact O-CB 3.48Å; V845-A849 PolarHBondContact O-N 2.97Å; K846-A849 PolarHBondContact O-N 2.78Å; I847-A849 PolarHBondContact O-N 2.93Å; A849-T852 PolarHBondContact O-OG1 2.78Å |
| 850 | F | 71.6 | Confident | 66 | Low | 188 Ų | 188 | 115.4 Ų | 115.4 | 83% | 0.825 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.7 | -29.4 | 177.3 | -146.5 | -89.4 | 0 | 0 | 0 | 112.6 | K846 I847 C848 | K846-F850 PolarHBondContact O-N 3.24Å; I847-F850 PolarHBondContact O-N 2.66Å; C848-F850 VanDerWaalsContact C-N 3.31Å; C848-F850 PolarHBondContact O-N 2.99Å |
| 851 | N | 64.3 | Low | 63.5 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -94.9 | -4.4 | -177.8 | -73 | -5.2 | 0 | 0 | 0 | 114.4 | I847 C848 P853 | I847-N851 PolarHBondContact O-N 3.13Å; C848-N851 PolarHBondContact O-N 3.36Å; N851-P853 VanDerWaalsContact O-CD 3.23Å; N851-P853 WeakPolarHBondContact O-CD 3.35Å |
| 852 | T | 55.2 | Low | 61.1 | Low | 95 Ų | 95 | 130.1 Ų | 130.1 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -91.4 | 104.7 | 172 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | C848 A849 | C848-T852 WeakPolarHBondContact O-CG2 3.31Å; C848-T852 PolarHBondContact O-N 2.86Å; C848-T852 VanDerWaalsContact O-N 3.13Å; C848-T852 PolarHBondContact O-OG1 3.34Å; A849-T852 PolarHBondContact O-OG1 2.78Å |
| 853 | P | 52.3 | Low | 58.8 | Low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -67.4 | 145.1 | 174.1 | 28.6 | -35 | 0 | 0 | 0 | 111.2 | N851 V855 | N851-P853 VanDerWaalsContact O-CD 3.23Å; N851-P853 WeakPolarHBondContact O-CD 3.35Å; P853-V855 PolarHBondContact O-N 3.26Å; P853-V855 VanDerWaalsContact O-N 3.15Å | ||
| 854 | P | 51.7 | Low | 56.5 | Low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | trans | -71.8 | 109.9 | -177.7 | 28.2 | -34.1 | 0 | 0 | 0 | 111.3 | R856 | P854-R856 PolarHBondContact O-N 2.63Å; P854-R856 VanDerWaalsContact O-N 3.08Å | ||
| 855 | V | 53 | Low | 54.3 | Low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 105.4 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | P853 L857 | P853-V855 PolarHBondContact O-N 3.26Å; P853-V855 VanDerWaalsContact O-N 3.15Å; V855-L857 PolarHBondContact O-N 3.47Å | ||
| 856 | R | 42.4 | Very low | 51.9 | Low | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 119.9 | 172 | -67.8 | -173.2 | -178.7 | -169.6 | 2 | 109.8 | P854 N858 | P854-R856 PolarHBondContact O-N 2.63Å; P854-R856 VanDerWaalsContact O-N 3.08Å; R856-N858 PolarHBondContact O-N 3.45Å | ||
| 857 | L | 38.7 | Very low | 49.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -74 | 103.2 | 163.2 | -80.6 | 83.9 | 0 | 0 | 0 | 109 | V855 | V855-L857 PolarHBondContact O-N 3.47Š| ||
| 858 | N | 42.4 | Very low | 47.5 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -86.1 | 117.3 | 159.3 | -84.3 | 7.5 | 0 | 0 | 0 | 108.7 | R856 V860 | R856-N858 PolarHBondContact O-N 3.45Å; N858-V860 PolarHBondContact O-N 3.2Å | ||
| 859 | N | 38 | Very low | 45.8 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -67.8 | 121 | 172.6 | -68.8 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 860 | V | 44.4 | Very low | 43.8 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -129 | 128.4 | 163.1 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | N858 | N858-V860 PolarHBondContact O-N 3.2Š| ||
| 861 | N | 37.6 | Very low | 41.9 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -79.4 | 159.9 | -168.5 | -83.7 | -36.2 | 0 | 0 | 0 | 113.7 | ||||
| 862 | R | 33.7 | Very low | 40.6 | Very low | 239 Ų | 239 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 134.4 | 172.9 | -62.2 | 168.8 | 171.3 | 167.1 | -5.4 | 111.8 | ||||
| 863 | T | 39.8 | Very low | 39.6 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -157.8 | 152.4 | 135.2 | 12.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 864 | M | 37.7 | Very low | 39 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -96.9 | 177 | 173.7 | -112.7 | -178.2 | 173.8 | 0 | 0 | 109.4 | ||||
| 865 | P | 38.7 | Very low | 38.3 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -144.2 | 175.9 | 30.9 | 42.2 | -21.6 | 0 | 0 | 0 | 119.1 | ||||
| 866 | N | 33.9 | Very low | 37.5 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | 1.3 | 134.1 | 156.2 | -53.7 | -9.2 | 0 | 0 | 0 | 121.1 | ||||
| 867 | L | 35.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | -164.8 | 158.1 | 126.4 | -109 | 158.8 | 0 | 0 | 0 | 111.6 | |||||
| 868 | T | 35 | Very low | 36.9 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -126.8 | 135.2 | -170 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 869 | P | 40.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -98.8 | 142.4 | 150.1 | 34.7 | -26.9 | 0 | 0 | 0 | 110.2 | ||||
| 870 | F | 33.5 | Very low | 36.1 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | cis | 83 | 125.5 | 43.4 | -84 | -80.4 | 0 | 0 | 0 | 116.3 | ||||
| 871 | L | 32.2 | Very low | 35.6 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -53.6 | 154.2 | -178.8 | -63.3 | 148 | 0 | 0 | 0 | 115.4 | ||||
| 872 | T | 36.6 | Very low | 35.3 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 164.3 | 147.3 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 873 | S | 34.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -144 | 146.3 | -174.5 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 874 | S | 39.4 | Very low | 34.8 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 171 | 138.8 | 133.1 | 40.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 875 | H | 37.4 | Very low | 34.5 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 31.1 | 118 | 146.4 | -65.8 | -90.7 | 0 | 0 | 0 | 121.3 | ||||
| 876 | I | 36.5 | Very low | 33.9 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 65 | 130.1 | 78 | -67.8 | 172.8 | 0 | 0 | 0 | 112.5 | |||||
| 877 | P | 36.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -136.2 | 170.1 | 26.7 | 37.2 | -17.5 | 0 | 0 | 0 | 118.9 | ||||
| 878 | S | 31.3 | Very low | 33.2 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | 35.6 | 104.7 | 149.6 | 63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 879 | G | 31.5 | Very low | 32.9 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -160.4 | 143.6 | 159 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 880 | S | 32 | Very low | 32.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -104.9 | 118 | -175.9 | 48.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 881 | V | 34.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -148.9 | 129.7 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 882 | D | 31.6 | Very low | 32 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -85.4 | 126.3 | 170.6 | -69.2 | -77.1 | 0 | 0 | 0 | 112.3 | N952 | D882-N952 PolarHBondContact O-ND2 2.67Š| ||
| 883 | Q | 30.5 | Very low | 31.7 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -147.1 | 119.3 | 158.8 | -73.6 | -163.3 | -10.1 | 0 | 0 | 112.4 | ||||
| 884 | P | 32 | Very low | 31.5 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | trans | -85.5 | 143.4 | 159.5 | 33.2 | -30.6 | 0 | 0 | 0 | 111.1 | V886 N952 | P884-V886 PolarHBondContact O-N 2.89Å; P884-N952 WeakPolarHBondContact CD-OD1 3.38Å | ||
| 885 | V | 30.2 | Very low | 30.9 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 124.8 | -177.2 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | W887 | V885-W887 PolarHBondContact O-N 3.03Š| ||
| 886 | V | 27.4 | Very low | 30.4 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -81.5 | 112.6 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | P884 T888 | P884-V886 PolarHBondContact O-N 2.89Å; V886-T888 HydrophobicContact CG1-CG2 3.99Å; V886-T888 PolarHBondContact O-N 3.32Å | ||
| 887 | W | 26.8 | Very low | 30.1 | Very low | 232 Ų | 232 | 135 Ų | 135 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -82.7 | 87.4 | 168.8 | -72.5 | 92.5 | 0 | 0 | 0 | 110.6 | V885 V889 | V885-W887 PolarHBondContact O-N 3.03Å; W887-V889 PolarHBondContact O-N 3.07Å; W887-V889 VanDerWaalsContact O-N 3.11Å | ||
| 888 | T | 27.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 101.5 | 168.6 | 44.3 | 0 | 0 | 0 | 0 | 110 | V886 T890 | V886-T888 HydrophobicContact CG1-CG2 3.99Å; V886-T888 PolarHBondContact O-N 3.32Å; T888-T890 PolarHBondContact O-N 3.08Å | ||
| 889 | V | 29.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 79.2 | 170.7 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | W887 S891 | W887-V889 PolarHBondContact O-N 3.07Å; W887-V889 VanDerWaalsContact O-N 3.11Å; V889-S891 PolarHBondContact O-N 3.33Å | ||
| 890 | T | 28.2 | Very low | 29.6 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 54% | 0.54 | 77% | 0.766 | S | S | . | * | trans | -70.2 | 117.6 | 172.3 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | T888 H892 | T888-T890 PolarHBondContact O-N 3.08Å; T890-H892 PolarHBondContact O-N 2.98Å | ||
| 891 | S | 30.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -70.2 | 89.3 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | V889 | V889-S891 PolarHBondContact O-N 3.33Š| ||
| 892 | H | 28.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | -60.1 | 131 | 177.2 | -70.6 | -55.7 | 0 | 0 | 0 | 111.2 | T890 V894 | T890-H892 PolarHBondContact O-N 2.98Å; H892-V894 PolarHBondContact O-N 3.02Å | ||
| 893 | P | 29.5 | Very low | 29.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 100.9 | 175.1 | 29 | -33.2 | 0 | 0 | 0 | 109.8 | K895 | P893-K895 PolarHBondContact O-N 2.87Å; P893-K895 VanDerWaalsContact O-N 3.07Å | ||
| 894 | V | 31.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 110.2 | 177 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | H892 W896 | H892-V894 PolarHBondContact O-N 3.02Å; V894-W896 PolarHBondContact O-N 3.03Å | ||
| 895 | K | 27.2 | Very low | 29.8 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 123 | 176.9 | -76.8 | -179.9 | 174.9 | 175.8 | 0 | 110.5 | P893 T897 | P893-K895 PolarHBondContact O-N 2.87Å; P893-K895 VanDerWaalsContact O-N 3.07Å; K895-T897 HydrophobicContact CB-CG2 4.45Å; K895-T897 PolarHBondContact O-N 2.83Å | ||
| 896 | W | 25.9 | Very low | 30.1 | Very low | 255 Ų | 255 | 141 Ų | 141 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | trans | -70.4 | 94.1 | 163 | -84.4 | 73.7 | 0 | 0 | 0 | 110.1 | V894 | V894-W896 PolarHBondContact O-N 3.03Š| ||
| 897 | T | 31.2 | Very low | 30.3 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 93.9 | 164.6 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | K895 S899 | K895-T897 HydrophobicContact CB-CG2 4.45Å; K895-T897 PolarHBondContact O-N 2.83Å; T897-S899 PolarHBondContact O-N 3.47Å | ||
| 898 | G | 27.3 | Very low | 30.8 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -65.4 | 130.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 899 | S | 31.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -133.7 | 109.8 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | T897 | T897-S899 PolarHBondContact O-N 3.47Š| ||
| 900 | S | 30.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -80.4 | 135.8 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 901 | N | 32.5 | Very low | 31.6 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -149 | 140.7 | 147.8 | -104.9 | -35.3 | 0 | 0 | 0 | 111.7 | ||||
| 902 | P | 37.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -97.2 | 161.8 | -176.7 | 38.7 | -35.4 | 0 | 0 | 0 | 112.7 | ||||
| 903 | L | 32.2 | Very low | 32.2 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 173.5 | 147.6 | 153.8 | -95.1 | 157.6 | 0 | 0 | 0 | 106.7 | ||||
| 904 | R | 32.1 | Very low | 32.3 | Very low | 229 Ų | 229 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -148.2 | 168.2 | -0.8 | -163.4 | 171.4 | -166.7 | 178.9 | 2.5 | 108.9 | ||||
| 905 | T | 30 | Very low | 32.6 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -117.1 | 140.5 | -167.9 | 48.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 906 | S | 36.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -154.2 | 123 | 150.1 | 45.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 907 | R | 31.1 | Very low | 33.2 | Very low | 219 Ų | 219 | 146.9 Ų | 146.9 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | cis | 103.3 | 101.9 | 18.8 | -171.2 | -159.1 | -73.1 | -148.2 | 0.7 | 112.8 | ||||
| 908 | L | 37 | Very low | 33.3 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | 174.1 | 103.8 | 145.6 | -89 | 153.6 | 0 | 0 | 0 | 105.5 | ||||
| 909 | T | 33 | Very low | 33.7 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 50.9 | 134 | 85.6 | 66 | 0 | 0 | 0 | 0 | 114 | |||||
| 910 | R | 32.4 | Very low | 33.9 | Very low | 247 Ų | 247 | 154.4 Ų | 154.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | cis | -156.5 | 170.8 | 20.4 | -120.7 | 169 | 179.3 | 170.2 | -1.7 | 107.4 | ||||
| 911 | S | 37.2 | Very low | 34.2 | Very low | 88 Ų | 88 | 154.9 Ų | 154.9 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | cis | -152.4 | 165.7 | -1.7 | 85.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 912 | S | 34.1 | Very low | 34.4 | Very low | 96 Ų | 96 | 153.9 Ų | 153.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | 56.1 | 139.1 | 92.6 | 105 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 913 | Q | 37.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | cis | -151.3 | 150.4 | 24.3 | -106.5 | -175.6 | 39.5 | 0 | 0 | 114.5 | ||||
| 914 | R | 31.2 | Very low | 34.2 | Very low | 195 Ų | 195 | 154.1 Ų | 154.1 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 49.5 | 155.4 | 135 | -65.4 | 177.6 | 164.4 | 179.5 | -3.3 | 121 | ||||
| 915 | Q | 36.7 | Very low | 34.3 | Very low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -170.2 | 172.7 | -7.2 | -103.5 | 170 | -55.2 | 0 | 0 | 106.5 | ||||
| 916 | S | 31.9 | Very low | 34.4 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -177.7 | -176.9 | -24.1 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 917 | R | 34.9 | Very low | 34 | Very low | 231 Ų | 231 | 155.1 Ų | 155.1 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | 78.3 | 116.8 | 178.8 | -58.5 | -179.9 | 175 | -179.7 | -1.6 | 114.4 | ||||
| 918 | K | 33.1 | Very low | 34.2 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | 79.7 | 136.5 | 68.5 | -87.2 | -171 | 176.3 | -174.1 | 0 | 112.1 | |||||
| 919 | S | 34.6 | Very low | 33.9 | Very low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -167.6 | 146 | 17.3 | 169.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 920 | K | 36.3 | Very low | 34.1 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | trans | 67.1 | 154.6 | 153.5 | -77.8 | 179.5 | 166.2 | -157.1 | 0 | 119 | ||||
| 921 | D | 35.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | cis | -157.3 | 169.7 | -4.3 | -128.7 | -39.9 | 0 | 0 | 0 | 113.9 | ||||
| 922 | I | 37.8 | Very low | 34 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | 76 | 100.7 | 154.2 | -63.6 | 158.7 | 0 | 0 | 0 | 123.1 | ||||
| 923 | K | 32.7 | Very low | 34.1 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | 52.7 | 139.1 | 127.8 | -55.8 | -178.5 | -178.8 | 179.6 | 0 | 126.4 | |||||
| 924 | G | 31.6 | Very low | 33.8 | Very low | 68 Ų | 68 | 155.8 Ų | 155.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 106.3 | 111.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 925 | V | 34.4 | Very low | 33.8 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | cis | 64.3 | 117.9 | 46 | -164.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 926 | I | 33.1 | Very low | 33.3 | Very low | 115 Ų | 115 | 155 Ų | 155 | 59% | 0.59 | 78% | 0.78 | S | S | * | * | -154.3 | 156.8 | 77.1 | -73.4 | 158.4 | 0 | 0 | 0 | 111.8 | Y928 | I926-Y928 HydrophobicContact CB-CE2 4.18Å; I926-Y928 HydrophobicContact CG2-CD1 4.39Å; I926-Y928 HydrophobicContact CG2-CD2 3.82Å; I926-Y928 HydrophobicContact CG2-CE1 4.1Å; I926-Y928 HydrophobicContact CG2-CE2 3.48Å; I926-Y928 VanDerWaalsContact CG2-CE2 3.48Å; I926-Y928 HydrophobicContact CG2-CG 4.27Å | |||
| 927 | R | 28.1 | Very low | 33.3 | Very low | 241 Ų | 241 | 157.5 Ų | 157.5 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -102.9 | 144.8 | 160.4 | -68.6 | -176.7 | -178.7 | 179.9 | 0.2 | 110.5 | ||||
| 928 | Y | 33.8 | Very low | 32.9 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | trans | -125.5 | 132.9 | 171.2 | -70.5 | -79.2 | 0 | 0 | 0 | 112.1 | I926 | I926-Y928 HydrophobicContact CB-CE2 4.18Å; I926-Y928 HydrophobicContact CG2-CD1 4.39Å; I926-Y928 HydrophobicContact CG2-CD2 3.82Å; I926-Y928 HydrophobicContact CG2-CE1 4.1Å; I926-Y928 HydrophobicContact CG2-CE2 3.48Å; I926-Y928 VanDerWaalsContact CG2-CE2 3.48Å; I926-Y928 HydrophobicContact CG2-CG 4.27Å | ||
| 929 | P | 31.8 | Very low | 32.8 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -85.1 | 155.8 | 155 | 35.8 | -30.8 | 0 | 0 | 0 | 110.3 | ||||
| 930 | I | 37.5 | Very low | 32.8 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -124.2 | 127.4 | 174 | -61.2 | 178.6 | 0 | 0 | 0 | 109.1 | ||||
| 931 | T | 31.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 141.7 | 173 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 932 | S | 35.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 128.9 | 178.1 | 48 | 0 | 0 | 0 | 0 | 112.8 | ||
| 933 | E | 35.6 | Very low | 32.3 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 153.6 | 166.8 | -76.7 | -176.3 | 122 | 0 | 0 | 111.9 | ||
| 934 | K | 30.5 | Very low | 32.3 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 130.7 | 169.3 | -74.1 | -177.9 | 174.4 | -178.2 | 0 | 109.9 | ||
| 935 | I | 32 | Very low | 32.3 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -107 | 129.4 | 161.1 | -64.5 | 178.2 | 0 | 0 | 0 | 107.8 | ||||
| 936 | F | 26.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 134.1 | 178.9 | -90.6 | -105.2 | 0 | 0 | 0 | 111.5 | ||||
| 937 | I | 31.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -130.6 | 131.8 | 154.6 | -59.2 | -179 | 0 | 0 | 0 | 106.4 | P939 | I937-P939 WeakPolarHBondContact O-CD 3.01Š| ||
| 938 | T | 25.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 124.2 | -169.2 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 939 | P | 32 | Very low | 32.8 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154 | 156.8 | 35.1 | -31.7 | 0 | 0 | 0 | 110.9 | I937 | I937-P939 WeakPolarHBondContact O-CD 3.01Š|
| 940 | S | 35.1 | Very low | 32.9 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 144.5 | -176.9 | -61 | 0 | 0 | 0 | 0 | 113.5 | ||
| 941 | A | 35.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 59.7 | 124.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 942 | A | 28.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -95 | 155.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 943 | I | 34.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -131 | 148.8 | 168.5 | -62.3 | -178 | 0 | 0 | 0 | 108.4 | ||||
| 944 | D | 32.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 131.3 | -161.4 | -151.2 | -30.4 | 0 | 0 | 0 | 114.1 | L946 | D944-L946 PolarHBondContact O-N 3.15Š| ||
| 945 | P | 32.4 | Very low | 31.9 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -82 | 68.9 | -178.9 | 34.5 | -38.7 | 0 | 0 | 0 | 113.8 | ||
| 946 | L | 35.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -127.9 | -3.1 | 178.5 | -88.1 | 171.4 | 0 | 0 | 0 | 116.8 | D944 | D944-L946 PolarHBondContact O-N 3.15Š| ||
| 947 | D | 33.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -112 | 35.3 | -166 | -126 | -14 | 0 | 0 | 0 | 115 | P949 | D947-P949 WeakPolarHBondContact O-CD 3.43Š| ||
| 948 | F | 32.7 | Very low | 32 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -104.3 | 108.3 | -178.9 | -78.8 | -80.8 | 0 | 0 | 0 | 113.5 | ||||
| 949 | P | 37.2 | Very low | 32.2 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | trans | -75.1 | 149.5 | 168.5 | 31 | -34.1 | 0 | 0 | 0 | 111.8 | D947 | D947-P949 WeakPolarHBondContact O-CD 3.43Š| ||
| 950 | P | 33.9 | Very low | 32.2 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -74.7 | 141.7 | -169.4 | 28.9 | -35.7 | 0 | 0 | 0 | 114.4 | N952 | P950-N952 PolarHBondContact O-N 3.08Å; P950-N952 VanDerWaalsContact O-N 3.13Å | ||
| 951 | F | 32.5 | Very low | 31.9 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -80.6 | 83.5 | 175.5 | -86.1 | -100.2 | 0 | 0 | 0 | 112.4 | ||||
| 952 | N | 28.9 | Very low | 31.9 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 47% | 0.471 | 74% | 0.741 | S | S | . | * | trans | -136.5 | 88.7 | 165.1 | -94.8 | -21.6 | 0 | 0 | 0 | 110 | D882 P884 P950 | D882-N952 PolarHBondContact O-ND2 2.67Å; P884-N952 WeakPolarHBondContact CD-OD1 3.38Å; P950-N952 PolarHBondContact O-N 3.08Å; P950-N952 VanDerWaalsContact O-N 3.13Å | ||
| 953 | A | 32.4 | Very low | 32.1 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | -150.1 | 102.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q955 | A953-Q955 PolarHBondContact O-N 3.01Š| ||
| 954 | R | 26.9 | Very low | 32 | Very low | 244 Ų | 244 | 135.4 Ų | 135.4 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -77.9 | 84.5 | -177.9 | -169.1 | -172.3 | -157.8 | 176.7 | 7.2 | 111.1 | T956 | R954-T956 PolarHBondContact O-N 2.82Å; R954-T956 VanDerWaalsContact O-N 3.11Å | ||
| 955 | Q | 30.5 | Very low | 32.1 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -79.8 | 93.6 | -179.3 | -66.7 | -167.2 | -3.8 | 0 | 0 | 112.2 | A953 | A953-Q955 PolarHBondContact O-N 3.01Š| ||
| 956 | T | 30.1 | Very low | 32 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -63.4 | 152.8 | 154.7 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | R954 L958 | R954-T956 PolarHBondContact O-N 2.82Å; R954-T956 VanDerWaalsContact O-N 3.11Å; T956-L958 PolarHBondContact O-N 2.65Å | ||
| 957 | P | 31.9 | Very low | 32 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -70.4 | 96.2 | 173.8 | 29.2 | -33.6 | 0 | 0 | 0 | 110 | ||||
| 958 | L | 30.1 | Very low | 31.8 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -74.7 | 139.1 | 168 | -74.8 | 170.7 | 0 | 0 | 0 | 109.9 | T956 | T956-L958 PolarHBondContact O-N 2.65Š| ||
| 959 | P | 29.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -67.2 | 140.9 | 179 | 28.6 | -34.8 | 0 | 0 | 0 | 110.9 | L961 | P959-L961 VanDerWaalsContact C-N 3.25Å; P959-L961 PolarHBondContact O-N 3.32Å | ||
| 960 | V | 32.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -77.9 | 77.9 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | H962 | V960-H962 PolarHBondContact O-N 3.15Å; V960-H962 VanDerWaalsContact O-N 3.15Å | ||
| 961 | L | 28.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 102.3 | 160.3 | -89.3 | 148.1 | 0 | 0 | 0 | 108.5 | P959 | P959-L961 VanDerWaalsContact C-N 3.25Å; P959-L961 PolarHBondContact O-N 3.32Å | ||
| 962 | H | 35.1 | Very low | 31.6 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 51% | 0.509 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 133 | 167.4 | -79.5 | -89.9 | 0 | 0 | 0 | 109.2 | V960 | V960-H962 PolarHBondContact O-N 3.15Å; V960-H962 VanDerWaalsContact O-N 3.15Å |
| 963 | P | 34.2 | Very low | 31.8 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 133.5 | 178.4 | 28.7 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 964 | N | 30.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 127.9 | 170.1 | -80.3 | -22.2 | 0 | 0 | 0 | 110.7 | L966 | N964-L966 VanDerWaalsContact C-N 3.34Å; N964-L966 PolarHBondContact O-N 3.2Å; N964-L966 VanDerWaalsContact O-N 3.12Å |
| 965 | P | 35.9 | Very low | 31.9 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -84.8 | 74.2 | 170.1 | 34.5 | -33.1 | 0 | 0 | 0 | 110.7 | ||||
| 966 | L | 30 | Very low | 32 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -137.6 | 72.8 | 173.5 | -79.1 | -179 | 0 | 0 | 0 | 112.6 | N964 | N964-L966 VanDerWaalsContact C-N 3.34Å; N964-L966 PolarHBondContact O-N 3.2Å; N964-L966 VanDerWaalsContact O-N 3.12Å | ||
| 967 | S | 35 | Very low | 32.1 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -162 | 136.3 | 154.6 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 968 | L | 30.2 | Very low | 31.9 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -80.8 | 130.9 | 172.2 | -80.5 | 66.6 | 0 | 0 | 0 | 109.7 | ||||
| 969 | V | 35.2 | Very low | 32 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -144.3 | 125.7 | 137.1 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 970 | E | 30.9 | Very low | 31.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -82.7 | 154.4 | 173.3 | -63.9 | 177.1 | 96.5 | 0 | 0 | 111.6 | ||||
| 971 | L | 33.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 147 Ų | 147 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | -172.6 | 152.7 | 126.2 | -93.8 | 167.8 | 0 | 0 | 0 | 108.3 | |||||
| 972 | P | 31.4 | Very low | 32 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -118.9 | 149.4 | -141.3 | 39.8 | -31.2 | 0 | 0 | 0 | 116.3 | ||||
| 973 | L | 34.4 | Very low | 32 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -126.8 | 137.2 | 153.9 | -74.5 | 174.7 | 0 | 0 | 0 | 109.6 | ||||
| 974 | K | 31 | Very low | 31.9 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -79.6 | 140 | -161.3 | -64.1 | 173.4 | 178.5 | 175 | 0 | 113.1 | ||||
| 975 | P | 30.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 149.6 | 162.3 | 32.9 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 976 | I | 33 | Very low | 31.8 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -106.6 | 123.7 | 168.2 | -61.8 | 177.6 | 0 | 0 | 0 | 107.6 | ||||
| 977 | P | 30.8 | Very low | 31.8 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -86.9 | 133.4 | -171 | 32.5 | -34.3 | 0 | 0 | 0 | 113.2 | N979 | P977-N979 PolarHBondContact O-N 3.35Š| ||
| 978 | C | 28.3 | Very low | 31.6 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -82 | 99.6 | 158.1 | -73 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 979 | N | 31.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 147.5 | -176.7 | -113.4 | -20 | 0 | 0 | 0 | 112.7 | P977 | P977-N979 PolarHBondContact O-N 3.35Š| ||
| 980 | S | 28.4 | Very low | 31.4 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -57 | 141.5 | 164.8 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 981 | R | 31.5 | Very low | 31.5 | Very low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 139.9 | 148.9 | -92.2 | -168.9 | 174.2 | -177.6 | -2.1 | 111.1 | ||||
| 982 | N | 31.4 | Very low | 31.4 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -63.1 | 156.7 | -176.9 | -108.7 | -2.2 | 0 | 0 | 0 | 113.3 | ||||
| 983 | P | 35.8 | Very low | 31.6 | Very low | 96 Ų | 96 | 140 Ų | 140 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | trans | -72.6 | 175.8 | 162 | 34.7 | -36.1 | 0 | 0 | 0 | 111.8 | ||||
| 984 | N | 30.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 90 | 171.6 | -52.4 | -19.9 | 0 | 0 | 0 | 116.6 | ||||
| 985 | N | 31.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 176.2 | 167.9 | 121.9 | -88.9 | -17.6 | 0 | 0 | 0 | 112.3 | |||||
| 986 | F | 32.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | 65.9 | 94.8 | -174.1 | -59.5 | -75.8 | 0 | 0 | 0 | 113.9 | ||||
| 987 | E | 30.5 | Very low | 32 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | 103.5 | 143.9 | 52 | -85.7 | -163.1 | 108.6 | 0 | 0 | 111.6 | |||||
| 988 | P | 30.9 | Very low | 32 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -104.9 | 143.6 | -160.9 | 38.2 | -32.5 | 0 | 0 | 0 | 115.3 | ||||
| 989 | A | 32.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -148.5 | 147.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 990 | G | 28.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | cis | 169.5 | 22.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 991 | A | 33.5 | Very low | 32 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | trans | -158.1 | 140.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 992 | N | 31.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | cis | 127.6 | 146.9 | 8.3 | -89 | -21.7 | 0 | 0 | 0 | 108.3 | ||||
| 993 | S | 34.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 71.3 | 119.8 | -165.8 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 994 | N | 33.3 | Very low | 31.3 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | 63.8 | 134.3 | 28.5 | -54.3 | 1 | 0 | 0 | 0 | 112.8 | ||||
| 995 | D | 34.7 | Very low | 31.3 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 48% | 0.481 | 76% | 0.762 | S | S | . | * | cis | -131.5 | 159.7 | 12.9 | -81.9 | -58.4 | 0 | 0 | 0 | 111 | Q1034 | D995-Q1034 VanDerWaalsContact CG-NE2 3.34Å; D995-Q1034 PolarHBondContact OD2-NE2 3.36Å | ||
| 996 | S | 35.3 | Very low | 31 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 53% | 0.531 | 76% | 0.76 | S | S | . | * | cis | 91 | 140 | 27.1 | 102.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 997 | N | 33.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 73.7 | 151.7 | 174.8 | -45.5 | -48.7 | 0 | 0 | 0 | 116.5 | ||||
| 998 | T | 32 | Very low | 30.8 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -154.9 | -173 | -14.6 | 17.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 999 | E | 30.5 | Very low | 30.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | cis | -157.2 | 166.7 | 19.8 | -145 | 123.3 | -103.6 | 0 | 0 | 112.4 | ||||
| 1000 | F | 26.6 | Very low | 30.5 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -76.9 | 146.9 | 165.1 | -104.7 | -120.2 | 0 | 0 | 0 | 110.8 | ||||
| 1001 | L | 29.8 | Very low | 30.6 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | -148.5 | 116.7 | 146.8 | -116.4 | 171 | 0 | 0 | 0 | 110.5 | ||||
| 1002 | Q | 26.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -74.8 | 129.9 | 163.4 | -65.8 | 171.3 | -74.3 | 0 | 0 | 108.3 | ||||
| 1003 | Q | 31.6 | Very low | 30.4 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | -154.8 | 134.9 | 151.4 | -115.5 | 159.1 | 33 | 0 | 0 | 110.8 | ||||
| 1004 | N | 25.8 | Very low | 30.3 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -64.3 | 143.1 | 168.2 | -60.6 | -33.5 | 0 | 0 | 0 | 108.9 | ||||
| 1005 | N | 31.4 | Very low | 30.2 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -160.8 | 132.6 | 131.7 | -97.9 | -34.1 | 0 | 0 | 0 | 110.8 | ||||
| 1006 | S | 25 | Very low | 30.2 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 148.2 | 166.8 | -47.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1007 | Y | 29.1 | Very low | 30.1 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 86% | 0.863 | 77% | 0.769 | S | S | * | * | trans | -151.3 | 155.4 | 139.5 | -108.5 | -69.4 | 0 | 0 | 0 | 111 | ||||
| 1008 | Q | 29.3 | Very low | 30.2 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -89.6 | 163.8 | -162.7 | -61.9 | 138.3 | -72.9 | 0 | 0 | 113.4 | ||||
| 1009 | R | 23.5 | Very low | 30.3 | Very low | 224 Ų | 224 | 150.9 Ų | 150.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -57.4 | 152.4 | 154.9 | -62.8 | -177.6 | -177.5 | 175.2 | 0.9 | 109.5 | ||||
| 1010 | P | 33.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -133 | 169.7 | 108.4 | 37.2 | -29.5 | 0 | 0 | 0 | 113.8 | |||||
| 1011 | N | 31.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -87.9 | 177.7 | 175.1 | -52.4 | -29.1 | 0 | 0 | 0 | 111.1 | ||||
| 1012 | N | 31.9 | Very low | 31 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 74.4 | 153.1 | 157.6 | -58.2 | -10.7 | 0 | 0 | 0 | 116.1 | ||||
| 1013 | V | 30.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | cis | -166.4 | 159.6 | -12.6 | 125 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1014 | L | 31.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 60.9 | 112.6 | 163.6 | -107.7 | 73.9 | 0 | 0 | 0 | 122.6 | ||||
| 1015 | I | 30.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 3.2 | 151.6 | 116.2 | -27.6 | 163.6 | 0 | 0 | 0 | 118 | |||||
| 1016 | P | 36.2 | Very low | 31.8 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | cis | -133.6 | -170.2 | -13.7 | 28.5 | -4.2 | 0 | 0 | 0 | 116.5 | ||||
| 1017 | S | 33.1 | Very low | 32.1 | Very low | 97 Ų | 97 | 154 Ų | 154 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 99.7 | 101 | 141.2 | -60.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1018 | T | 33.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 34.7 | 129.2 | 131.6 | 60.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1019 | V | 34.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | -171.4 | 172.4 | 112.9 | 143.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1020 | K | 33.4 | Very low | 33.1 | Very low | 174 Ų | 174 | 149 Ų | 149 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | -97.1 | 171.6 | -161.8 | -55.7 | 171.3 | 176.6 | 170.6 | 0 | 115.5 | ||||
| 1021 | Q | 35.4 | Very low | 33 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 72.9 | 149.5 | 151.4 | -76.9 | 159.6 | -25.9 | 0 | 0 | 118.1 | ||||
| 1022 | S | 32.5 | Very low | 33.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | cis | -166.5 | 170.6 | -20.5 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1023 | N | 34.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | 85.2 | 115.3 | 155.4 | -57.1 | -14.3 | 0 | 0 | 0 | 121.7 | ||||
| 1024 | H | 32.4 | Very low | 33.3 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 5.7 | 145.9 | 145.5 | -61.7 | -73.5 | 0 | 0 | 0 | 123.2 | ||||
| 1025 | V | 33.1 | Very low | 33.5 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | -170.1 | 161.8 | 99.8 | 147.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1026 | R | 33.1 | Very low | 33.6 | Very low | 237 Ų | 237 | 157.6 Ų | 157.6 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -54.6 | 164.1 | -164 | -59.9 | 166.3 | 177.7 | 170.3 | -1.4 | 120.4 | ||||
| 1027 | K | 30.3 | Very low | 33.5 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -96.7 | 168.1 | 161.4 | -63.6 | -176.1 | 177.9 | -176.7 | 0 | 112.6 | ||||
| 1028 | P | 36.4 | Very low | 33.6 | Very low | 131 Ų | 131 | 161.7 Ų | 161.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -134.5 | -179.8 | 134.3 | 32.8 | -16.9 | 0 | 0 | 0 | 114.9 | ||||
| 1029 | K | 30.5 | Very low | 33.6 | Very low | 202 Ų | 202 | 167.6 Ų | 167.6 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -124.2 | 152.5 | 178 | -67.4 | 178.5 | 175 | -179.3 | 0 | 111.4 | ||||
| 1030 | I | 35.3 | Very low | 33.4 | Very low | 170 Ų | 170 | 170.1 Ų | 170.1 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -142.2 | 160.2 | 155.5 | -62.6 | -172.5 | 0 | 0 | 0 | 109.4 | ||||
| 1031 | Q | 31.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 174.1 Ų | 174.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -126 | 160.4 | -179.7 | -58.6 | 171 | -64.6 | 0 | 0 | 111.9 | ||||
| 1032 | S | 33.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 175.1 Ų | 175.1 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | 152.2 | 147.7 | 104.1 | 63.3 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1033 | K | 35 | Very low | 33.1 | Very low | 207 Ų | 207 | 177.7 Ų | 177.7 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | 77.8 | 161.5 | 149.7 | -81.7 | -179.1 | 174.6 | -178 | 0 | 122.2 | ||||
| 1034 | Q | 32.7 | Very low | 32.9 | Very low | 125 Ų | 125 | 182.3 Ų | 182.3 | 58% | 0.584 | 84% | 0.84 | S | S | * | * | trans | -127.8 | 166.5 | -156.7 | -54.9 | 161.5 | -45.8 | 0 | 0 | 112.1 | D995 | D995-Q1034 VanDerWaalsContact CG-NE2 3.34Å; D995-Q1034 PolarHBondContact OD2-NE2 3.36Å | ||
| 1035 | L | 34.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 179.5 Ų | 179.5 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -149.5 | 172 | 141.8 | -138.6 | 87.5 | 0 | 0 | 0 | 110.9 | ||||
| 1036 | Y | 33.2 | Very low | 32.8 | Very low | 187 Ų | 187 | 179.1 Ų | 179.1 | 73% | 0.733 | 84% | 0.836 | S | S | * | * | trans | -150.3 | 132.9 | -156.7 | -157.3 | -72.9 | 0 | 0 | 0 | 112.2 | K1038 | Y1036-K1038 HydrophobicContact CE1-CG 4.33Š| ||
| 1037 | D | 34.4 | Very low | 32.9 | Very low | 142 Ų | 142 | 172.7 Ų | 172.7 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | -154.9 | 170.2 | 151.8 | -155 | 9.4 | 0 | 0 | 0 | 113.4 | ||||
| 1038 | K | 33.8 | Very low | 32.7 | Very low | 150 Ų | 150 | 171.8 Ų | 171.8 | 65% | 0.652 | 82% | 0.824 | S | S | * | * | trans | -116.1 | 153.3 | -160.4 | -53.3 | 135.1 | -178 | 160.4 | 0 | 112.6 | Y1036 | Y1036-K1038 HydrophobicContact CE1-CG 4.33Š| ||
| 1039 | R | 34.6 | Very low | 32.3 | Very low | 254 Ų | 254 | 171.6 Ų | 171.6 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | -159.2 | 151.7 | 128.9 | -106.1 | 152.9 | -154.9 | -142.6 | 4.1 | 112.1 | |||||
| 1040 | K | 31 | Very low | 32.2 | Very low | 197 Ų | 197 | 166.8 Ų | 166.8 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -106.1 | 150.9 | -172.3 | -58.2 | 174.2 | -180 | 176.6 | 0 | 111.1 | ||||
| 1041 | R | 32.2 | Very low | 32.1 | Very low | 257 Ų | 257 | 165.7 Ų | 165.7 | 97% | 0.97 | 82% | 0.823 | S | S | * | * | trans | -143.4 | 157.9 | 139.6 | -110 | 173.3 | -176.8 | 179.7 | -0 | 110.1 | ||||
| 1042 | K | 30.1 | Very low | 32 | Very low | 199 Ų | 199 | 164 Ų | 164 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -115.1 | 147.3 | -168.7 | -63.5 | 177.9 | 177.2 | 179.8 | 0 | 111.5 | ||||
| 1043 | T | 33.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 163.1 Ų | 163.1 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -136.8 | 158.3 | 147.3 | 21.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1044 | R | 30.4 | Very low | 31.7 | Very low | 238 Ų | 238 | 160.5 Ų | 160.5 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -99 | 149.2 | -169 | -73.2 | 174.6 | 166.4 | 161.8 | -7.8 | 112.5 | ||||
| 1045 | P | 31.6 | Very low | 31.7 | Very low | 122 Ų | 122 | 161 Ų | 161 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -82.9 | 164.8 | 155.1 | 36.6 | -33.5 | 0 | 0 | 0 | 111.5 | ||||
| 1046 | V | 31.5 | Very low | 31.3 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -138.5 | 136 | 168.7 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1047 | P | 34.8 | Very low | 31.3 | Very low | 102 Ų | 102 | 155.2 Ų | 155.2 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | trans | -100.4 | 176.3 | -175.6 | 40.5 | -36.4 | 0 | 0 | 0 | 113.8 | ||||
| 1048 | E | 27.4 | Very low | 31 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 47.1 | 132.3 | 151.2 | -71.5 | 174 | 130.1 | 0 | 0 | 121.2 | ||||
| 1049 | C | 27.8 | Very low | 30.7 | Very low | 127 Ų | 127 | 155 Ų | 155 | 86% | 0.858 | 82% | 0.822 | S | S | * | * | trans | -144.6 | 119.2 | 143.8 | -84.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1050 | A | 27.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 156.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1051 | V | 33.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -128.9 | 134.3 | 167.6 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1052 | D | 30 | Very low | 30.3 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -124.7 | 148 | -166.5 | -161.9 | -4.8 | 0 | 0 | 0 | 110.2 | ||||
| 1053 | S | 31.1 | Very low | 30.1 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 135.9 | 159.8 | 74.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1054 | N | 30.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 42.8 | 107.3 | 135.2 | -58.8 | -15.4 | 0 | 0 | 0 | 121.1 | ||||
| 1055 | V | 32.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -133.4 | 122.4 | 142.9 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | V1057 | V1055-V1057 HydrophobicContact CG1-CG2 3.71Š| ||
| 1056 | S | 26.2 | Very low | 30 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -113.7 | 115 | 170.1 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1057 | V | 32.2 | Very low | 30.2 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -135.3 | 140.3 | -179.4 | 170.3 | 0 | 0 | 0 | 0 | 107.4 | V1055 | V1055-V1057 HydrophobicContact CG1-CG2 3.71Š| ||
| 1058 | P | 29.1 | Very low | 30.1 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -104.4 | 173.1 | -133.2 | 38.4 | -37 | 0 | 0 | 0 | 115.6 | I1060 | P1058-I1060 HydrophobicContact CG-CD1 4.32Å; P1058-I1060 HydrophobicContact CG-CG1 3.97Å; P1058-I1060 PolarHBondContact O-N 2.82Å | ||
| 1059 | E | 26.8 | Very low | 30.5 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -47.6 | 117.2 | 151.7 | -179.8 | 174.8 | -136.5 | 0 | 0 | 110.4 | ||||
| 1060 | I | 31 | Very low | 30.8 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 62% | 0.621 | 77% | 0.765 | S | S | * | * | trans | -130 | 101.6 | 169.4 | -52.4 | -177.6 | 0 | 0 | 0 | 108.5 | P1058 I1062 | P1058-I1060 HydrophobicContact CG-CD1 4.32Å; P1058-I1060 HydrophobicContact CG-CG1 3.97Å; P1058-I1060 PolarHBondContact O-N 2.82Å; I1060-I1062 HydrophobicContact CG2-CD1 4.19Å; I1060-I1062 HydrophobicContact CG2-CG1 3.65Å | ||
| 1061 | S | 26.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 120.7 | 159.3 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1062 | I | 32 | Very low | 31 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 68% | 0.677 | 76% | 0.762 | S | S | * | * | trans | -113.3 | 107.6 | 168 | -53.8 | -175.3 | 0 | 0 | 0 | 107.6 | I1060 I1064 | I1060-I1062 HydrophobicContact CG2-CD1 4.19Å; I1060-I1062 HydrophobicContact CG2-CG1 3.65Å; I1062-I1064 HydrophobicContact CG2-CG1 4.17Å | ||
| 1063 | P | 27 | Very low | 31.3 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -73.6 | 140 | 163.2 | 32 | -31.6 | 0 | 0 | 0 | 109.1 | ||||
| 1064 | I | 34.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -126.9 | 130.6 | 160.8 | -62 | -176.9 | 0 | 0 | 0 | 106.3 | I1062 | I1062-I1064 HydrophobicContact CG2-CG1 4.17Š| ||
| 1065 | D | 32.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -71.9 | 163 | -164.5 | -73.4 | -72 | 0 | 0 | 0 | 115.1 | ||||
| 1066 | R | 26.1 | Very low | 31.9 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 156.3 | 158.8 | -71.1 | 172.5 | 169.2 | 168 | -2.5 | 110.2 | N1068 | R1066-N1068 WeakPolarHBondContact CD-OD1 3.17Š| ||
| 1067 | P | 35.7 | Very low | 32.2 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | -107.2 | 138.3 | 105.3 | -15.9 | 31.4 | 0 | 0 | 0 | 112.1 | |||||
| 1068 | N | 32 | Very low | 32.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | trans | -77 | 135.2 | 149.8 | -70.4 | -1.7 | 0 | 0 | 0 | 106 | R1066 | R1066-N1068 WeakPolarHBondContact CD-OD1 3.17Š| ||
| 1069 | E | 35.7 | Very low | 33.1 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -139.6 | 113.9 | 148.2 | -139.4 | 166.9 | -163.7 | 0 | 0 | 108.1 | ||||
| 1070 | E | 33.4 | Very low | 33.6 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -77.1 | 139.1 | 172.4 | -63.8 | 159.5 | 120.2 | 0 | 0 | 107.8 | ||||
| 1071 | N | 34.8 | Very low | 33.6 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -164 | 153.8 | 140.3 | -104.6 | -57.5 | 0 | 0 | 0 | 111.8 | ||||
| 1072 | E | 31.5 | Very low | 34.1 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -80.6 | 166.3 | -177.1 | -55.5 | 169.6 | 107.7 | 0 | 0 | 111.7 | ||||
| 1073 | I | 35.5 | Very low | 34.2 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | 174 | 126.9 | 119.6 | -87.9 | 155.7 | 0 | 0 | 0 | 111.8 | |||||
| 1074 | A | 34.2 | Very low | 34.5 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | 35.8 | 123.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1075 | H | 35.1 | Very low | 34.4 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | 28.4 | 152.9 | 106.8 | -78.4 | -50.5 | 0 | 0 | 0 | 121.5 | |||||
| 1076 | P | 37.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | cis | -137.6 | 177.6 | 29.8 | 40.7 | -22.3 | 0 | 0 | 0 | 117.6 | ||||
| 1077 | Q | 32.3 | Very low | 34.9 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | -86.5 | 175.6 | 162.7 | -67 | -172.2 | -18.3 | 0 | 0 | 111.5 | ||||
| 1078 | P | 46.2 | Very low | 35 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -114.9 | 125.8 | 136 | 33.7 | -27.3 | 0 | 0 | 0 | 112.4 | ||||
| 1079 | E | 34.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | -81.6 | 151.5 | 162.7 | -70 | -167.8 | 108.7 | 0 | 0 | 111.3 | ||||
| 1080 | N | 38.3 | Very low | 35.2 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 169.7 | 107.4 | 147.9 | -88.5 | -34.3 | 0 | 0 | 0 | 106.8 | ||||
| 1081 | R | 31.4 | Very low | 35.4 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | cis | 81.3 | 135.3 | 28.4 | -149.5 | -179 | -171.9 | 171.9 | 3.2 | 113.8 | ||||
| 1082 | V | 35.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 76.5 | 145.5 | 174.9 | -168.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1083 | S | 33.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -173.9 | 134 | -41.4 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1084 | G | 33.5 | Very low | 35.4 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | 64.3 | -175.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1085 | S | 33.5 | Very low | 35.5 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -162.8 | 139.1 | -21.2 | -167 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1086 | Q | 34.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 63 | 166.7 | 158.8 | -71.6 | 167.7 | -85.5 | 0 | 0 | 116 | ||||
| 1087 | D | 34.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | cis | -151.9 | 175.6 | -11 | -134.3 | -52.1 | 0 | 0 | 0 | 109.6 | ||||
| 1088 | L | 37 | Very low | 35.5 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 162.2 | 162.6 | -61 | 158.2 | 0 | 0 | 0 | 117.8 | ||||
| 1089 | R | 35.1 | Very low | 34.9 | Very low | 210 Ų | 210 | 130.5 Ų | 130.5 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | -169.3 | 156.7 | -51.2 | -120.2 | -171 | -163.2 | 165.5 | 2.2 | 108.3 | |||||
| 1090 | N | 36.3 | Very low | 35 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | 74.8 | 138.4 | 146.7 | -86.6 | 54 | 0 | 0 | 0 | 123.1 | ||||
| 1091 | D | 37.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | 85.8 | 86.4 | 137.7 | -62.8 | -32.5 | 0 | 0 | 0 | 123.8 | ||||
| 1092 | S | 35.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 93.2 | 135.5 | 102.9 | -70.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1093 | N | 37.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 73.6 | 73.7 | 146.5 | -60 | -20.5 | 0 | 0 | 0 | 122.4 | ||||
| 1094 | G | 30.6 | Very low | 35.5 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | 73.2 | -166.4 | 110.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1095 | I | 35 | Very low | 35.5 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | 85.3 | 143.3 | -178.3 | -54.8 | 176.5 | 0 | 0 | 0 | 116 | ||||
| 1096 | S | 32.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -96.4 | 177.6 | -164.1 | -40.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1097 | P | 34.2 | Very low | 35.5 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -86.2 | 161.7 | -160.2 | 35.9 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 1098 | P | 38.2 | Very low | 35.6 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -90.3 | 152.2 | 171.2 | 36.3 | -33.7 | 0 | 0 | 0 | 113.2 | ||||
| 1099 | S | 33.4 | Very low | 35.5 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 131.3 | 156.6 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1100 | Y | 37.4 | Very low | 35.5 | Very low | 217 Ų | 217 | 141.1 Ų | 141.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -171.6 | 150.4 | 169.6 | -115.5 | -148.6 | 0 | 0 | 0 | 106.7 | ||||
| 1101 | D | 40.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | cis | -154.2 | 163 | -2.8 | -146 | 4.6 | 0 | 0 | 0 | 110 | ||||
| 1102 | D | 34.1 | Very low | 35.4 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -76.3 | 151.1 | 162 | -85.7 | -54.6 | 0 | 0 | 0 | 109.9 | ||||
| 1103 | L | 37.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | 175.5 | 145.5 | 141.6 | -96.7 | 159.7 | 0 | 0 | 0 | 115.4 | ||||
| 1104 | V | 37.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | trans | 64.5 | 94.1 | 155.5 | -175.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1105 | Q | 34.4 | Very low | 35.5 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 11.8 | 148.1 | 124.8 | -65.4 | 173.6 | -35.7 | 0 | 0 | 122 | |||||
| 1106 | S | 34.6 | Very low | 35.6 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 89.3 | 73.6 | 147.1 | 73.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1107 | K | 32.9 | Very low | 35.9 | Very low | 282 Ų | 282 | 152.5 Ų | 152.5 | 100% | 1.226 | 82% | 0.816 | S | S | * | * | -156.5 | 0 | 102.9 | -118.1 | 175.5 | -179.6 | 175.8 | 0 | 113.2 |
Retrieved 1,107 of 1,107 residues in 1678.9 ms
(Link to these results)