| 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 | 40.8 | Very low | 65.3 | Low | 229 Ų | 229 | 120.5 Ų | 120.5 | 100% | 1.128 | 62% | 0.623 | S | S | * | * | 0 | 143.4 | 0 | -73.7 | 178.5 | -167.2 | 0 | 0 | 108.6 | S3 | M1-S3 PolarHBondContact O-N 3.18Š| |||
| 2 | R | 51.4 | Low | 66.7 | Low | 236 Ų | 236 | 116 Ų | 116 | 89% | 0.891 | 61% | 0.61 | S | S | * | * | trans | -51.6 | 125.7 | 167.8 | -77.6 | 174.4 | 171.1 | 171.1 | -4 | 107.7 | I4 | R2-I4 VanDerWaalsContact C-N 3.25Å; R2-I4 PolarHBondContact O-N 2.88Å | ||
| 3 | S | 58 | Low | 67.9 | Low | 87 Ų | 87 | 114 Ų | 114 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -61.7 | 93.2 | 170.2 | 172 | 0 | 0 | 0 | 0 | 107.4 | M1 F5 | M1-S3 PolarHBondContact O-N 3.18Å; S3-F5 PolarHBondContact O-N 2.9Å | ||
| 4 | I | 56.6 | Low | 69.1 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | trans | -70.1 | 95.2 | 167.7 | -57.1 | 170 | 0 | 0 | 0 | 103.2 | R2 S6 | R2-I4 VanDerWaalsContact C-N 3.25Å; R2-I4 PolarHBondContact O-N 2.88Å; I4-S6 PolarHBondContact O-N 3.29Å | ||
| 5 | F | 57.5 | Low | 70.2 | Confident | 80 Ų | 80 | 115.2 Ų | 115.2 | 35% | 0.351 | 59% | 0.592 | S | S | . | * | trans | -48 | 122.7 | 162.1 | -75.2 | -86.7 | 0 | 0 | 0 | 105.8 | S3 S7 Q9 L10 F426 | S3-F5 PolarHBondContact O-N 2.9Å; F5-S7 PolarHBondContact O-N 3.3Å; F5-Q9 HydrophobicContact CD1-CB 4.46Å; F5-L10 HydrophobicContact CB-CD1 4Å; F5-L10 HydrophobicContact CB-CD2 3.83Å; F5-L10 HydrophobicContact CB-CG 3.58Å; F5-L10 HydrophobicContact CD2-CD2 4.26Å; F5-L10 HydrophobicContact CG-CD2 4.07Å; F5-L10 HydrophobicContact CG-CG 4.36Å; F5-F426 AromaticContact CE1-CE1 3.87Å; F5-F426 HydrophobicContact CE1-CE1 3.87Å; F5-F426 AromaticContact CZ-CE1 3.72Å; F5-F426 HydrophobicContact CZ-CE1 3.72Å; F5-F426 HydrophobicContact CZ-CZ 4.45Å | ||
| 6 | S | 68.1 | Low | 71 | Confident | 60 Ų | 60 | 112.8 Ų | 112.8 | 42% | 0.42 | 58% | 0.584 | S | S | . | * | trans | -49.3 | 135 | 173.4 | 169.6 | 0 | 0 | 0 | 0 | 107.1 | I4 V8 Q9 L10 | I4-S6 PolarHBondContact O-N 3.29Å; S6-V8 PolarHBondContact O-N 3.46Å; S6-Q9 WeakPolarHBondContact O-CA 3.46Å; S6-Q9 WeakPolarHBondContact O-CB 3.34Å; S6-Q9 PolarHBondContact O-N 3.5Å; S6-L10 PolarHBondContact O-N 2.93Å | ||
| 7 | S | 72.4 | Confident | 71.6 | Confident | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -47.4 | -33.4 | -179.1 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | F5 L10 I11 | F5-S7 PolarHBondContact O-N 3.3Å; S7-L10 PolarHBondContact O-N 2.87Å; S7-I11 WeakPolarHBondContact O-CB 3.45Å; S7-I11 WeakPolarHBondContact O-CD1 3.37Å; S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 PolarHBondContact O-N 3.18Å |
| 8 | V | 74.7 | Confident | 71.9 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 61% | 0.606 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.1 | -42.4 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | S6 S12 | S6-V8 PolarHBondContact O-N 3.46Å; V8-S12 VanDerWaalsContact O-CB 3.27Å; V8-S12 WeakPolarHBondContact O-CB 3.45Å; V8-S12 PolarHBondContact O-N 3.36Å |
| 9 | Q | 76.7 | Confident | 72.1 | Confident | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.3 | -38 | 178.8 | -71.1 | -179.6 | -22.9 | 0 | 0 | 111.9 | F5 S6 S12 L13 | F5-Q9 HydrophobicContact CD1-CB 4.46Å; S6-Q9 WeakPolarHBondContact O-CA 3.46Å; S6-Q9 WeakPolarHBondContact O-CB 3.34Å; S6-Q9 PolarHBondContact O-N 3.5Å; Q9-S12 PolarHBondContact O-N 3.39Å; Q9-L13 WeakPolarHBondContact O-CB 3.29Å; Q9-L13 PolarHBondContact O-N 3.46Å |
| 10 | L | 80.8 | Confident | 72.2 | Confident | 91 Ų | 91 | 107 Ų | 107 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -42.6 | 175 | -70.5 | 171.6 | 0 | 0 | 0 | 111.5 | F5 S6 S7 L13 Y14 | F5-L10 HydrophobicContact CB-CD1 4Å; F5-L10 HydrophobicContact CB-CD2 3.83Å; F5-L10 HydrophobicContact CB-CG 3.58Å; F5-L10 HydrophobicContact CD2-CD2 4.26Å; F5-L10 HydrophobicContact CG-CD2 4.07Å; F5-L10 HydrophobicContact CG-CG 4.36Å; S6-L10 PolarHBondContact O-N 2.93Å; S7-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 2.87Å; L10-Y14 VanDerWaalsContact O-CB 3.25Å; L10-Y14 WeakPolarHBondContact O-CB 3.36Å; L10-Y14 PolarHBondContact O-N 2.98Å |
| 11 | I | 81.3 | Confident | 72.3 | Confident | 102 Ų | 102 | 108.7 Ų | 108.7 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -44.9 | 175.5 | -67.6 | 162.7 | 0 | 0 | 0 | 110.1 | S7 Y14 L15 | S7-I11 WeakPolarHBondContact O-CB 3.45Å; S7-I11 WeakPolarHBondContact O-CD1 3.37Å; S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 PolarHBondContact O-N 3.18Å; I11-Y14 PolarHBondContact O-N 3.49Å; I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.32Å; I11-L15 PolarHBondContact O-N 3.3Å |
| 12 | S | 82.2 | Confident | 73.8 | Confident | 66 Ų | 66 | 105.4 Ų | 105.4 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.6 | -179 | 0 | 0 | 0 | 0 | 111.8 | V8 Q9 Y14 L15 V16 | V8-S12 VanDerWaalsContact O-CB 3.27Å; V8-S12 WeakPolarHBondContact O-CB 3.45Å; V8-S12 PolarHBondContact O-N 3.36Å; Q9-S12 PolarHBondContact O-N 3.39Å; S12-Y14 PolarHBondContact O-N 3.24Å; S12-L15 PolarHBondContact O-N 3.08Å; S12-V16 VanDerWaalsContact O-CG2 3.28Å; S12-V16 WeakPolarHBondContact O-CG2 3.33Å; S12-V16 PolarHBondContact O-N 2.98Å |
| 13 | L | 82.5 | Confident | 74.5 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.5 | -174.2 | 68.9 | 0 | 0 | 0 | 111.4 | Q9 L10 V16 V17 | Q9-L13 WeakPolarHBondContact O-CB 3.29Å; Q9-L13 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 2.87Å; L13-V16 PolarHBondContact O-N 3.31Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 2.93Å |
| 14 | Y | 84.4 | Confident | 75.1 | Confident | 153 Ų | 153 | 99.3 Ų | 99.3 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177.3 | -179.1 | -98.4 | 0 | 0 | 0 | 111.9 | L10 I11 S12 V16 V17 N18 | L10-Y14 VanDerWaalsContact O-CB 3.25Å; L10-Y14 WeakPolarHBondContact O-CB 3.36Å; L10-Y14 PolarHBondContact O-N 2.98Å; I11-Y14 PolarHBondContact O-N 3.49Å; S12-Y14 PolarHBondContact O-N 3.24Å; Y14-V16 PolarHBondContact O-N 2.93Å; Y14-V17 PolarHBondContact O-N 3.3Å; Y14-N18 VanDerWaalsContact CD1-ND2 3.34Å; Y14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; Y14-N18 WeakPolarHBondContact CD2-ND2 3.38Å; Y14-N18 WeakPolarHBondContact CE1-ND2 3.37Å; Y14-N18 WeakPolarHBondContact CE2-ND2 3.18Å; Y14-N18 PolarHBondContact O-N 3.11Å; Y14-N18 PolarHBondContact O-ND2 3.48Å |
| 15 | L | 84.9 | Confident | 75.5 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 176.1 | -73.6 | 171.5 | 0 | 0 | 0 | 111.1 | I11 S12 V17 N18 L19 | I11-L15 HydrophobicContact CG2-CD1 3.91Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.32Å; I11-L15 PolarHBondContact O-N 3.3Å; S12-L15 PolarHBondContact O-N 3.08Å; L15-V17 PolarHBondContact O-N 2.9Å; L15-N18 PolarHBondContact O-N 3.44Å; L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.44Å |
| 16 | V | 83.4 | Confident | 76.1 | Confident | 77 Ų | 77 | 93.2 Ų | 93.2 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | S12 L13 Y14 L19 T20 | S12-V16 VanDerWaalsContact O-CG2 3.28Å; S12-V16 WeakPolarHBondContact O-CG2 3.33Å; S12-V16 PolarHBondContact O-N 2.98Å; L13-V16 PolarHBondContact O-N 3.31Å; Y14-V16 PolarHBondContact O-N 2.93Å; V16-L19 PolarHBondContact O-N 3.33Å; V16-T20 HydrophobicContact CG1-CG2 4.37Å; V16-T20 WeakPolarHBondContact O-CB 3.2Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.43Å; V16-T20 PolarHBondContact O-N 2.52Å; V16-T20 PolarHBondContact O-OG1 3.4Å |
| 17 | V | 81.9 | Confident | 76 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L13 Y14 L15 T20 F21 | L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 2.93Å; Y14-V17 PolarHBondContact O-N 3.3Å; L15-V17 PolarHBondContact O-N 2.9Å; V17-T20 WeakPolarHBondContact CA-OG1 3.24Å; V17-T20 PolarHBondContact O-N 3.41Å; V17-T20 PolarHBondContact O-OG1 3.34Å; V17-F21 VanDerWaalsContact O-CB 3.26Å; V17-F21 WeakPolarHBondContact O-CB 3.42Å; V17-F21 PolarHBondContact O-N 2.84Å |
| 18 | N | 75.8 | Confident | 75.7 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 177.9 | -77.8 | -79.3 | 0 | 0 | 0 | 112.6 | Y14 L15 K22 | Y14-N18 VanDerWaalsContact CD1-ND2 3.34Å; Y14-N18 WeakPolarHBondContact CD1-ND2 3.31Å; Y14-N18 WeakPolarHBondContact CD2-ND2 3.38Å; Y14-N18 WeakPolarHBondContact CE1-ND2 3.37Å; Y14-N18 WeakPolarHBondContact CE2-ND2 3.18Å; Y14-N18 PolarHBondContact O-N 3.11Å; Y14-N18 PolarHBondContact O-ND2 3.48Å; L15-N18 PolarHBondContact O-N 3.44Å; N18-K22 VanDerWaalsContact O-CB 3.25Å; N18-K22 WeakPolarHBondContact O-CB 3.38Å; N18-K22 PolarHBondContact O-N 3.46Å |
| 19 | L | 76.7 | Confident | 75.4 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 176.1 | -80.4 | 158.6 | 0 | 0 | 0 | 111.2 | L15 V16 Y23 | L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 3.33Å; L19-Y23 VanDerWaalsContact O-CB 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.26Å; L19-Y23 PolarHBondContact O-N 3.48Å |
| 20 | T | 74.3 | Confident | 75.3 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 177.4 | 50 | 0 | 0 | 0 | 0 | 111.8 | V16 V17 Y23 L24 | V16-T20 HydrophobicContact CG1-CG2 4.37Å; V16-T20 WeakPolarHBondContact O-CB 3.2Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.43Å; V16-T20 PolarHBondContact O-N 2.52Å; V16-T20 PolarHBondContact O-OG1 3.4Å; V17-T20 WeakPolarHBondContact CA-OG1 3.24Å; V17-T20 PolarHBondContact O-N 3.41Å; V17-T20 PolarHBondContact O-OG1 3.34Å; T20-Y23 PolarHBondContact O-N 2.87Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.14Å; T20-L24 PolarHBondContact O-N 2.94Å |
| 21 | F | 73.2 | Confident | 74.9 | Confident | 142 Ų | 142 | 83.5 Ų | 83.5 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.8 | -48.6 | 175.5 | -173.2 | -97.7 | 0 | 0 | 0 | 112 | V17 Y23 L24 D25 | V17-F21 VanDerWaalsContact O-CB 3.26Å; V17-F21 WeakPolarHBondContact O-CB 3.42Å; V17-F21 PolarHBondContact O-N 2.84Å; F21-Y23 VanDerWaalsContact C-N 3.25Å; F21-Y23 PolarHBondContact O-N 3.23Å; F21-L24 PolarHBondContact O-N 3.46Å; F21-D25 WeakPolarHBondContact O-CB 3.37Å; F21-D25 PolarHBondContact O-N 2.87Å |
| 22 | K | 71.9 | Confident | 74.3 | Confident | 161 Ų | 161 | 78.9 Ų | 78.9 | 70% | 0.7 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.4 | -36.4 | 175.7 | -172.9 | 175.1 | -178.6 | 177.1 | 0 | 111.9 | N18 C26 | N18-K22 VanDerWaalsContact O-CB 3.25Å; N18-K22 WeakPolarHBondContact O-CB 3.38Å; N18-K22 PolarHBondContact O-N 3.46Å; K22-C26 VanDerWaalsContact O-CB 3.25Å; K22-C26 WeakPolarHBondContact O-CB 3.29Å; K22-C26 PolarHBondContact O-N 3.23Å |
| 23 | Y | 67.6 | Low | 73.8 | Confident | 110 Ų | 110 | 76 Ų | 76 | 43% | 0.431 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 176.5 | 179.2 | -90.7 | 0 | 0 | 0 | 112.3 | L19 T20 F21 C26 Q27 | L19-Y23 VanDerWaalsContact O-CB 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.26Å; L19-Y23 PolarHBondContact O-N 3.48Å; T20-Y23 PolarHBondContact O-N 2.87Å; F21-Y23 VanDerWaalsContact C-N 3.25Å; F21-Y23 PolarHBondContact O-N 3.23Å; Y23-C26 PolarHBondContact O-N 3.5Å; Y23-Q27 PolarHBondContact O-N 2.92Å |
| 24 | L | 69.3 | Low | 73.1 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 45% | 0.445 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 179.6 | -70.6 | 171.9 | 0 | 0 | 0 | 112.2 | T20 F21 C26 Q27 H28 | T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.14Å; T20-L24 PolarHBondContact O-N 2.94Å; F21-L24 PolarHBondContact O-N 3.46Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 3.26Å; L24-Q27 PolarHBondContact O-N 2.85Å; L24-H28 WeakPolarHBondContact O-CB 3.47Å; L24-H28 PolarHBondContact O-N 3.49Å |
| 25 | D | 66.7 | Low | 72.2 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.9 | -170 | 40.6 | 0 | 0 | 0 | 111.9 | F21 S29 | F21-D25 WeakPolarHBondContact O-CB 3.37Å; F21-D25 PolarHBondContact O-N 2.87Å; D25-S29 WeakPolarHBondContact O-CB 3.21Å; D25-S29 PolarHBondContact O-N 3.49Å; D25-S29 PolarHBondContact O-OG 3.5Å |
| 26 | C | 68.6 | Low | 71.4 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -46.9 | 175 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | K22 Y23 L24 H28 S29 C30 P192 C193 G194 | K22-C26 VanDerWaalsContact O-CB 3.25Å; K22-C26 WeakPolarHBondContact O-CB 3.29Å; K22-C26 PolarHBondContact O-N 3.23Å; Y23-C26 PolarHBondContact O-N 3.5Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 3.26Å; C26-H28 PolarHBondContact O-N 2.97Å; C26-S29 PolarHBondContact O-N 2.9Å; C26-C30 PolarHBondContact O-N 3.35Å; C26-C30 VanDerWaalsContact O-N 3.11Å; C26-C30 PolarHBondContact O-SG 2.98Å; C26-P192 PolarHBondContact SG-O 2.85Å; C26-C193 VanDerWaalsContact SG-CA 3.58Å; C26-G194 PolarHBondContact SG-N 3.2Å |
| 27 | Q | 66.3 | Low | 70.7 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 178.5 | -173.2 | 177.2 | -31.6 | 0 | 0 | 111.7 | Y23 L24 S29 C30 E31 | Y23-Q27 PolarHBondContact O-N 2.92Å; L24-Q27 PolarHBondContact O-N 2.85Å; Q27-S29 PolarHBondContact O-N 3.34Å; Q27-C30 PolarHBondContact O-N 2.83Å; Q27-E31 PolarHBondContact NE2-OE1 2.85Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.13Å; Q27-E31 PolarHBondContact O-N 3.45Å; Q27-E31 VanDerWaalsContact O-N 3.09Å |
| 28 | H | 67.4 | Low | 70.3 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 39% | 0.394 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.8 | -172.4 | 61.6 | 0 | 0 | 0 | 112 | L24 C26 C30 E31 L32 | L24-H28 WeakPolarHBondContact O-CB 3.47Å; L24-H28 PolarHBondContact O-N 3.49Å; C26-H28 PolarHBondContact O-N 2.97Å; H28-C30 VanDerWaalsContact C-N 3.26Å; H28-C30 PolarHBondContact O-N 3.42Å; H28-E31 PolarHBondContact O-N 2.9Å; H28-L32 WeakPolarHBondContact O-CG 3.49Å; H28-L32 PolarHBondContact O-N 2.6Å |
| 29 | S | 67.9 | Low | 70.5 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 176 | -62.8 | 0 | 0 | 0 | 0 | 112 | D25 C26 Q27 I33 Y54 | D25-S29 WeakPolarHBondContact O-CB 3.21Å; D25-S29 PolarHBondContact O-N 3.49Å; D25-S29 PolarHBondContact O-OG 3.5Å; C26-S29 PolarHBondContact O-N 2.9Å; Q27-S29 PolarHBondContact O-N 3.34Å; S29-I33 VanDerWaalsContact O-CD1 3.26Å; S29-I33 WeakPolarHBondContact O-CD1 3.47Å; S29-I33 WeakPolarHBondContact O-CG1 3.35Å; S29-I33 PolarHBondContact O-N 2.84Å; S29-I33 VanDerWaalsContact O-N 3.11Å; S29-Y54 PolarHBondContact O-OH 3.28Å |
| 30 | C | 74.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.034 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.3 | -37.7 | 179.9 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | C26 Q27 H28 I33 D34 C193 R199 | C26-C30 PolarHBondContact O-N 3.35Å; C26-C30 VanDerWaalsContact O-N 3.11Å; C26-C30 PolarHBondContact O-SG 2.98Å; Q27-C30 PolarHBondContact O-N 2.83Å; H28-C30 VanDerWaalsContact C-N 3.26Å; H28-C30 PolarHBondContact O-N 3.42Å; C30-I33 PolarHBondContact O-N 2.91Å; C30-D34 PolarHBondContact O-N 3.35Å; C30-C193 HydrophobicContact CB-CB 3.98Å; C30-C193 WeakPolarHBondContact CB-SG 3.12Å; C30-C193 WeakPolarHBondContact SG-CA 3.46Å; C30-C193 WeakPolarHBondContact SG-CB 3.05Å; C30-C193 CovalentContact SG-SG 2.02Å; C30-C193 PolarHBondContact SG-SG 2.87Å; C30-R199 HydrophobicContact CB-CG 4.45Å |
| 31 | E | 72.1 | Confident | 71 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 172.9 | -70.9 | 171.5 | -167.7 | 0 | 0 | 111.1 | Q27 H28 I33 D34 L35 | Q27-E31 PolarHBondContact NE2-OE1 2.85Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.13Å; Q27-E31 PolarHBondContact O-N 3.45Å; Q27-E31 VanDerWaalsContact O-N 3.09Å; H28-E31 PolarHBondContact O-N 2.9Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 3.5Å; E31-D34 PolarHBondContact O-N 3.48Å; E31-L35 WeakPolarHBondContact O-CG 3.33Å; E31-L35 PolarHBondContact O-N 3.45Å |
| 32 | L | 69.1 | Low | 71.4 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 176.3 | -72.7 | 172.9 | 0 | 0 | 0 | 113.1 | H28 L35 K36 Y54 | H28-L32 WeakPolarHBondContact O-CG 3.49Å; H28-L32 PolarHBondContact O-N 2.6Å; L32-L35 PolarHBondContact O-N 3.36Å; L32-K36 VanDerWaalsContact O-CB 3.26Å; L32-K36 WeakPolarHBondContact O-CB 3.47Å; L32-K36 WeakPolarHBondContact O-CG 3.26Å; L32-K36 PolarHBondContact O-N 2.86Å; L32-Y54 HydrophobicContact CB-CE2 3.64Å; L32-Y54 HydrophobicContact CD1-CE2 4.46Å |
| 33 | I | 70.9 | Confident | 71.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.4 | -70.1 | 157.9 | 0 | 0 | 0 | 110.9 | S29 C30 E31 L35 K36 K37 Y54 I191 R199 I201 | S29-I33 VanDerWaalsContact O-CD1 3.26Å; S29-I33 WeakPolarHBondContact O-CD1 3.47Å; S29-I33 WeakPolarHBondContact O-CG1 3.35Å; S29-I33 PolarHBondContact O-N 2.84Å; S29-I33 VanDerWaalsContact O-N 3.11Å; C30-I33 PolarHBondContact O-N 2.91Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 3.5Å; I33-L35 PolarHBondContact O-N 2.99Å; I33-K36 PolarHBondContact O-N 3.36Å; I33-K37 WeakPolarHBondContact O-CB 3.29Å; I33-K37 PolarHBondContact O-N 3.47Å; I33-Y54 HydrophobicContact CB-CE1 4.46Å; I33-Y54 HydrophobicContact CD1-CD1 4.46Å; I33-Y54 HydrophobicContact CD1-CE1 3.88Å; I33-Y54 HydrophobicContact CG1-CD1 3.54Å; I33-Y54 HydrophobicContact CG1-CE1 3.17Å; I33-Y54 HydrophobicContact CG1-CG 4.36Å; I33-I191 HydrophobicContact CD1-CB 3.99Å; I33-I191 HydrophobicContact CD1-CD1 3.31Å; I33-I191 HydrophobicContact CD1-CG1 4.22Å; I33-I191 HydrophobicContact CD1-CG2 3.74Å; I33-I191 HydrophobicContact CG1-CD1 4.09Å; I33-R199 HydrophobicContact CG2-CB 4.29Å; I33-I201 HydrophobicContact CD1-CD1 4.46Å; I33-I201 HydrophobicContact CG1-CD1 4.08Å; I33-I201 HydrophobicContact CG2-CD1 3.67Å; I33-I201 HydrophobicContact CG2-CG1 3.71Å |
| 34 | D | 69.4 | Low | 72.9 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 180 | -77.7 | -19.8 | 0 | 0 | 0 | 111.6 | C30 E31 R199 | C30-D34 PolarHBondContact O-N 3.35Å; E31-D34 PolarHBondContact O-N 3.48Å; D34-R199 VanDerWaalsContact CG-CZ 3.44Å; D34-R199 IonicContact OD1-CZ 3.21Å; D34-R199 IonicContact OD1-NE 3.15Å; D34-R199 IonicContact OD1-NH1 2.71Å; D34-R199 PolarHBondContact OD1-NH1 2.84Å; D34-R199 IonicContact OD1-NH2 3.9Å; D34-R199 IonicContact OD2-CZ 2.88Å; D34-R199 IonicContact OD2-NE 2.72Å; D34-R199 IonicContact OD2-NH1 2.89Å; D34-R199 PolarHBondContact OD2-NH1 2.85Å; D34-R199 IonicContact OD2-NH2 2.74Å; D34-R199 PolarHBondContact OD2-NH2 2.88Å |
| 35 | L | 65.4 | Low | 73.7 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -77 | -36.9 | 177.4 | -64.3 | 173 | 0 | 0 | 0 | 113.2 | E31 L32 I33 E399 | E31-L35 WeakPolarHBondContact O-CG 3.33Å; E31-L35 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.36Å; I33-L35 PolarHBondContact O-N 2.99Å; L35-E399 WeakPolarHBondContact CD2-OE1 3.26Å |
| 36 | K | 67.6 | Low | 74.7 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -113.7 | 16.1 | -168.1 | -59.2 | -174.6 | -177.8 | -177 | 0 | 114.8 | L32 I33 E38 Y54 P225 N228 | L32-K36 VanDerWaalsContact O-CB 3.26Å; L32-K36 WeakPolarHBondContact O-CB 3.47Å; L32-K36 WeakPolarHBondContact O-CG 3.26Å; L32-K36 PolarHBondContact O-N 2.86Å; I33-K36 PolarHBondContact O-N 3.36Å; K36-E38 PolarHBondContact O-N 3.42Å; K36-Y54 HydrophobicContact CB-CD2 3.92Å; K36-Y54 HydrophobicContact CD-CD2 4.11Å; K36-Y54 HydrophobicContact CD-CE2 4.37Å; K36-P225 PolarHBondContact NZ-O 3.24Å; K36-N228 WeakPolarHBondContact CE-OD1 3.47Å; K36-N228 PolarHBondContact NZ-OD1 3.04Å |
| 37 | K | 68.8 | Low | 75.8 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | trans | -63.9 | -17.9 | 177.7 | 64.4 | -177.3 | 179.6 | -175 | 0 | 114 | I33 | I33-K37 WeakPolarHBondContact O-CB 3.29Å; I33-K37 PolarHBondContact O-N 3.47Å | ||
| 38 | E | 73.6 | Confident | 76.9 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 67% | 0.673 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -75.7 | 141.6 | -176.4 | -60.9 | -168.3 | 170.4 | 0 | 0 | 112.2 | K36 K40 | K36-E38 PolarHBondContact O-N 3.42Å; E38-K40 PolarHBondContact O-N 3.26Å |
| 39 | R | 80.2 | Confident | 78 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 25% | 0.253 | 30% | 0.304 | S | S | . | . | trans | -65 | 122.3 | 173.4 | -175 | -172.3 | -101 | 125.2 | 9.9 | 108.3 | P41 Y53 E58 F204 | R39-P41 WeakPolarHBondContact O-CD 3.43Å; R39-Y53 HydrophobicContact CB-CD1 4.33Å; R39-Y53 HydrophobicContact CB-CE1 3.45Å; R39-Y53 VanDerWaalsContact CB-CE1 3.45Å; R39-Y53 HydrophobicContact CB-CE2 4.29Å; R39-Y53 VanDerWaalsContact CB-CZ 3.45Å; R39-Y53 WeakPolarHBondContact CB-OH 3.33Å; R39-Y53 WeakPolarHBondContact CD-OH 3.32Å; R39-Y53 HydrophobicContact CG-CE1 3.94Å; R39-Y53 HydrophobicContact CG-CE2 3.81Å; R39-Y53 VanDerWaalsContact CG-CZ 3.44Å; R39-Y53 WeakPolarHBondContact CG-OH 3.18Å; R39-Y53 PolarHBondContact NE-OH 3.33Å; R39-Y53 PolarHBondContact NH1-OH 2.93Å; R39-Y53 PolarHBondContact NH2-OH 3.38Å; R39-E58 IonicContact CZ-OE1 3.75Å; R39-E58 IonicContact CZ-OE2 2.88Å; R39-E58 IonicContact NE-OE2 2.71Å; R39-E58 PolarHBondContact NE-OE2 3.49Å; R39-E58 IonicContact NH2-OE1 2.69Å; R39-E58 PolarHBondContact NH2-OE1 3.09Å; R39-E58 IonicContact NH2-OE2 2.79Å; R39-E58 PolarHBondContact NH2-OE2 3.48Å; R39-E58 VanDerWaalsContact NH2-OE2 3.11Å; R39-F204 PolarHBondContact NH1-O 2.92Å; R39-F204 PolarHBondContact NH2-O 3.01Å | ||
| 40 | K | 80.5 | Confident | 79.1 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 106.4 | 171.7 | -61.4 | -163.9 | 177.9 | -174.7 | 0 | 110.1 | E38 S51 H52 A249 H250 M251 | E38-K40 PolarHBondContact O-N 3.26Å; K40-S51 CarbonylContact O-C 3.54Å; K40-S51 VanDerWaalsContact O-CA 3.3Å; K40-S51 WeakPolarHBondContact O-CA 3.15Å; K40-H52 PolarHBondContact N-O 3.27Å; K40-H52 PolarHBondContact O-N 2.82Å; K40-A249 HydrophobicContact CB-CB 4.24Å; K40-A249 HydrophobicContact CD-CB 4.32Å; K40-A249 WeakPolarHBondContact CD-O 3.45Å; K40-A249 WeakPolarHBondContact CE-O 3.27Å; K40-A249 PolarHBondContact NZ-O 3Å; K40-H250 PolarHBondContact NZ-O 3.17Å; K40-M251 HydrophobicContact CD-SD 4.26Å |
| 41 | P | 80.5 | Confident | 79.8 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.2 | 175.7 | 29.3 | -32.9 | 0 | 0 | 0 | 109.7 | R39 | R39-P41 WeakPolarHBondContact O-CD 3.43Å |
| 42 | V | 80.9 | Confident | 80.3 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -47.1 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 110 | Y50 H52 A249 | V42-Y50 HydrophobicContact CB-CD1 3.75Å; V42-Y50 HydrophobicContact CB-CE1 4.43Å; V42-Y50 HydrophobicContact CG1-CD1 3.93Å; V42-Y50 HydrophobicContact CG1-CE1 4.44Å; V42-Y50 HydrophobicContact CG2-CD1 4.02Å; V42-Y50 HydrophobicContact CG2-CE1 4.29Å; V42-Y50 PolarHBondContact N-O 3.09Å; V42-H52 WeakPolarHBondContact CG2-CD2 3.48Å; V42-A249 HydrophobicContact CG2-CB 4.16Å |
| 43 | L | 83.1 | Confident | 80.8 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.199 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 135.5 | -176.7 | -147 | 71.8 | 0 | 0 | 0 | 109.5 | Y48 R49 Y50 F263 V270 | L43-Y48 HydrophobicContact CB-CE2 4.03Å; L43-Y48 HydrophobicContact CD2-CE2 3.57Å; L43-Y48 WeakPolarHBondContact CD2-OH 3.45Å; L43-Y48 HydrophobicContact CG-CE2 3.77Å; L43-R49 CarbonylContact O-C 3.59Å; L43-Y50 PolarHBondContact N-O 3.14Å; L43-Y50 PolarHBondContact O-N 3.32Å; L43-F263 HydrophobicContact CD2-CD2 4.47Å; L43-F263 HydrophobicContact CD2-CE1 4.44Å; L43-F263 HydrophobicContact CD2-CE2 3.59Å; L43-F263 HydrophobicContact CD2-CZ 3.58Å; L43-V270 HydrophobicContact CD1-CG2 4.41Å |
| 44 | E | 88 | Confident | 81 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.1 | 177.1 | -173 | 170.2 | 159.5 | 0 | 0 | 109.5 | R49 R208 W209 | E44-R49 HydrophobicContact CB-CG 4.25Å; E44-R49 HydrophobicContact CG-CB 4.38Å; E44-R49 HydrophobicContact CG-CG 4.08Å; E44-R208 IonicContact OE1-CZ 3.48Å; E44-R208 VanDerWaalsContact OE1-CZ 3.23Å; E44-R208 IonicContact OE1-NH1 3.11Å; E44-R208 PolarHBondContact OE1-NH1 3.39Å; E44-R208 IonicContact OE1-NH2 3.45Å; E44-R208 PolarHBondContact OE1-NH2 3.13Å; E44-R208 IonicContact OE2-NH2 3.18Å; E44-W209 HydrophobicContact CG-CH2 4.4Å; E44-W209 HydrophobicContact CG-CZ2 3.98Å |
| 45 | G | 87.4 | Confident | 81.6 | Confident | 22 Ų | 22 | 57 Ų | 57 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | trans | -135.5 | -168.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W47 Y48 W209 | G45-W47 VanDerWaalsContact C-N 3.35Å; G45-W47 PolarHBondContact O-N 3.43Å; G45-Y48 PolarHBondContact N-O 3.19Å; G45-W209 VanDerWaalsContact O-CH2 3.27Å; G45-W209 WeakPolarHBondContact O-CH2 3.12Å | ||
| 46 | D | 88.1 | Confident | 82.7 | Confident | 127 Ų | 127 | 52.1 Ų | 52.1 | 68% | 0.679 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -74.1 | -24.4 | -174.6 | -66.5 | -29.8 | 0 | 0 | 0 | 114.4 | ||
| 47 | W | 89.8 | Confident | 83.7 | Confident | 159 Ų | 159 | 50.9 Ų | 50.9 | 60% | 0.602 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -121 | -3.7 | -175 | 22.3 | 81.6 | 0 | 0 | 0 | 113.9 | G45 L62 | G45-W47 VanDerWaalsContact C-N 3.35Å; G45-W47 PolarHBondContact O-N 3.43Å; W47-L62 HydrophobicContact CB-CB 4.44Å; W47-L62 WeakPolarHBondContact O-CB 3.47Å; W47-L62 WeakPolarHBondContact O-CG 3.49Å; W47-L62 PolarHBondContact O-N 3.28Å |
| 48 | Y | 90.9 | Very high | 84.8 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153 | 179.6 | 74.3 | -86.9 | 0 | 0 | 0 | 112.1 | L43 G45 I60 W209 F263 | L43-Y48 HydrophobicContact CB-CE2 4.03Å; L43-Y48 HydrophobicContact CD2-CE2 3.57Å; L43-Y48 WeakPolarHBondContact CD2-OH 3.45Å; L43-Y48 HydrophobicContact CG-CE2 3.77Å; G45-Y48 PolarHBondContact N-O 3.19Å; Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.37Å; Y48-W209 WeakPolarHBondContact O-CH2 3.35Å; Y48-F263 HydrophobicContact CD2-CE2 4.36Å; Y48-F263 AromaticContact CD2-CZ 3.87Å; Y48-F263 HydrophobicContact CD2-CZ 3.87Å; Y48-F263 HydrophobicContact CE2-CE2 4.09Å; Y48-F263 AromaticContact CE2-CZ 3.8Å; Y48-F263 HydrophobicContact CE2-CZ 3.8Å |
| 49 | R | 90.6 | Very high | 85.7 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 4% | 0.038 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136 | 167.8 | -173.3 | -179.7 | 70 | 175.5 | 1.1 | 109.9 | L43 E44 E58 A59 I60 W209 | L43-R49 CarbonylContact O-C 3.59Å; E44-R49 HydrophobicContact CB-CG 4.25Å; E44-R49 HydrophobicContact CG-CB 4.38Å; E44-R49 HydrophobicContact CG-CG 4.08Å; R49-E58 IonicContact CZ-OE2 3.17Å; R49-E58 IonicContact NE-OE2 3.87Å; R49-E58 IonicContact NH2-OE1 2.73Å; R49-E58 IonicContact NH2-OE2 3.79Å; R49-E58 PolarHBondContact NH2-OE2 3.01Å; R49-A59 CarbonylContact O-C 3.54Å; R49-A59 WeakPolarHBondContact O-CA 3.46Å; R49-I60 HydrophobicContact CB-CB 4.31Å; R49-I60 PolarHBondContact N-O 2.98Å; R49-I60 PolarHBondContact O-N 2.86Å; R49-W209 HydrophobicContact CB-CH2 3.77Å; R49-W209 HydrophobicContact CB-CZ2 3.73Å; R49-W209 HydrophobicContact CB-CZ3 4.21Å; R49-W209 HydrophobicContact CG-CZ2 4.38Å |
| 50 | Y | 90.3 | Very high | 86.3 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.1 | 173.4 | -170.3 | -116.7 | 0 | 0 | 0 | 109.7 | V42 L43 H52 S57 E58 A59 F263 K264 | V42-Y50 HydrophobicContact CB-CD1 3.75Å; V42-Y50 HydrophobicContact CB-CE1 4.43Å; V42-Y50 HydrophobicContact CG1-CD1 3.93Å; V42-Y50 HydrophobicContact CG1-CE1 4.44Å; V42-Y50 HydrophobicContact CG2-CD1 4.02Å; V42-Y50 HydrophobicContact CG2-CE1 4.29Å; V42-Y50 PolarHBondContact N-O 3.09Å; L43-Y50 PolarHBondContact N-O 3.14Å; L43-Y50 PolarHBondContact O-N 3.32Å; Y50-H52 AromaticContact CE1-CE1 3.63Å; Y50-H52 AromaticContact CE1-NE2 3.42Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.48Å; Y50-H52 AromaticContact CZ-CE1 3.6Å; Y50-H52 AromaticContact CZ-NE2 3.89Å; Y50-H52 PolarHBondContact OH-CE1 3.11Å; Y50-S57 WeakPolarHBondContact OH-CB 3.45Å; Y50-S57 PolarHBondContact OH-OG 3.49Å; Y50-E58 WeakPolarHBondContact CA-O 3.32Å; Y50-E58 WeakPolarHBondContact CD2-O 3.26Å; Y50-A59 HydrophobicContact CD2-CB 4Å; Y50-A59 HydrophobicContact CE2-CB 4.48Å; Y50-F263 HydrophobicContact CD1-CE1 4.43Å; Y50-F263 HydrophobicContact CG-CE1 4.11Å; Y50-K264 HydrophobicContact CE1-CG 4.3Å; Y50-K264 WeakPolarHBondContact OH-CE 3.23Å |
| 51 | S | 88 | Confident | 87 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155 | -177.4 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | K40 S57 E58 | K40-S51 CarbonylContact O-C 3.54Å; K40-S51 VanDerWaalsContact O-CA 3.3Å; K40-S51 WeakPolarHBondContact O-CA 3.15Å; S51-S57 CarbonylContact O-C 3.47Å; S51-S57 WeakPolarHBondContact O-CA 3.42Å; S51-E58 PolarHBondContact N-O 2.86Å; S51-E58 PolarHBondContact O-N 3.44Å |
| 52 | H | 84.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.7 | 171.6 | -67.4 | -70.6 | 0 | 0 | 0 | 111.5 | K40 V42 Y50 S57 M251 | K40-H52 PolarHBondContact N-O 3.27Å; K40-H52 PolarHBondContact O-N 2.82Å; V42-H52 WeakPolarHBondContact CG2-CD2 3.48Å; Y50-H52 AromaticContact CE1-CE1 3.63Å; Y50-H52 AromaticContact CE1-NE2 3.42Å; Y50-H52 WeakPolarHBondContact CE1-NE2 3.48Å; Y50-H52 AromaticContact CZ-CE1 3.6Å; Y50-H52 AromaticContact CZ-NE2 3.89Å; Y50-H52 PolarHBondContact OH-CE1 3.11Å; H52-S57 WeakPolarHBondContact ND1-CB 3.31Å; H52-M251 HydrophobicContact CB-CE 4.03Å; H52-M251 HydrophobicContact CB-SD 3.32Å; H52-M251 WeakPolarHBondContact CB-SD 3.31Å |
| 53 | Y | 78.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.9 | 168.5 | -74.1 | -76.2 | 0 | 0 | 0 | 107.4 | R39 Y55 Y56 E58 V203 | R39-Y53 HydrophobicContact CB-CD1 4.33Å; R39-Y53 HydrophobicContact CB-CE1 3.45Å; R39-Y53 VanDerWaalsContact CB-CE1 3.45Å; R39-Y53 HydrophobicContact CB-CE2 4.29Å; R39-Y53 VanDerWaalsContact CB-CZ 3.45Å; R39-Y53 WeakPolarHBondContact CB-OH 3.33Å; R39-Y53 WeakPolarHBondContact CD-OH 3.32Å; R39-Y53 HydrophobicContact CG-CE1 3.94Å; R39-Y53 HydrophobicContact CG-CE2 3.81Å; R39-Y53 VanDerWaalsContact CG-CZ 3.44Å; R39-Y53 WeakPolarHBondContact CG-OH 3.18Å; R39-Y53 PolarHBondContact NE-OH 3.33Å; R39-Y53 PolarHBondContact NH1-OH 2.93Å; R39-Y53 PolarHBondContact NH2-OH 3.38Å; Y53-Y55 VanDerWaalsContact C-N 3.3Å; Y53-Y55 CarbonylContact O-C 3.55Å; Y53-Y55 PolarHBondContact O-N 3.19Å; Y53-Y56 CarbonylContact C-O 3.58Å; Y53-Y56 WeakPolarHBondContact CA-O 3.39Å; Y53-Y56 WeakPolarHBondContact CB-O 3.49Å; Y53-Y56 PolarHBondContact N-O 3.17Å; Y53-Y56 CarbonylContact O-C 3.58Å; Y53-Y56 PolarHBondContact O-N 3.29Å; Y53-E58 HydrophobicContact CD2-CB 4.13Å; Y53-E58 HydrophobicContact CE2-CB 4.14Å; Y53-V203 HydrophobicContact CD1-CG2 3.67Å; Y53-V203 HydrophobicContact CD2-CG1 4.02Å; Y53-V203 HydrophobicContact CD2-CG2 4.3Å; Y53-V203 HydrophobicContact CE1-CB 4.41Å; Y53-V203 HydrophobicContact CE1-CG1 4.04Å; Y53-V203 HydrophobicContact CE1-CG2 3.75Å; Y53-V203 HydrophobicContact CE2-CG1 3.48Å; Y53-V203 VanDerWaalsContact CE2-CG1 3.48Å; Y53-V203 HydrophobicContact CE2-CG2 4.37Å; Y53-V203 HydrophobicContact CG-CG1 4.46Å; Y53-V203 HydrophobicContact CG-CG2 3.91Å; Y53-V203 VanDerWaalsContact CZ-CG1 3.45Å |
| 54 | Y | 75.7 | Confident | 89 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -15 | -62.4 | -180 | -173.2 | -124.6 | 0 | 0 | 0 | 117.3 | S29 L32 I33 K36 I201 P225 | S29-Y54 PolarHBondContact O-OH 3.28Å; L32-Y54 HydrophobicContact CB-CE2 3.64Å; L32-Y54 HydrophobicContact CD1-CE2 4.46Å; I33-Y54 HydrophobicContact CB-CE1 4.46Å; I33-Y54 HydrophobicContact CD1-CD1 4.46Å; I33-Y54 HydrophobicContact CD1-CE1 3.88Å; I33-Y54 HydrophobicContact CG1-CD1 3.54Å; I33-Y54 HydrophobicContact CG1-CE1 3.17Å; I33-Y54 HydrophobicContact CG1-CG 4.36Å; K36-Y54 HydrophobicContact CB-CD2 3.92Å; K36-Y54 HydrophobicContact CD-CD2 4.11Å; K36-Y54 HydrophobicContact CD-CE2 4.37Å; Y54-I201 HydrophobicContact CD1-CD1 4.18Å; Y54-P225 WeakPolarHBondContact O-CB 3.34Å; Y54-P225 WeakPolarHBondContact O-CG 3.49Å |
| 55 | Y | 81.1 | Confident | 89.2 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 7% | 0.071 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -7.5 | 177.2 | -80.2 | -70.7 | 0 | 0 | 0 | 116.5 | Y53 F91 I191 F220 L221 | Y53-Y55 VanDerWaalsContact C-N 3.3Å; Y53-Y55 CarbonylContact O-C 3.55Å; Y53-Y55 PolarHBondContact O-N 3.19Å; Y55-F91 AromaticContact CD2-CD1 3.58Å; Y55-F91 HydrophobicContact CD2-CD1 3.58Å; Y55-F91 HydrophobicContact CD2-CE1 4.25Å; Y55-F91 HydrophobicContact CE2-CD1 4.28Å; Y55-F91 HydrophobicContact CG-CD1 4.29Å; Y55-I191 HydrophobicContact CD2-CD1 4.47Å; Y55-I191 HydrophobicContact CE2-CD1 4.12Å; Y55-F220 AromaticContact CD1-CE2 3.6Å; Y55-F220 HydrophobicContact CD1-CE2 3.6Å; Y55-F220 HydrophobicContact CD1-CZ 4.18Å; Y55-F220 HydrophobicContact CE1-CE2 4.39Å; Y55-F220 HydrophobicContact CG-CE2 4.12Å; Y55-L221 PolarHBondContact O-N 3.48Å |
| 56 | Y | 88.5 | Confident | 89.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.5 | -170.3 | -68.6 | -85 | 0 | 0 | 0 | 112 | Y53 F90 F91 I167 F187 E219 F220 | Y53-Y56 CarbonylContact C-O 3.58Å; Y53-Y56 WeakPolarHBondContact CA-O 3.39Å; Y53-Y56 WeakPolarHBondContact CB-O 3.49Å; Y53-Y56 PolarHBondContact N-O 3.17Å; Y53-Y56 CarbonylContact O-C 3.58Å; Y53-Y56 PolarHBondContact O-N 3.29Å; Y56-F90 WeakPolarHBondContact OH-CD2 3.31Å; Y56-F91 HydrophobicContact CD2-CE1 4.29Å; Y56-F91 HydrophobicContact CD2-CZ 4.41Å; Y56-F91 HydrophobicContact CE2-CD1 4.08Å; Y56-F91 HydrophobicContact CE2-CD2 4.13Å; Y56-F91 HydrophobicContact CE2-CE1 4.06Å; Y56-F91 HydrophobicContact CE2-CE2 4.11Å; Y56-F91 HydrophobicContact CE2-CG 4.15Å; Y56-F91 HydrophobicContact CE2-CZ 4.11Å; Y56-F91 PolarHBondContact OH-N 3.11Å; Y56-F91 VanDerWaalsContact OH-N 3.07Å; Y56-I167 HydrophobicContact CE1-CD1 3.87Å; Y56-F187 HydrophobicContact CD1-CZ 4.44Å; Y56-F187 HydrophobicContact CD2-CE1 4.05Å; Y56-F187 AromaticContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CE1-CZ 4.32Å; Y56-F187 HydrophobicContact CE2-CE1 4.03Å; Y56-F187 AromaticContact CE2-CZ 3.67Å; Y56-F187 HydrophobicContact CE2-CZ 3.67Å; Y56-F187 HydrophobicContact CG-CZ 4.22Å; Y56-F187 AromaticContact CZ-CZ 3.95Å; Y56-E219 CarbonylContact C-O 3.55Å; Y56-E219 VanDerWaalsContact CA-O 3.23Å; Y56-E219 WeakPolarHBondContact CA-O 3.37Å; Y56-F220 HydrophobicContact CD1-CB 4.35Å; Y56-F220 HydrophobicContact CE1-CB 3.95Å; Y56-F220 HydrophobicContact CE1-CD2 4.12Å |
| 57 | S | 88.7 | Confident | 89.6 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.5 | 156.9 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | Y50 S51 H52 Y218 E219 | Y50-S57 WeakPolarHBondContact OH-CB 3.45Å; Y50-S57 PolarHBondContact OH-OG 3.49Å; S51-S57 CarbonylContact O-C 3.47Å; S51-S57 WeakPolarHBondContact O-CA 3.42Å; H52-S57 WeakPolarHBondContact ND1-CB 3.31Å; S57-Y218 VanDerWaalsContact O-CA 3.27Å; S57-Y218 WeakPolarHBondContact O-CA 3.27Å; S57-E219 PolarHBondContact N-O 3.42Å; S57-E219 PolarHBondContact O-N 3.25Å |
| 58 | E | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.8 | 174 | -178.5 | -166 | -107.3 | 0 | 0 | 108.6 | R39 R49 Y50 S51 Y53 I60 V216 E217 Y218 | R39-E58 IonicContact CZ-OE1 3.75Å; R39-E58 IonicContact CZ-OE2 2.88Å; R39-E58 IonicContact NE-OE2 2.71Å; R39-E58 PolarHBondContact NE-OE2 3.49Å; R39-E58 IonicContact NH2-OE1 2.69Å; R39-E58 PolarHBondContact NH2-OE1 3.09Å; R39-E58 IonicContact NH2-OE2 2.79Å; R39-E58 PolarHBondContact NH2-OE2 3.48Å; R39-E58 VanDerWaalsContact NH2-OE2 3.11Å; R49-E58 IonicContact CZ-OE2 3.17Å; R49-E58 IonicContact NE-OE2 3.87Å; R49-E58 IonicContact NH2-OE1 2.73Å; R49-E58 IonicContact NH2-OE2 3.79Å; R49-E58 PolarHBondContact NH2-OE2 3.01Å; Y50-E58 WeakPolarHBondContact CA-O 3.32Å; Y50-E58 WeakPolarHBondContact CD2-O 3.26Å; S51-E58 PolarHBondContact N-O 2.86Å; S51-E58 PolarHBondContact O-N 3.44Å; Y53-E58 HydrophobicContact CD2-CB 4.13Å; Y53-E58 HydrophobicContact CE2-CB 4.14Å; E58-I60 HydrophobicContact CG-CG1 4.13Å; E58-V216 HydrophobicContact CG-CG1 4.16Å; E58-E217 CarbonylContact C-O 3.56Å; E58-E217 WeakPolarHBondContact CA-O 3.47Å; E58-Y218 HydrophobicContact CB-CD1 4.01Å; E58-Y218 HydrophobicContact CB-CE1 3.73Å; E58-Y218 HydrophobicContact CG-CD1 4.31Å; E58-Y218 HydrophobicContact CG-CE1 3.71Å; E58-Y218 PolarHBondContact OE1-OH 2.96Å |
| 59 | A | 92.7 | Very high | 88.8 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | R49 Y50 V216 E217 | R49-A59 CarbonylContact O-C 3.54Å; R49-A59 WeakPolarHBondContact O-CA 3.46Å; Y50-A59 HydrophobicContact CD2-CB 4Å; Y50-A59 HydrophobicContact CE2-CB 4.48Å; A59-V216 CarbonylContact O-C 3.57Å; A59-V216 WeakPolarHBondContact O-CA 3.27Å; A59-E217 HydrophobicContact CB-CB 4.35Å; A59-E217 PolarHBondContact N-O 2.76Å; A59-E217 PolarHBondContact O-N 2.77Å |
| 60 | I | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126 | 169.9 | -55 | -168.1 | 0 | 0 | 0 | 107.5 | Y48 R49 E58 L62 V205 W209 T214 L215 V216 | Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.37Å; R49-I60 HydrophobicContact CB-CB 4.31Å; R49-I60 PolarHBondContact N-O 2.98Å; R49-I60 PolarHBondContact O-N 2.86Å; E58-I60 HydrophobicContact CG-CG1 4.13Å; I60-L62 HydrophobicContact CG2-CD2 4.31Å; I60-V205 HydrophobicContact CD1-CG1 3.84Å; I60-W209 HydrophobicContact CB-CE3 4.21Å; I60-W209 HydrophobicContact CD1-CB 4Å; I60-W209 HydrophobicContact CD1-CD2 4.4Å; I60-W209 HydrophobicContact CD1-CG 3.98Å; I60-W209 HydrophobicContact CG2-CB 3.99Å; I60-W209 HydrophobicContact CG2-CD2 4.04Å; I60-W209 HydrophobicContact CG2-CE3 3.55Å; I60-W209 HydrophobicContact CG2-CG 4.22Å; I60-W209 HydrophobicContact CG2-CZ3 4.38Å; I60-T214 HydrophobicContact CG2-CG2 4.07Å; I60-L215 WeakPolarHBondContact CA-O 3.45Å; I60-V216 HydrophobicContact CD1-CG2 4.37Å; I60-V216 HydrophobicContact CG1-CG1 4.26Å; I60-V216 HydrophobicContact CG1-CG2 4.13Å; I60-V216 HydrophobicContact CG2-CG2 4.33Å |
| 61 | L | 95.1 | Very high | 88.3 | Confident | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.5 | -178.5 | -61.5 | 164.8 | 0 | 0 | 0 | 108.7 | Q64 T214 L215 | L61-Q64 HydrophobicContact CB-CG 3.6Å; L61-T214 WeakPolarHBondContact O-CA 3.03Å; L61-L215 HydrophobicContact CB-CB 4.42Å; L61-L215 PolarHBondContact N-O 3.32Å; L61-L215 PolarHBondContact O-N 2.83Å |
| 62 | L | 95.2 | Very high | 88.5 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -102.6 | 156.5 | -179.4 | -55.7 | -179.8 | 0 | 0 | 0 | 110.6 | W47 I60 Q64 W209 R211 G213 T214 | W47-L62 HydrophobicContact CB-CB 4.44Å; W47-L62 WeakPolarHBondContact O-CB 3.47Å; W47-L62 WeakPolarHBondContact O-CG 3.49Å; W47-L62 PolarHBondContact O-N 3.28Å; I60-L62 HydrophobicContact CG2-CD2 4.31Å; L62-Q64 VanDerWaalsContact C-N 3.28Å; L62-Q64 PolarHBondContact O-N 3.4Å; L62-Q64 PolarHBondContact O-NE2 3.33Å; L62-W209 HydrophobicContact CD1-CE3 3.55Å; L62-W209 HydrophobicContact CD1-CZ3 3.53Å; L62-W209 HydrophobicContact CD2-CE3 4.07Å; L62-W209 VanDerWaalsContact CD2-O 3.3Å; L62-W209 WeakPolarHBondContact CD2-O 3.42Å; L62-W209 HydrophobicContact CG-CE3 3.97Å; L62-W209 HydrophobicContact CG-CZ3 4.05Å; L62-R211 HydrophobicContact CD2-CG 4.07Å; L62-G213 CarbonylContact C-O 3.16Å; L62-T214 HydrophobicContact CD2-CG2 3.86Å; L62-T214 WeakPolarHBondContact CD2-OG1 3.43Å |
| 63 | N | 94.7 | Very high | 89.1 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 58.7 | 34.6 | 179.8 | -51.2 | -31.7 | 0 | 0 | 0 | 114.1 | G213 | N63-G213 PolarHBondContact N-O 2.84Š|
| 64 | Q | 95.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 149.9 | 175.9 | -57.3 | -53.5 | -60 | 0 | 0 | 110.9 | L61 L62 Y170 G213 L215 | L61-Q64 HydrophobicContact CB-CG 3.6Å; L62-Q64 VanDerWaalsContact C-N 3.28Å; L62-Q64 PolarHBondContact O-N 3.4Å; L62-Q64 PolarHBondContact O-NE2 3.33Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y170 PolarHBondContact O-OH 2.93Å; Q64-G213 PolarHBondContact N-O 3.44Å; Q64-G213 WeakPolarHBondContact O-CA 3.26Å; Q64-L215 HydrophobicContact CB-CB 3.94Å; Q64-L215 HydrophobicContact CB-CD2 4.45Å; Q64-L215 HydrophobicContact CG-CB 3.8Å; Q64-L215 HydrophobicContact CG-CD2 4.35Å |
| 65 | S | 94.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 157.2 | 166.2 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 66 | S | 92.5 | Very high | 91.6 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.9 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I68 Y170 | S66-I68 PolarHBondContact O-N 3.47Å; S66-I68 PolarHBondContact OG-N 2.62Å; S66-I68 PolarHBondContact OG-O 3.26Å; S66-Y170 PolarHBondContact N-OH 3.37Å |
| 67 | P | 89.8 | Confident | 92 | Very high | 54 Ų | 54 | 67.4 Ų | 67.4 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -71.2 | -11.5 | 176.4 | 29.2 | -33.9 | 0 | 0 | 0 | 112.3 | L168 L215 | P67-L168 HydrophobicContact CB-CD2 4.29Å; P67-L168 HydrophobicContact CG-CD2 4.46Å; P67-L215 HydrophobicContact CG-CD1 4.08Å |
| 68 | I | 85.9 | Confident | 92.3 | Very high | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | trans | -108.5 | 109.5 | -177.5 | -53.9 | -174.3 | 0 | 0 | 0 | 109.7 | S66 K71 F73 A139 T158 L160 | S66-I68 PolarHBondContact O-N 3.47Å; S66-I68 PolarHBondContact OG-N 2.62Å; S66-I68 PolarHBondContact OG-O 3.26Å; I68-K71 HydrophobicContact CG2-CB 3.83Å; I68-K71 HydrophobicContact CG2-CG 3.58Å; I68-F73 HydrophobicContact CD1-CZ 3.99Å; I68-F73 HydrophobicContact CG2-CE2 3.87Å; I68-F73 HydrophobicContact CG2-CZ 4.08Å; I68-A139 HydrophobicContact CD1-CB 3.52Å; I68-T158 HydrophobicContact CD1-CG2 3.43Å; I68-T158 VanDerWaalsContact CD1-CG2 3.43Å; I68-L160 HydrophobicContact CD1-CB 4.24Å; I68-L160 HydrophobicContact CD1-CD1 4.28Å; I68-L160 HydrophobicContact CD1-CD2 4.31Å; I68-L160 HydrophobicContact CG1-CD2 4.01Å | ||
| 69 | V | 79 | Confident | 92.6 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 64% | 0.642 | 42% | 0.415 | S | S | * | . | trans | -113 | 128.4 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | K71 | V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.1Å | ||
| 70 | S | 80.5 | Confident | 92.8 | Very high | 125 Ų | 125 | 79.5 Ų | 79.5 | 87% | 0.874 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 56.2 | 33.5 | 169.1 | -56.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 71 | K | 89.1 | Confident | 93 | Very high | 94 Ų | 94 | 85.3 Ų | 85.3 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | trans | -90.3 | 143.3 | 172 | -61.5 | -60.8 | -170.7 | 161 | 0 | 111 | I68 V69 F73 W132 D134 | I68-K71 HydrophobicContact CG2-CB 3.83Å; I68-K71 HydrophobicContact CG2-CG 3.58Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.1Å; K71-F73 HydrophobicContact CB-CD2 4.42Å; K71-F73 HydrophobicContact CB-CE2 4.06Å; K71-F73 PolarHBondContact O-N 3.19Å; K71-W132 HydrophobicContact CB-CD2 4.06Å; K71-W132 HydrophobicContact CB-CE3 4.5Å; K71-W132 HydrophobicContact CB-CG 4.18Å; K71-W132 HydrophobicContact CD-CD2 4.21Å; K71-W132 HydrophobicContact CD-CH2 3.93Å; K71-W132 HydrophobicContact CD-CZ2 3.48Å; K71-W132 VanDerWaalsContact CD-CZ2 3.48Å; K71-W132 HydrophobicContact CD-CZ3 4.43Å; K71-W132 VanDerWaalsContact CE-CH2 3.45Å; K71-W132 VanDerWaalsContact CE-CZ2 3.41Å; K71-W132 HydrophobicContact CG-CD2 4.09Å; K71-W132 HydrophobicContact CG-CE3 4.22Å; K71-W132 HydrophobicContact CG-CH2 4.33Å; K71-W132 HydrophobicContact CG-CZ2 4.17Å; K71-W132 HydrophobicContact CG-CZ3 4.34Å; K71-D134 IonicContact NZ-OD2 3.14Å | ||
| 72 | R | 92.1 | Very high | 93.1 | Very high | 220 Ų | 220 | 84 Ų | 84 | 83% | 0.83 | 45% | 0.445 | S | S | * | . | trans | -90.8 | 101.5 | 176.6 | -172.6 | 177.9 | -175.4 | 175.3 | 1.6 | 109.7 | ||||
| 73 | F | 96.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 87 Ų | 87 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | trans | -78.5 | 151.4 | 171.9 | -73.8 | -100 | 0 | 0 | 0 | 111.2 | I68 K71 E130 W132 A139 K141 T158 | I68-F73 HydrophobicContact CD1-CZ 3.99Å; I68-F73 HydrophobicContact CG2-CE2 3.87Å; I68-F73 HydrophobicContact CG2-CZ 4.08Å; K71-F73 HydrophobicContact CB-CD2 4.42Å; K71-F73 HydrophobicContact CB-CE2 4.06Å; K71-F73 PolarHBondContact O-N 3.19Å; F73-E130 HydrophobicContact CB-CB 3.78Å; F73-E130 HydrophobicContact CD1-CB 4.1Å; F73-E130 HydrophobicContact CG-CB 4.33Å; F73-W132 HydrophobicContact CD1-CB 3.83Å; F73-W132 HydrophobicContact CD2-CB 4.42Å; F73-W132 HydrophobicContact CE1-CB 3.92Å; F73-W132 HydrophobicContact CE2-CB 4.49Å; F73-W132 HydrophobicContact CG-CB 4.09Å; F73-W132 HydrophobicContact CZ-CB 4.24Å; F73-A139 HydrophobicContact CE1-CB 3.79Å; F73-A139 HydrophobicContact CZ-CB 3.79Å; F73-K141 HydrophobicContact CD1-CB 4.3Å; F73-K141 HydrophobicContact CE1-CB 4.05Å; F73-T158 HydrophobicContact CZ-CG2 4.36Å | ||
| 74 | V | 96.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 82.7 Ų | 82.7 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.6 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | E130 V131 | V74-E130 WeakPolarHBondContact O-CA 3.42Å; V74-V131 PolarHBondContact N-O 2.97Å; V74-V131 PolarHBondContact O-N 3.32Å |
| 75 | G | 96.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 86 Ų | 86 | 44% | 0.443 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 149.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S129 | G75-S129 WeakPolarHBondContact CA-O 3.26Å |
| 76 | F | 96.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 81.9 Ų | 81.9 | 9% | 0.088 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 155.4 | 175.6 | 64.2 | -89.5 | 0 | 0 | 0 | 111.1 | T78 K80 V100 T102 S129 V131 | F76-T78 WeakPolarHBondContact CD2-O 3.45Å; F76-K80 HydrophobicContact CD2-CB 4.46Å; F76-V100 HydrophobicContact CE1-CG1 4.25Å; F76-V100 HydrophobicContact CE2-CB 4.48Å; F76-V100 HydrophobicContact CE2-CG1 4.28Å; F76-V100 HydrophobicContact CZ-CB 4.04Å; F76-V100 HydrophobicContact CZ-CG1 3.5Å; F76-T102 HydrophobicContact CD2-CG2 3.94Å; F76-T102 HydrophobicContact CE2-CG2 3.85Å; F76-S129 VanDerWaalsContact CD1-O 3.29Å; F76-S129 WeakPolarHBondContact CD1-O 3.27Å; F76-S129 PolarHBondContact N-O 3Å; F76-V131 HydrophobicContact CD1-CB 4.29Å; F76-V131 HydrophobicContact CD1-CG1 3.88Å; F76-V131 HydrophobicContact CE1-CB 3.95Å; F76-V131 HydrophobicContact CE1-CG1 4.05Å |
| 77 | Y | 95.8 | Very high | 93.3 | Very high | 207 Ų | 207 | 85.2 Ų | 85.2 | 81% | 0.812 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -122 | -4.4 | -173.5 | -54.1 | -77.9 | 0 | 0 | 0 | 113.8 | ||
| 78 | T | 95.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 82.9 Ų | 82.9 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -133.6 | 168.8 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | F76 K80 | F76-T78 WeakPolarHBondContact CD2-O 3.45Å; T78-K80 PolarHBondContact O-N 3.45Å |
| 79 | I | 96.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 86.2 Ų | 86.2 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | trans | -52.3 | 133 | 175.4 | -56.9 | 170.8 | 0 | 0 | 0 | 110 | K99 V100 | I79-K99 HydrophobicContact CG2-CB 4.34Å; I79-V100 WeakPolarHBondContact CA-O 3.48Å | ||
| 80 | K | 97 | Very high | 94.4 | Very high | 72 Ų | 72 | 81.1 Ų | 81.1 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.1 | 177.6 | -168.7 | 174.7 | -176.1 | 165.7 | 0 | 110.3 | F76 T78 I82 V100 V131 | F76-K80 HydrophobicContact CD2-CB 4.46Å; T78-K80 PolarHBondContact O-N 3.45Å; K80-I82 HydrophobicContact CD-CD1 4.13Å; K80-I82 HydrophobicContact CD-CG1 4.3Å; K80-I82 HydrophobicContact CG-CD1 4.31Å; K80-I82 HydrophobicContact CG-CG1 4.02Å; K80-V100 HydrophobicContact CB-CB 4.36Å; K80-V100 PolarHBondContact N-O 3.25Å; K80-V100 PolarHBondContact O-N 2.98Å; K80-V131 HydrophobicContact CD-CG1 3.58Å |
| 81 | E | 97.7 | Very high | 94.7 | Very high | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.3 | 173 | -56.9 | -165.5 | 162.7 | 0 | 0 | 109.8 | T97 F98 K99 | E81-T97 HydrophobicContact CB-CG2 4.36Å; E81-F98 CarbonylContact C-O 3.49Å; E81-F98 WeakPolarHBondContact CA-O 3.38Å; E81-K99 HydrophobicContact CG-CD 4.4Å; E81-K99 HydrophobicContact CG-CG 4.18Å; E81-K99 VanDerWaalsContact OE1-CE 3.22Å; E81-K99 WeakPolarHBondContact OE1-CE 3.29Å; E81-K99 IonicContact OE1-NZ 3.69Å; E81-K99 PolarHBondContact OE1-NZ 3.16Å |
| 82 | I | 97.5 | Very high | 94.5 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 116.9 | -176.3 | -55.8 | 175.1 | 0 | 0 | 0 | 108.5 | K80 F98 V100 V131 L138 | K80-I82 HydrophobicContact CD-CD1 4.13Å; K80-I82 HydrophobicContact CD-CG1 4.3Å; K80-I82 HydrophobicContact CG-CD1 4.31Å; K80-I82 HydrophobicContact CG-CG1 4.02Å; I82-F98 HydrophobicContact CB-CB 4.35Å; I82-F98 PolarHBondContact N-O 3.03Å; I82-F98 PolarHBondContact O-N 3.23Å; I82-V100 HydrophobicContact CD1-CG2 3.84Å; I82-V100 HydrophobicContact CG1-CG2 4.49Å; I82-V131 HydrophobicContact CD1-CG2 3.58Å; I82-L138 HydrophobicContact CD1-CD1 3.82Å |
| 83 | A | 96.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | trans | -81.3 | 120.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 84 | P | 95.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.156 | 37% | 0.366 | C | S | . | . | trans | -66.6 | 143.9 | 179.7 | 27.2 | -32.1 | 0 | 0 | 0 | 111.3 | F86 T96 F98 | P84-F86 HydrophobicContact CB-CD1 4.23Å; P84-F86 HydrophobicContact CB-CD2 4.32Å; P84-F86 HydrophobicContact CB-CE1 4.04Å; P84-F86 HydrophobicContact CB-CE2 4.16Å; P84-F86 HydrophobicContact CB-CG 4.35Å; P84-F86 HydrophobicContact CB-CZ 4.01Å; P84-F86 PolarHBondContact O-N 3.15Å; P84-T96 WeakPolarHBondContact CD-O 3.26Å; P84-F98 HydrophobicContact CB-CD2 4.29Å; P84-F98 HydrophobicContact CB-CE2 3.83Å; P84-F98 HydrophobicContact CG-CD2 4.19Å; P84-F98 HydrophobicContact CG-CE2 3.81Å | ||
| 85 | Q | 93.9 | Very high | 94.2 | Very high | 144 Ų | 144 | 63.9 Ų | 63.9 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -87.7 | 12.2 | 173.2 | -68.5 | 179 | 77.2 | 0 | 0 | 112.5 | ||
| 86 | F | 95.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -137.1 | 156.3 | 179.2 | 51.6 | -89.3 | 0 | 0 | 0 | 109.8 | P84 F88 N135 S137 L138 I161 | P84-F86 HydrophobicContact CB-CD1 4.23Å; P84-F86 HydrophobicContact CB-CD2 4.32Å; P84-F86 HydrophobicContact CB-CE1 4.04Å; P84-F86 HydrophobicContact CB-CE2 4.16Å; P84-F86 HydrophobicContact CB-CG 4.35Å; P84-F86 HydrophobicContact CB-CZ 4.01Å; P84-F86 PolarHBondContact O-N 3.15Å; F86-F88 HydrophobicContact CD2-CB 3.98Å; F86-F88 HydrophobicContact CE2-CB 3.85Å; F86-N135 WeakPolarHBondContact CB-O 3.39Å; F86-S137 VanDerWaalsContact CE1-C 3.41Å; F86-L138 HydrophobicContact CE1-CB 4.33Å; F86-L138 HydrophobicContact CZ-CB 3.92Å; F86-I161 HydrophobicContact CE2-CG2 4.33Å |
| 87 | T | 92.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 67% | 0.669 | 35% | 0.354 | S | S | * | . | trans | -76.5 | 129.8 | 171.8 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | F | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | trans | -141.4 | 137.5 | 174 | 173.9 | -105.2 | 0 | 0 | 0 | 109.6 | F86 F90 V95 F98 M108 I161 I167 | F86-F88 HydrophobicContact CD2-CB 3.98Å; F86-F88 HydrophobicContact CE2-CB 3.85Å; F88-F90 HydrophobicContact CE1-CB 4Å; F88-F90 HydrophobicContact CE1-CD2 4.39Å; F88-F90 HydrophobicContact CZ-CD2 4.38Å; F88-V95 HydrophobicContact CD1-CB 3.92Å; F88-V95 HydrophobicContact CD1-CG2 3.53Å; F88-V95 HydrophobicContact CE1-CG2 3.88Å; F88-V95 PolarHBondContact O-N 3.19Å; F88-F98 HydrophobicContact CD1-CE1 4.38Å; F88-F98 AromaticContact CD1-CZ 3.74Å; F88-F98 HydrophobicContact CD1-CZ 3.74Å; F88-F98 HydrophobicContact CE1-CE1 4.39Å; F88-F98 HydrophobicContact CE1-CZ 4.17Å; F88-F98 HydrophobicContact CG-CZ 4.49Å; F88-M108 HydrophobicContact CE1-SD 3.93Å; F88-I161 HydrophobicContact CD1-CG2 4.15Å; F88-I161 HydrophobicContact CD2-CG2 3.54Å; F88-I161 HydrophobicContact CE1-CG2 4.07Å; F88-I161 HydrophobicContact CE2-CG2 3.45Å; F88-I161 VanDerWaalsContact CE2-CG2 3.45Å; F88-I161 HydrophobicContact CG-CG2 3.91Å; F88-I161 HydrophobicContact CZ-CG2 3.72Å; F88-I167 HydrophobicContact CE2-CD1 4.45Å; F88-I167 HydrophobicContact CE2-CG1 4.1Å; F88-I167 HydrophobicContact CZ-CD1 3.98Å; F88-I167 HydrophobicContact CZ-CG1 3.93Å | ||
| 89 | K | 92 | Very high | 94.5 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.4 | 177.3 | -70.6 | -175.7 | 176.5 | -171.7 | 0 | 110.7 | N93 D94 | K89-N93 CarbonylContact C-O 3.56Å; K89-N93 WeakPolarHBondContact CA-O 3.43Å; K89-D94 WeakPolarHBondContact CE-OD1 3.34Å; K89-D94 VanDerWaalsContact CG-OD1 3.26Å; K89-D94 WeakPolarHBondContact CG-OD1 3.29Å |
| 90 | F | 92.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.6 | 173.3 | -167.8 | -120.2 | 0 | 0 | 0 | 109.5 | Y56 F88 G92 N93 V95 M108 L114 F117 I167 F187 R188 | Y56-F90 WeakPolarHBondContact OH-CD2 3.31Å; F88-F90 HydrophobicContact CE1-CB 4Å; F88-F90 HydrophobicContact CE1-CD2 4.39Å; F88-F90 HydrophobicContact CZ-CD2 4.38Å; F90-G92 PolarHBondContact O-N 3.48Å; F90-N93 PolarHBondContact N-O 2.86Å; F90-N93 PolarHBondContact O-N 3Å; F90-V95 HydrophobicContact CB-CG2 3.62Å; F90-M108 HydrophobicContact CB-SD 3.96Å; F90-M108 HydrophobicContact CD1-CB 4.28Å; F90-M108 HydrophobicContact CD1-CE 3.69Å; F90-M108 HydrophobicContact CD1-SD 3.8Å; F90-M108 HydrophobicContact CD2-CE 3.83Å; F90-M108 HydrophobicContact CD2-SD 3.58Å; F90-M108 VanDerWaalsContact CD2-SD 3.58Å; F90-M108 HydrophobicContact CE1-CE 3.41Å; F90-M108 VanDerWaalsContact CE1-CE 3.41Å; F90-M108 HydrophobicContact CE1-SD 4.16Å; F90-M108 HydrophobicContact CE2-CE 3.57Å; F90-M108 HydrophobicContact CE2-SD 3.97Å; F90-M108 HydrophobicContact CG-CE 3.89Å; F90-M108 HydrophobicContact CG-SD 3.5Å; F90-M108 WeakPolarHBondContact CG-SD 3.25Å; F90-M108 HydrophobicContact CZ-CE 3.35Å; F90-M108 HydrophobicContact CZ-SD 4.24Å; F90-L114 HydrophobicContact CD1-CB 3.94Å; F90-L114 WeakPolarHBondContact CD1-O 2.99Å; F90-L114 WeakPolarHBondContact CE1-O 3.49Å; F90-F117 HydrophobicContact CD2-CZ 4.44Å; F90-F117 AromaticContact CE2-CE1 3.58Å; F90-F117 HydrophobicContact CE2-CE1 3.58Å; F90-F117 AromaticContact CE2-CZ 3.81Å; F90-F117 HydrophobicContact CE2-CZ 3.81Å; F90-F117 AromaticContact CZ-CE1 3.83Å; F90-F117 HydrophobicContact CZ-CE1 3.83Å; F90-F117 HydrophobicContact CZ-CZ 4.4Å; F90-I167 HydrophobicContact CE2-CD1 4.47Å; F90-F187 HydrophobicContact CE2-CE1 4.02Å; F90-F187 HydrophobicContact CE2-CE2 4Å; F90-F187 AromaticContact CE2-CZ 3.52Å; F90-F187 HydrophobicContact CE2-CZ 3.52Å; F90-F187 HydrophobicContact CZ-CE1 4.07Å; F90-F187 HydrophobicContact CZ-CZ 4.04Å; F90-R188 WeakPolarHBondContact CE1-O 3.4Å; F90-R188 WeakPolarHBondContact CZ-O 3.47Å |
| 91 | F | 87 | Confident | 94.5 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.6 | -171.6 | -73.9 | -86.7 | 0 | 0 | 0 | 113.3 | Y55 Y56 N93 F187 I191 I201 | Y55-F91 AromaticContact CD2-CD1 3.58Å; Y55-F91 HydrophobicContact CD2-CD1 3.58Å; Y55-F91 HydrophobicContact CD2-CE1 4.25Å; Y55-F91 HydrophobicContact CE2-CD1 4.28Å; Y55-F91 HydrophobicContact CG-CD1 4.29Å; Y56-F91 HydrophobicContact CD2-CE1 4.29Å; Y56-F91 HydrophobicContact CD2-CZ 4.41Å; Y56-F91 HydrophobicContact CE2-CD1 4.08Å; Y56-F91 HydrophobicContact CE2-CD2 4.13Å; Y56-F91 HydrophobicContact CE2-CE1 4.06Å; Y56-F91 HydrophobicContact CE2-CE2 4.11Å; Y56-F91 HydrophobicContact CE2-CG 4.15Å; Y56-F91 HydrophobicContact CE2-CZ 4.11Å; Y56-F91 PolarHBondContact OH-N 3.11Å; Y56-F91 VanDerWaalsContact OH-N 3.07Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.24Å; F91-N93 PolarHBondContact O-ND2 3.08Å; F91-N93 VanDerWaalsContact O-ND2 3.17Å; F91-F187 HydrophobicContact CE2-CD1 4.19Å; F91-F187 AromaticContact CE2-CE1 3.39Å; F91-F187 HydrophobicContact CE2-CE1 3.39Å; F91-F187 HydrophobicContact CE2-CZ 4.13Å; F91-F187 HydrophobicContact CZ-CD1 4.16Å; F91-F187 AromaticContact CZ-CE1 3.44Å; F91-F187 HydrophobicContact CZ-CE1 3.44Å; F91-F187 VanDerWaalsContact CZ-CE1 3.44Å; F91-F187 HydrophobicContact CZ-CZ 4.42Å; F91-I191 HydrophobicContact CB-CD1 4.47Å; F91-I191 HydrophobicContact CB-CG1 4.27Å; F91-I191 HydrophobicContact CD1-CD1 3.72Å; F91-I191 HydrophobicContact CD1-CG1 4.26Å; F91-I191 HydrophobicContact CE1-CD1 4.25Å; F91-I191 HydrophobicContact CG-CD1 4.33Å; F91-I191 HydrophobicContact CG-CG1 4.39Å; F91-I201 HydrophobicContact CD1-CD1 4.4Å; F91-I201 HydrophobicContact CE1-CB 4.29Å; F91-I201 HydrophobicContact CE1-CD1 3.78Å; F91-I201 HydrophobicContact CE1-CG2 4.32Å; F91-I201 HydrophobicContact CZ-CB 4.21Å; F91-I201 HydrophobicContact CZ-CG2 4.2Å |
| 92 | G | 85.3 | Confident | 94.3 | Very high | 32 Ų | 32 | 45 Ų | 45 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F90 | F90-G92 PolarHBondContact O-N 3.48Š|
| 93 | N | 89 | Confident | 94 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.9 | -179.7 | -62.4 | -82 | 0 | 0 | 0 | 111.4 | K89 F90 F91 V95 L114 | K89-N93 CarbonylContact C-O 3.56Å; K89-N93 WeakPolarHBondContact CA-O 3.43Å; F90-N93 PolarHBondContact N-O 2.86Å; F90-N93 PolarHBondContact O-N 3Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.24Å; F91-N93 PolarHBondContact O-ND2 3.08Å; F91-N93 VanDerWaalsContact O-ND2 3.17Å; N93-V95 PolarHBondContact O-N 3.27Å; N93-L114 HydrophobicContact CB-CD1 3.96Å; N93-L114 HydrophobicContact CB-CD2 3.64Å; N93-L114 HydrophobicContact CB-CG 4.42Å |
| 94 | D | 93.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 129.2 | 179.3 | -63.7 | -51.6 | 0 | 0 | 0 | 111.6 | K89 G110 | K89-D94 WeakPolarHBondContact CE-OD1 3.34Å; K89-D94 VanDerWaalsContact CG-OD1 3.26Å; K89-D94 WeakPolarHBondContact CG-OD1 3.29Å; D94-G110 WeakPolarHBondContact O-CA 3.44Å |
| 95 | V | 96.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -89.1 | 120.4 | 174 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | F88 F90 N93 F98 M108 L114 | F88-V95 HydrophobicContact CD1-CB 3.92Å; F88-V95 HydrophobicContact CD1-CG2 3.53Å; F88-V95 HydrophobicContact CE1-CG2 3.88Å; F88-V95 PolarHBondContact O-N 3.19Å; F90-V95 HydrophobicContact CB-CG2 3.62Å; N93-V95 PolarHBondContact O-N 3.27Å; V95-F98 HydrophobicContact CB-CZ 4.41Å; V95-F98 HydrophobicContact CG1-CD1 4.3Å; V95-F98 HydrophobicContact CG1-CD2 4.22Å; V95-F98 HydrophobicContact CG1-CE1 3.98Å; V95-F98 HydrophobicContact CG1-CE2 3.88Å; V95-F98 HydrophobicContact CG1-CG 4.43Å; V95-F98 HydrophobicContact CG1-CZ 3.77Å; V95-M108 HydrophobicContact CG1-CB 4.19Å; V95-M108 HydrophobicContact CG1-CG 4.22Å; V95-M108 HydrophobicContact CG2-CB 4.13Å; V95-M108 HydrophobicContact CG2-CG 4.3Å; V95-L114 HydrophobicContact CG2-CD1 3.92Å |
| 96 | T | 97.2 | Very high | 94 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | trans | -101.9 | -23 | 177.2 | 58 | 0 | 0 | 0 | 0 | 112.2 | P84 Y109 G110 | P84-T96 WeakPolarHBondContact CD-O 3.26Å; T96-Y109 PolarHBondContact N-O 3.34Å; T96-Y109 PolarHBondContact OG1-O 3.28Å; T96-G110 PolarHBondContact OG1-O 3.24Å | ||
| 97 | T | 98 | Very high | 94.1 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 23% | 0.233 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 133.3 | -179 | -60 | 0 | 0 | 0 | 0 | 111.3 | E81 K99 Y109 | E81-T97 HydrophobicContact CB-CG2 4.36Å; T97-K99 HydrophobicContact CG2-CG 4.4Å; T97-Y109 PolarHBondContact N-O 2.92Å; T97-Y109 VanDerWaalsContact N-O 3.12Å; T97-Y109 PolarHBondContact O-N 2.73Å |
| 98 | F | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.8 | 165.2 | -67.8 | -81.1 | 0 | 0 | 0 | 109.7 | E81 I82 P84 F88 V95 L106 E107 M108 L138 I161 | E81-F98 CarbonylContact C-O 3.49Å; E81-F98 WeakPolarHBondContact CA-O 3.38Å; I82-F98 HydrophobicContact CB-CB 4.35Å; I82-F98 PolarHBondContact N-O 3.03Å; I82-F98 PolarHBondContact O-N 3.23Å; P84-F98 HydrophobicContact CB-CD2 4.29Å; P84-F98 HydrophobicContact CB-CE2 3.83Å; P84-F98 HydrophobicContact CG-CD2 4.19Å; P84-F98 HydrophobicContact CG-CE2 3.81Å; F88-F98 HydrophobicContact CD1-CE1 4.38Å; F88-F98 AromaticContact CD1-CZ 3.74Å; F88-F98 HydrophobicContact CD1-CZ 3.74Å; F88-F98 HydrophobicContact CE1-CE1 4.39Å; F88-F98 HydrophobicContact CE1-CZ 4.17Å; F88-F98 HydrophobicContact CG-CZ 4.49Å; V95-F98 HydrophobicContact CB-CZ 4.41Å; V95-F98 HydrophobicContact CG1-CD1 4.3Å; V95-F98 HydrophobicContact CG1-CD2 4.22Å; V95-F98 HydrophobicContact CG1-CE1 3.98Å; V95-F98 HydrophobicContact CG1-CE2 3.88Å; V95-F98 HydrophobicContact CG1-CG 4.43Å; V95-F98 HydrophobicContact CG1-CZ 3.77Å; F98-L106 HydrophobicContact CB-CD1 3.98Å; F98-L106 HydrophobicContact CD1-CD1 3.99Å; F98-L106 HydrophobicContact CD1-CD2 4.28Å; F98-L106 HydrophobicContact CD1-CG 4.22Å; F98-L106 HydrophobicContact CG-CD1 4.41Å; F98-E107 CarbonylContact C-O 3.58Å; F98-E107 WeakPolarHBondContact CA-O 3.48Å; F98-M108 HydrophobicContact CD1-CG 3.6Å; F98-M108 HydrophobicContact CE1-CG 3.44Å; F98-M108 VanDerWaalsContact CE1-CG 3.44Å; F98-M108 HydrophobicContact CE1-SD 3.97Å; F98-L138 HydrophobicContact CB-CD2 4.03Å; F98-L138 HydrophobicContact CD1-CD2 3.88Å; F98-L138 HydrophobicContact CD2-CD2 3.57Å; F98-L138 HydrophobicContact CE1-CD2 4.19Å; F98-L138 HydrophobicContact CE2-CD2 3.91Å; F98-L138 HydrophobicContact CG-CD2 3.54Å; F98-L138 HydrophobicContact CZ-CD2 4.2Å; F98-I161 HydrophobicContact CD1-CD1 4.25Å; F98-I161 HydrophobicContact CE1-CD1 3.41Å; F98-I161 VanDerWaalsContact CE1-CD1 3.41Å; F98-I161 HydrophobicContact CZ-CD1 3.84Å; F98-I161 HydrophobicContact CZ-CG2 4.47Å |
| 99 | K | 97.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112 | 167.5 | -55.5 | -163.6 | -174.4 | -149 | 0 | 109.5 | I79 E81 T97 E107 Y109 | I79-K99 HydrophobicContact CG2-CB 4.34Å; E81-K99 HydrophobicContact CG-CD 4.4Å; E81-K99 HydrophobicContact CG-CG 4.18Å; E81-K99 VanDerWaalsContact OE1-CE 3.22Å; E81-K99 WeakPolarHBondContact OE1-CE 3.29Å; E81-K99 IonicContact OE1-NZ 3.69Å; E81-K99 PolarHBondContact OE1-NZ 3.16Å; T97-K99 HydrophobicContact CG2-CG 4.4Å; K99-E107 HydrophobicContact CB-CB 4.25Å; K99-E107 PolarHBondContact N-O 3.02Å; K99-E107 PolarHBondContact O-N 2.79Å; K99-Y109 HydrophobicContact CB-CE2 4.23Å; K99-Y109 HydrophobicContact CD-CD2 4.17Å; K99-Y109 HydrophobicContact CD-CE2 3.6Å; K99-Y109 HydrophobicContact CG-CD2 3.87Å; K99-Y109 HydrophobicContact CG-CE2 3.66Å |
| 100 | V | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 114.2 | -179.2 | -158.7 | 0 | 0 | 0 | 0 | 109.2 | F76 I79 K80 I82 L106 V140 W142 | F76-V100 HydrophobicContact CE1-CG1 4.25Å; F76-V100 HydrophobicContact CE2-CB 4.48Å; F76-V100 HydrophobicContact CE2-CG1 4.28Å; F76-V100 HydrophobicContact CZ-CB 4.04Å; F76-V100 HydrophobicContact CZ-CG1 3.5Å; I79-V100 WeakPolarHBondContact CA-O 3.48Å; K80-V100 HydrophobicContact CB-CB 4.36Å; K80-V100 PolarHBondContact N-O 3.25Å; K80-V100 PolarHBondContact O-N 2.98Å; I82-V100 HydrophobicContact CD1-CG2 3.84Å; I82-V100 HydrophobicContact CG1-CG2 4.49Å; V100-L106 HydrophobicContact CB-CD1 4.3Å; V100-L106 HydrophobicContact CG1-CD1 4.4Å; V100-L106 HydrophobicContact CG2-CD1 3.74Å; V100-V140 HydrophobicContact CG1-CB 4.28Å; V100-V140 HydrophobicContact CG1-CG1 3.44Å; V100-V140 VanDerWaalsContact CG1-CG1 3.44Å; V100-V140 HydrophobicContact CG1-CG2 3.81Å; V100-V140 HydrophobicContact CG2-CG2 4.15Å; V100-W142 HydrophobicContact CG1-CZ2 4.07Å |
| 101 | H | 96.6 | Very high | 94.3 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | trans | -92.7 | 150.4 | 176.1 | -61.8 | -100.5 | 0 | 0 | 0 | 110.2 | G103 V105 E107 W142 | H101-G103 PolarHBondContact O-N 3.44Å; H101-V105 HydrophobicContact CB-CB 4.02Å; H101-V105 WeakPolarHBondContact CB-O 3.47Å; H101-V105 PolarHBondContact N-O 2.96Å; H101-E107 IonicContact NE2-OE2 3.68Å; H101-E107 PolarHBondContact NE2-OE2 3.14Å; H101-W142 PolarHBondContact O-NE1 3.09Å | ||
| 102 | T | 93.7 | Very high | 94.5 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.3 | 178 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | F76 G104 V127 S129 | F76-T102 HydrophobicContact CD2-CG2 3.94Å; F76-T102 HydrophobicContact CE2-CG2 3.85Å; T102-G104 VanDerWaalsContact C-N 3.28Å; T102-G104 PolarHBondContact O-N 3.04Å; T102-V127 WeakPolarHBondContact O-CB 3.38Å; T102-V127 WeakPolarHBondContact O-CG1 3.28Å; T102-S129 VanDerWaalsContact CA-OG 3.26Å; T102-S129 WeakPolarHBondContact CA-OG 3.36Å; T102-S129 PolarHBondContact O-OG 3.11Å; T102-S129 VanDerWaalsContact O-OG 3.07Å |
| 103 | G | 90.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 25.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | H101 | H101-G103 PolarHBondContact O-N 3.44Š|
| 104 | G | 93.3 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 83.3 | 16.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T102 T119 W142 | T102-G104 VanDerWaalsContact C-N 3.28Å; T102-G104 PolarHBondContact O-N 3.04Å; G104-T119 PolarHBondContact O-N 2.77Å; G104-W142 VanDerWaalsContact CA-CE2 3.5Å |
| 105 | V | 95.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.7 | -176.7 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | H101 E107 A116 F117 D118 | H101-V105 HydrophobicContact CB-CB 4.02Å; H101-V105 WeakPolarHBondContact CB-O 3.47Å; H101-V105 PolarHBondContact N-O 2.96Å; V105-E107 HydrophobicContact CG1-CG 4Å; V105-A116 HydrophobicContact CG1-CB 4.26Å; V105-F117 CarbonylContact C-O 3.57Å; V105-F117 VanDerWaalsContact CA-O 3.31Å; V105-F117 WeakPolarHBondContact CA-O 3.43Å; V105-D118 WeakPolarHBondContact CG1-OD1 3.48Å; V105-D118 HydrophobicContact CG2-CB 4.45Å; V105-D118 WeakPolarHBondContact CG2-OD1 3.4Å |
| 106 | L | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 108.6 | 171 | 177.2 | 62.4 | 0 | 0 | 0 | 109.4 | F98 V100 A116 F117 V140 W142 T159 I161 | F98-L106 HydrophobicContact CB-CD1 3.98Å; F98-L106 HydrophobicContact CD1-CD1 3.99Å; F98-L106 HydrophobicContact CD1-CD2 4.28Å; F98-L106 HydrophobicContact CD1-CG 4.22Å; F98-L106 HydrophobicContact CG-CD1 4.41Å; V100-L106 HydrophobicContact CB-CD1 4.3Å; V100-L106 HydrophobicContact CG1-CD1 4.4Å; V100-L106 HydrophobicContact CG2-CD1 3.74Å; L106-A116 CarbonylContact O-C 3.57Å; L106-A116 WeakPolarHBondContact O-CA 3.4Å; L106-F117 HydrophobicContact CB-CB 4.46Å; L106-F117 HydrophobicContact CB-CD2 4.43Å; L106-F117 HydrophobicContact CD2-CD2 3.98Å; L106-F117 HydrophobicContact CD2-CE2 4.37Å; L106-F117 HydrophobicContact CG-CD2 4.48Å; L106-F117 PolarHBondContact N-O 3.3Å; L106-F117 PolarHBondContact O-N 3.26Å; L106-V140 HydrophobicContact CD1-CG2 4.48Å; L106-V140 HydrophobicContact CD2-CG2 4.36Å; L106-W142 HydrophobicContact CB-CH2 3.82Å; L106-W142 HydrophobicContact CB-CZ2 4.21Å; L106-T159 HydrophobicContact CD2-CG2 4.38Å; L106-I161 HydrophobicContact CD2-CD1 3.82Å |
| 107 | E | 96.9 | Very high | 95 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 147.4 | 177 | -58 | -174.5 | 134 | 0 | 0 | 111.5 | F98 K99 H101 V105 Y109 A116 | F98-E107 CarbonylContact C-O 3.58Å; F98-E107 WeakPolarHBondContact CA-O 3.48Å; K99-E107 HydrophobicContact CB-CB 4.25Å; K99-E107 PolarHBondContact N-O 3.02Å; K99-E107 PolarHBondContact O-N 2.79Å; H101-E107 IonicContact NE2-OE2 3.68Å; H101-E107 PolarHBondContact NE2-OE2 3.14Å; V105-E107 HydrophobicContact CG1-CG 4Å; E107-Y109 HydrophobicContact CB-CD2 4.24Å; E107-Y109 HydrophobicContact CB-CE2 3.53Å; E107-Y109 HydrophobicContact CG-CE2 4.44Å; E107-Y109 WeakPolarHBondContact OE2-CE2 3.42Å; E107-Y109 PolarHBondContact OE2-OH 2.9Å; E107-A116 HydrophobicContact CG-CB 4.11Å |
| 108 | M | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.6 | 178.2 | -73.4 | 162.5 | -76.7 | 0 | 0 | 110.2 | F88 F90 V95 F98 L114 G115 F117 | F88-M108 HydrophobicContact CE1-SD 3.93Å; F90-M108 HydrophobicContact CB-SD 3.96Å; F90-M108 HydrophobicContact CD1-CB 4.28Å; F90-M108 HydrophobicContact CD1-CE 3.69Å; F90-M108 HydrophobicContact CD1-SD 3.8Å; F90-M108 HydrophobicContact CD2-CE 3.83Å; F90-M108 HydrophobicContact CD2-SD 3.58Å; F90-M108 VanDerWaalsContact CD2-SD 3.58Å; F90-M108 HydrophobicContact CE1-CE 3.41Å; F90-M108 VanDerWaalsContact CE1-CE 3.41Å; F90-M108 HydrophobicContact CE1-SD 4.16Å; F90-M108 HydrophobicContact CE2-CE 3.57Å; F90-M108 HydrophobicContact CE2-SD 3.97Å; F90-M108 HydrophobicContact CG-CE 3.89Å; F90-M108 HydrophobicContact CG-SD 3.5Å; F90-M108 WeakPolarHBondContact CG-SD 3.25Å; F90-M108 HydrophobicContact CZ-CE 3.35Å; F90-M108 HydrophobicContact CZ-SD 4.24Å; V95-M108 HydrophobicContact CG1-CB 4.19Å; V95-M108 HydrophobicContact CG1-CG 4.22Å; V95-M108 HydrophobicContact CG2-CB 4.13Å; V95-M108 HydrophobicContact CG2-CG 4.3Å; F98-M108 HydrophobicContact CD1-CG 3.6Å; F98-M108 HydrophobicContact CE1-CG 3.44Å; F98-M108 VanDerWaalsContact CE1-CG 3.44Å; F98-M108 HydrophobicContact CE1-SD 3.97Å; M108-L114 HydrophobicContact CB-CB 4.4Å; M108-L114 PolarHBondContact O-N 3.46Å; M108-G115 PolarHBondContact N-O 2.93Å; M108-F117 HydrophobicContact CE-CD1 4.07Å; M108-F117 HydrophobicContact CE-CD2 4.28Å; M108-F117 HydrophobicContact CE-CE1 3.66Å; M108-F117 HydrophobicContact CE-CE2 3.91Å; M108-F117 HydrophobicContact CE-CG 4.35Å; M108-F117 HydrophobicContact CE-CZ 3.56Å; M108-F117 HydrophobicContact SD-CE2 4.29Å; M108-F117 HydrophobicContact SD-CZ 4.06Å |
| 109 | Y | 96.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.2 | 179.4 | -68.2 | -96 | 0 | 0 | 0 | 110.3 | T96 T97 K99 E107 K112 N113 | T96-Y109 PolarHBondContact N-O 3.34Å; T96-Y109 PolarHBondContact OG1-O 3.28Å; T97-Y109 PolarHBondContact N-O 2.92Å; T97-Y109 VanDerWaalsContact N-O 3.12Å; T97-Y109 PolarHBondContact O-N 2.73Å; K99-Y109 HydrophobicContact CB-CE2 4.23Å; K99-Y109 HydrophobicContact CD-CD2 4.17Å; K99-Y109 HydrophobicContact CD-CE2 3.6Å; K99-Y109 HydrophobicContact CG-CD2 3.87Å; K99-Y109 HydrophobicContact CG-CE2 3.66Å; E107-Y109 HydrophobicContact CB-CD2 4.24Å; E107-Y109 HydrophobicContact CB-CE2 3.53Å; E107-Y109 HydrophobicContact CG-CE2 4.44Å; E107-Y109 WeakPolarHBondContact OE2-CE2 3.42Å; E107-Y109 PolarHBondContact OE2-OH 2.9Å; Y109-K112 WeakPolarHBondContact CA-O 2.96Å; Y109-N113 HydrophobicContact CD1-CB 4.08Å; Y109-N113 HydrophobicContact CE1-CB 3.7Å; Y109-N113 PolarHBondContact OH-ND2 3.17Å |
| 110 | G | 93.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -111.7 | -122.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | D94 T96 K112 | D94-G110 WeakPolarHBondContact O-CA 3.44Å; T96-G110 PolarHBondContact OG1-O 3.24Å; G110-K112 PolarHBondContact N-O 3.45Å; G110-K112 PolarHBondContact O-N 3.15Å |
| 111 | E | 89.3 | Confident | 93.2 | Very high | 199 Ų | 199 | 40 Ų | 40 | 93% | 0.93 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -64.8 | -27.3 | 165.3 | -66.1 | -175.5 | 170.6 | 0 | 0 | 112.6 | ||
| 112 | K | 90.1 | Very high | 92.7 | Very high | 135 Ų | 135 | 40.7 Ų | 40.7 | 59% | 0.587 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -136.6 | 173.8 | 179.7 | -59.6 | -175.9 | -176.9 | 179.9 | 0 | 109.5 | Y109 G110 L114 | Y109-K112 WeakPolarHBondContact CA-O 2.96Å; G110-K112 PolarHBondContact N-O 3.45Å; G110-K112 PolarHBondContact O-N 3.15Å; K112-L114 PolarHBondContact O-N 2.89Å |
| 113 | N | 92.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 125.1 | 168.6 | -173.9 | -59.6 | 0 | 0 | 0 | 109.3 | Y109 G115 | Y109-N113 HydrophobicContact CD1-CB 4.08Å; Y109-N113 HydrophobicContact CE1-CB 3.7Å; Y109-N113 PolarHBondContact OH-ND2 3.17Å; N113-G115 WeakPolarHBondContact OD1-CA 3.3Å; N113-G115 PolarHBondContact OD1-N 2.76Å |
| 114 | L | 93.5 | Very high | 92 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -13.9 | -179.7 | -57.7 | 177.1 | 0 | 0 | 0 | 112.2 | F90 N93 V95 M108 K112 E190 | F90-L114 HydrophobicContact CD1-CB 3.94Å; F90-L114 WeakPolarHBondContact CD1-O 2.99Å; F90-L114 WeakPolarHBondContact CE1-O 3.49Å; N93-L114 HydrophobicContact CB-CD1 3.96Å; N93-L114 HydrophobicContact CB-CD2 3.64Å; N93-L114 HydrophobicContact CB-CG 4.42Å; V95-L114 HydrophobicContact CG2-CD1 3.92Å; M108-L114 HydrophobicContact CB-CB 4.4Å; M108-L114 PolarHBondContact O-N 3.46Å; K112-L114 PolarHBondContact O-N 2.89Å; L114-E190 PolarHBondContact O-N 2.86Å |
| 115 | G | 94.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -164 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M108 N113 R188 | M108-G115 PolarHBondContact N-O 2.93Å; N113-G115 WeakPolarHBondContact OD1-CA 3.3Å; N113-G115 PolarHBondContact OD1-N 2.76Å; G115-R188 CarbonylContact C-O 3.57Å; G115-R188 VanDerWaalsContact CA-O 3.29Å; G115-R188 WeakPolarHBondContact CA-O 3.44Å |
| 116 | A | 95.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V105 L106 E107 R188 | V105-A116 HydrophobicContact CG1-CB 4.26Å; L106-A116 CarbonylContact O-C 3.57Å; L106-A116 WeakPolarHBondContact O-CA 3.4Å; E107-A116 HydrophobicContact CG-CB 4.11Å; A116-R188 PolarHBondContact N-O 3.29Å; A116-R188 PolarHBondContact O-N 2.95Å |
| 117 | F | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.7 | 158.1 | -51.5 | -38.4 | 0 | 0 | 0 | 108.7 | F90 V105 L106 M108 T159 I161 I167 F169 F187 | F90-F117 HydrophobicContact CD2-CZ 4.44Å; F90-F117 AromaticContact CE2-CE1 3.58Å; F90-F117 HydrophobicContact CE2-CE1 3.58Å; F90-F117 AromaticContact CE2-CZ 3.81Å; F90-F117 HydrophobicContact CE2-CZ 3.81Å; F90-F117 AromaticContact CZ-CE1 3.83Å; F90-F117 HydrophobicContact CZ-CE1 3.83Å; F90-F117 HydrophobicContact CZ-CZ 4.4Å; V105-F117 CarbonylContact C-O 3.57Å; V105-F117 VanDerWaalsContact CA-O 3.31Å; V105-F117 WeakPolarHBondContact CA-O 3.43Å; L106-F117 HydrophobicContact CB-CB 4.46Å; L106-F117 HydrophobicContact CB-CD2 4.43Å; L106-F117 HydrophobicContact CD2-CD2 3.98Å; L106-F117 HydrophobicContact CD2-CE2 4.37Å; L106-F117 HydrophobicContact CG-CD2 4.48Å; L106-F117 PolarHBondContact N-O 3.3Å; L106-F117 PolarHBondContact O-N 3.26Å; M108-F117 HydrophobicContact CE-CD1 4.07Å; M108-F117 HydrophobicContact CE-CD2 4.28Å; M108-F117 HydrophobicContact CE-CE1 3.66Å; M108-F117 HydrophobicContact CE-CE2 3.91Å; M108-F117 HydrophobicContact CE-CG 4.35Å; M108-F117 HydrophobicContact CE-CZ 3.56Å; M108-F117 HydrophobicContact SD-CE2 4.29Å; M108-F117 HydrophobicContact SD-CZ 4.06Å; F117-T159 HydrophobicContact CD2-CG2 3.88Å; F117-T159 HydrophobicContact CE2-CG2 4.19Å; F117-I161 HydrophobicContact CE2-CD1 3.92Å; F117-I161 HydrophobicContact CE2-CG1 4.34Å; F117-I167 HydrophobicContact CE1-CG2 4.49Å; F117-I167 HydrophobicContact CE2-CG2 3.73Å; F117-I167 HydrophobicContact CZ-CD1 3.9Å; F117-I167 HydrophobicContact CZ-CG1 4.28Å; F117-I167 HydrophobicContact CZ-CG2 3.67Å; F117-F169 HydrophobicContact CB-CE1 3.99Å; F117-F169 HydrophobicContact CB-CZ 4.1Å; F117-F169 AromaticContact CD1-CZ 3.79Å; F117-F169 HydrophobicContact CD1-CZ 3.79Å; F117-F169 AromaticContact CD2-CE1 3.96Å; F117-F169 HydrophobicContact CD2-CE1 3.96Å; F117-F169 AromaticContact CD2-CZ 3.72Å; F117-F169 HydrophobicContact CD2-CZ 3.72Å; F117-F169 HydrophobicContact CE1-CZ 4.15Å; F117-F169 HydrophobicContact CE2-CZ 4.07Å; F117-F169 AromaticContact CG-CE1 3.91Å; F117-F169 HydrophobicContact CG-CE1 3.91Å; F117-F169 AromaticContact CG-CZ 3.59Å; F117-F169 HydrophobicContact CG-CZ 3.59Å; F117-F169 HydrophobicContact CZ-CZ 4.29Å; F117-F187 HydrophobicContact CD1-CB 4.44Å; F117-F187 AromaticContact CD1-CD2 3.68Å; F117-F187 HydrophobicContact CD1-CD2 3.68Å; F117-F187 HydrophobicContact CD1-CE2 4.21Å; F117-F187 HydrophobicContact CD1-CG 4.16Å; F117-F187 AromaticContact CE1-CD2 3.28Å; F117-F187 HydrophobicContact CE1-CD2 3.28Å; F117-F187 AromaticContact CE1-CE2 3.34Å; F117-F187 HydrophobicContact CE1-CE2 3.34Å; F117-F187 HydrophobicContact CE1-CG 4.03Å; F117-F187 HydrophobicContact CE1-CZ 4.13Å; F117-F187 HydrophobicContact CZ-CD2 4.28Å; F117-F187 HydrophobicContact CZ-CE2 4.02Å |
| 118 | D | 93.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 107.9 | 177.1 | -50.5 | -83.5 | 0 | 0 | 0 | 108.8 | V105 L185 T186 R188 | V105-D118 WeakPolarHBondContact CG1-OD1 3.48Å; V105-D118 HydrophobicContact CG2-CB 4.45Å; V105-D118 WeakPolarHBondContact CG2-OD1 3.4Å; D118-L185 WeakPolarHBondContact O-CA 3.44Å; D118-T186 PolarHBondContact N-O 3.33Å; D118-T186 PolarHBondContact O-N 2.96Å; D118-R188 IonicContact OD1-CZ 2.81Å; D118-R188 IonicContact OD1-NH2 2.87Å; D118-R188 PolarHBondContact OD1-NH2 2.82Å; D118-R188 IonicContact OD2-CZ 3.83Å; D118-R188 IonicContact OD2-NE 3.68Å; D118-R188 PolarHBondContact OD2-NE 3.11Å; D118-R188 IonicContact OD2-NH2 3.23Å; D118-R188 PolarHBondContact OD2-NH2 3.27Å |
| 119 | T | 91.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.5 | 166.9 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | G104 F144 F155 V157 L185 | G104-T119 PolarHBondContact O-N 2.77Å; T119-F144 HydrophobicContact CG2-CE2 4.08Å; T119-F144 HydrophobicContact CG2-CZ 4.29Å; T119-F155 HydrophobicContact CG2-CE1 3.74Å; T119-F155 HydrophobicContact CG2-CZ 4.36Å; T119-V157 HydrophobicContact CG2-CB 4.06Å; T119-V157 HydrophobicContact CG2-CG1 3.37Å; T119-V157 HydrophobicContact CG2-CG2 4.33Å; T119-L185 WeakPolarHBondContact OG1-CD1 3.37Å |
| 120 | Y | 84.1 | Confident | 91.5 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.4 | -177.1 | 179.2 | -109.5 | 0 | 0 | 0 | 110.8 | T122 Q184 | Y120-T122 WeakPolarHBondContact CE1-OG1 3.22Å; Y120-Q184 PolarHBondContact N-O 3.49Å; Y120-Q184 PolarHBondContact O-N 3.35Å; Y120-Q184 VanDerWaalsContact O-O 3.11Å |
| 121 | V | 85.3 | Confident | 91.7 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.3 | 168.8 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | G123 F125 F144 F155 I178 Q182 | V121-G123 PolarHBondContact O-N 2.9Å; V121-F125 HydrophobicContact CB-CD2 4.25Å; V121-F125 HydrophobicContact CB-CE2 4.28Å; V121-F125 HydrophobicContact CG1-CD2 3.94Å; V121-F125 HydrophobicContact CG1-CE2 3.48Å; V121-F125 VanDerWaalsContact CG1-CE2 3.48Å; V121-F125 HydrophobicContact CG1-CZ 3.82Å; V121-F144 HydrophobicContact CB-CD1 4.38Å; V121-F144 HydrophobicContact CG2-CD1 4.21Å; V121-F144 HydrophobicContact CG2-CD2 4.33Å; V121-F144 HydrophobicContact CG2-CE1 4.49Å; V121-F144 HydrophobicContact CG2-CG 4.13Å; V121-F155 HydrophobicContact CG2-CB 4.29Å; V121-F155 HydrophobicContact CG2-CD1 3.28Å; V121-F155 HydrophobicContact CG2-CD2 4.43Å; V121-F155 HydrophobicContact CG2-CE1 3.53Å; V121-F155 HydrophobicContact CG2-CG 3.77Å; V121-F155 HydrophobicContact CG2-CZ 4.22Å; V121-I178 HydrophobicContact CG1-CG2 4.28Å; V121-Q182 VanDerWaalsContact CA-O 3.23Å; V121-Q182 WeakPolarHBondContact CA-O 3.28Å |
| 122 | T | 85.7 | Confident | 92 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 36% | 0.362 | 24% | 0.241 | S | C | . | . | trans | -70.9 | 120.4 | 178.7 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | Y120 Q182 | Y120-T122 WeakPolarHBondContact CE1-OG1 3.22Å; T122-Q182 PolarHBondContact N-O 3.49Å; T122-Q182 PolarHBondContact O-NE2 3.36Å | ||
| 123 | G | 84.2 | Confident | 92.2 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 144.5 | -174.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V121 F125 | V121-G123 PolarHBondContact O-N 2.9Å; G123-F125 PolarHBondContact O-N 2.91Å |
| 124 | N | 85.8 | Confident | 92.3 | Very high | 156 Ų | 156 | 41.1 Ų | 41.1 | 83% | 0.834 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -89 | 85 | 176.2 | -64.2 | -24.3 | 0 | 0 | 0 | 109.4 | ||
| 125 | F | 90.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | trans | -110.3 | 132.8 | 176.7 | -68.7 | -90.4 | 0 | 0 | 0 | 110.5 | V121 G123 F144 H145 T146 L153 I178 | V121-F125 HydrophobicContact CB-CD2 4.25Å; V121-F125 HydrophobicContact CB-CE2 4.28Å; V121-F125 HydrophobicContact CG1-CD2 3.94Å; V121-F125 HydrophobicContact CG1-CE2 3.48Å; V121-F125 VanDerWaalsContact CG1-CE2 3.48Å; V121-F125 HydrophobicContact CG1-CZ 3.82Å; G123-F125 PolarHBondContact O-N 2.91Å; F125-F144 HydrophobicContact CB-CB 4.11Å; F125-F144 HydrophobicContact CB-CD1 4.12Å; F125-F144 HydrophobicContact CD1-CB 3.91Å; F125-F144 HydrophobicContact CG-CB 4.18Å; F125-H145 CarbonylContact C-O 3.45Å; F125-H145 WeakPolarHBondContact CA-O 3.26Å; F125-T146 HydrophobicContact CD1-CG2 3.84Å; F125-T146 HydrophobicContact CE1-CG2 3.62Å; F125-T146 HydrophobicContact CG-CG2 4.49Å; F125-T146 HydrophobicContact CZ-CG2 4.08Å; F125-L153 HydrophobicContact CE1-CB 3.96Å; F125-L153 HydrophobicContact CZ-CB 4.28Å; F125-L153 HydrophobicContact CZ-CD1 4.47Å; F125-I178 HydrophobicContact CE1-CD1 4.06Å; F125-I178 HydrophobicContact CZ-CD1 3.96Å; F125-I178 HydrophobicContact CZ-CG1 4.24Å | ||
| 126 | E | 92.5 | Very high | 92.3 | Very high | 106 Ų | 106 | 50.7 Ų | 50.7 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 151.6 | 158.5 | -68.2 | 175.9 | -157.9 | 0 | 0 | 108.6 | F144 H145 S147 | E126-F144 CarbonylContact O-C 3.49Å; E126-F144 WeakPolarHBondContact O-CA 3.33Å; E126-H145 PolarHBondContact N-O 3.46Å; E126-H145 PolarHBondContact O-N 3.5Å; E126-H145 IonicContact OE2-NE2 3.74Å; E126-S147 VanDerWaalsContact CD-OG 3.29Å; E126-S147 WeakPolarHBondContact OE1-CB 3.45Å; E126-S147 PolarHBondContact OE1-OG 3.21Å |
| 127 | V | 94.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.2 | -174.1 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | T102 W142 F144 | T102-V127 WeakPolarHBondContact O-CB 3.38Å; T102-V127 WeakPolarHBondContact O-CG1 3.28Å; V127-W142 HydrophobicContact CG1-CB 3.87Å; V127-W142 HydrophobicContact CG1-CG 4.31Å; V127-F144 HydrophobicContact CG1-CD1 4.37Å; V127-F144 HydrophobicContact CG1-CE1 4.27Å; V127-F144 HydrophobicContact CG1-CE2 4.47Å; V127-F144 HydrophobicContact CG1-CZ 4.33Å; V127-F144 HydrophobicContact CG2-CD1 3.45Å; V127-F144 VanDerWaalsContact CG2-CD1 3.45Å; V127-F144 HydrophobicContact CG2-CE1 3.56Å; V127-F144 HydrophobicContact CG2-CG 4.21Å; V127-F144 HydrophobicContact CG2-CZ 4.39Å |
| 128 | D | 95.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.1 | 165.7 | -64.9 | -41.4 | 0 | 0 | 0 | 108.9 | W142 S143 H145 | D128-W142 WeakPolarHBondContact O-CA 3.2Å; D128-S143 PolarHBondContact N-O 3.46Å; D128-S143 PolarHBondContact O-N 3Å; D128-H145 IonicContact OD1-CE1 2.63Å; D128-H145 IonicContact OD2-CE1 3.72Å; D128-H145 PolarHBondContact OD2-CE1 2.88Å; D128-H145 IonicContact OD2-ND1 2.66Å |
| 129 | S | 97.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.8 | -176 | -53 | 0 | 0 | 0 | 0 | 110.3 | G75 F76 T102 | G75-S129 WeakPolarHBondContact CA-O 3.26Å; F76-S129 VanDerWaalsContact CD1-O 3.29Å; F76-S129 WeakPolarHBondContact CD1-O 3.27Å; F76-S129 PolarHBondContact N-O 3Å; T102-S129 VanDerWaalsContact CA-OG 3.26Å; T102-S129 WeakPolarHBondContact CA-OG 3.36Å; T102-S129 PolarHBondContact O-OG 3.11Å; T102-S129 VanDerWaalsContact O-OG 3.07Å |
| 130 | E | 96.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.3 | -179.3 | -46.1 | 177.1 | 67.4 | 0 | 0 | 110.8 | F73 V74 V140 K141 | F73-E130 HydrophobicContact CB-CB 3.78Å; F73-E130 HydrophobicContact CD1-CB 4.1Å; F73-E130 HydrophobicContact CG-CB 4.33Å; V74-E130 WeakPolarHBondContact O-CA 3.42Å; E130-V140 WeakPolarHBondContact O-CA 3.25Å; E130-K141 PolarHBondContact N-O 3.48Å; E130-K141 PolarHBondContact O-N 3.13Å; E130-K141 IonicContact OE1-NZ 3.41Å; E130-K141 WeakPolarHBondContact OE2-CE 3.48Å; E130-K141 IonicContact OE2-NZ 2.67Å; E130-K141 PolarHBondContact OE2-NZ 2.98Å |
| 131 | V | 96.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.7 | -177.3 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | V74 F76 K80 I82 L138 A139 V140 | V74-V131 PolarHBondContact N-O 2.97Å; V74-V131 PolarHBondContact O-N 3.32Å; F76-V131 HydrophobicContact CD1-CB 4.29Å; F76-V131 HydrophobicContact CD1-CG1 3.88Å; F76-V131 HydrophobicContact CE1-CB 3.95Å; F76-V131 HydrophobicContact CE1-CG1 4.05Å; K80-V131 HydrophobicContact CD-CG1 3.58Å; I82-V131 HydrophobicContact CD1-CG2 3.58Å; V131-L138 HydrophobicContact CG2-CD1 3.71Å; V131-A139 WeakPolarHBondContact CA-O 3.35Å; V131-A139 WeakPolarHBondContact CG2-O 3.16Å; V131-V140 HydrophobicContact CG2-CG2 4.01Å |
| 132 | W | 95.7 | Very high | 93.9 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.5 | 173.3 | 167.5 | 72.8 | 0 | 0 | 0 | 108.6 | K71 F73 D134 A139 L160 | K71-W132 HydrophobicContact CB-CD2 4.06Å; K71-W132 HydrophobicContact CB-CE3 4.5Å; K71-W132 HydrophobicContact CB-CG 4.18Å; K71-W132 HydrophobicContact CD-CD2 4.21Å; K71-W132 HydrophobicContact CD-CH2 3.93Å; K71-W132 HydrophobicContact CD-CZ2 3.48Å; K71-W132 VanDerWaalsContact CD-CZ2 3.48Å; K71-W132 HydrophobicContact CD-CZ3 4.43Å; K71-W132 VanDerWaalsContact CE-CH2 3.45Å; K71-W132 VanDerWaalsContact CE-CZ2 3.41Å; K71-W132 HydrophobicContact CG-CD2 4.09Å; K71-W132 HydrophobicContact CG-CE3 4.22Å; K71-W132 HydrophobicContact CG-CH2 4.33Å; K71-W132 HydrophobicContact CG-CZ2 4.17Å; K71-W132 HydrophobicContact CG-CZ3 4.34Å; F73-W132 HydrophobicContact CD1-CB 3.83Å; F73-W132 HydrophobicContact CD2-CB 4.42Å; F73-W132 HydrophobicContact CE1-CB 3.92Å; F73-W132 HydrophobicContact CE2-CB 4.49Å; F73-W132 HydrophobicContact CG-CB 4.09Å; F73-W132 HydrophobicContact CZ-CB 4.24Å; W132-D134 VanDerWaalsContact CH2-OD2 3.24Å; W132-D134 WeakPolarHBondContact CH2-OD2 3.46Å; W132-D134 HydrophobicContact CZ2-CB 3.99Å; W132-D134 VanDerWaalsContact CZ2-CG 3.46Å; W132-D134 WeakPolarHBondContact CZ2-OD2 3.07Å; W132-A139 HydrophobicContact CE3-CB 3.7Å; W132-A139 HydrophobicContact CZ3-CB 4.36Å; W132-A139 PolarHBondContact N-O 3.39Å; W132-A139 PolarHBondContact O-N 2.96Å; W132-A139 VanDerWaalsContact O-O 3.14Å; W132-L160 HydrophobicContact CZ3-CD1 4.26Å |
| 133 | S | 95.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139.9 | 177.7 | -177 | 0 | 0 | 0 | 0 | 110.2 | S137 | S133-S137 WeakPolarHBondContact CA-O 3.25Å; S133-S137 PolarHBondContact OG-O 3.47Å |
| 134 | D | 94.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | trans | -131.7 | -161.4 | 171.3 | 66.8 | 11.4 | 0 | 0 | 0 | 110.7 | K71 W132 E136 S137 | K71-D134 IonicContact NZ-OD2 3.14Å; W132-D134 VanDerWaalsContact CH2-OD2 3.24Å; W132-D134 WeakPolarHBondContact CH2-OD2 3.46Å; W132-D134 HydrophobicContact CZ2-CB 3.99Å; W132-D134 VanDerWaalsContact CZ2-CG 3.46Å; W132-D134 WeakPolarHBondContact CZ2-OD2 3.07Å; D134-E136 VanDerWaalsContact C-N 3.25Å; D134-E136 PolarHBondContact O-N 3.35Å; D134-E136 PolarHBondContact OD1-N 2.88Å; D134-S137 PolarHBondContact N-O 3.33Å; D134-S137 PolarHBondContact OD1-N 2.9Å | ||
| 135 | N | 94.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 37 Ų | 37 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.3 | -2.9 | 179.3 | 66.6 | -36 | 0 | 0 | 0 | 114.1 | F86 | F86-N135 WeakPolarHBondContact CB-O 3.39Š|
| 136 | E | 94.2 | Very high | 95.4 | Very high | 114 Ų | 114 | 36.4 Ų | 36.4 | 53% | 0.533 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -127.1 | -19.5 | -177.1 | -68.9 | -177.1 | 176.8 | 0 | 0 | 112.6 | D134 S163 | D134-E136 VanDerWaalsContact C-N 3.25Å; D134-E136 PolarHBondContact O-N 3.35Å; D134-E136 PolarHBondContact OD1-N 2.88Å; E136-S163 WeakPolarHBondContact O-CB 3.11Å; E136-S163 PolarHBondContact O-N 3.34Å; E136-S163 PolarHBondContact O-OG 3.45Å |
| 137 | S | 95.8 | Very high | 95 | Very high | 8 Ų | 8 | 35 Ų | 35 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156 | -171.2 | -61.9 | 0 | 0 | 0 | 0 | 114 | F86 S133 D134 I161 H162 | F86-S137 VanDerWaalsContact CE1-C 3.41Å; S133-S137 WeakPolarHBondContact CA-O 3.25Å; S133-S137 PolarHBondContact OG-O 3.47Å; D134-S137 PolarHBondContact N-O 3.33Å; D134-S137 PolarHBondContact OD1-N 2.9Å; S137-I161 CarbonylContact C-O 3.49Å; S137-I161 WeakPolarHBondContact CA-O 3.42Å; S137-I161 WeakPolarHBondContact CB-O 3.12Å; S137-H162 PolarHBondContact OG-ND1 2.02Å |
| 138 | L | 96.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.7 | 168.5 | 171.2 | 67.3 | 0 | 0 | 0 | 108 | I82 F86 F98 V131 V140 L160 I161 | I82-L138 HydrophobicContact CD1-CD1 3.82Å; F86-L138 HydrophobicContact CE1-CB 4.33Å; F86-L138 HydrophobicContact CZ-CB 3.92Å; F98-L138 HydrophobicContact CB-CD2 4.03Å; F98-L138 HydrophobicContact CD1-CD2 3.88Å; F98-L138 HydrophobicContact CD2-CD2 3.57Å; F98-L138 HydrophobicContact CE1-CD2 4.19Å; F98-L138 HydrophobicContact CE2-CD2 3.91Å; F98-L138 HydrophobicContact CG-CD2 3.54Å; F98-L138 HydrophobicContact CZ-CD2 4.2Å; V131-L138 HydrophobicContact CG2-CD1 3.71Å; L138-V140 HydrophobicContact CG-CG2 4.48Å; L138-L160 CarbonylContact O-C 3.57Å; L138-L160 WeakPolarHBondContact O-CA 3.2Å; L138-I161 HydrophobicContact CD2-CD1 4.49Å; L138-I161 PolarHBondContact N-O 3.21Å; L138-I161 PolarHBondContact O-N 3.26Å |
| 139 | A | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I68 F73 V131 W132 T159 L160 | I68-A139 HydrophobicContact CD1-CB 3.52Å; F73-A139 HydrophobicContact CE1-CB 3.79Å; F73-A139 HydrophobicContact CZ-CB 3.79Å; V131-A139 WeakPolarHBondContact CA-O 3.35Å; V131-A139 WeakPolarHBondContact CG2-O 3.16Å; W132-A139 HydrophobicContact CE3-CB 3.7Å; W132-A139 HydrophobicContact CZ3-CB 4.36Å; W132-A139 PolarHBondContact N-O 3.39Å; W132-A139 PolarHBondContact O-N 2.96Å; W132-A139 VanDerWaalsContact O-O 3.14Å; A139-T159 CarbonylContact C-O 3.54Å; A139-T159 WeakPolarHBondContact CA-O 3.21Å; A139-L160 HydrophobicContact CB-CD1 3.93Å |
| 140 | V | 96.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.3 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | V100 L106 E130 V131 L138 W142 T158 T159 | V100-V140 HydrophobicContact CG1-CB 4.28Å; V100-V140 HydrophobicContact CG1-CG1 3.44Å; V100-V140 VanDerWaalsContact CG1-CG1 3.44Å; V100-V140 HydrophobicContact CG1-CG2 3.81Å; V100-V140 HydrophobicContact CG2-CG2 4.15Å; L106-V140 HydrophobicContact CD1-CG2 4.48Å; L106-V140 HydrophobicContact CD2-CG2 4.36Å; E130-V140 WeakPolarHBondContact O-CA 3.25Å; V131-V140 HydrophobicContact CG2-CG2 4.01Å; L138-V140 HydrophobicContact CG-CG2 4.48Å; V140-W142 HydrophobicContact CB-CH2 4.19Å; V140-W142 HydrophobicContact CB-CZ2 4.28Å; V140-W142 HydrophobicContact CB-CZ3 4.44Å; V140-W142 HydrophobicContact CG1-CD2 3.89Å; V140-W142 VanDerWaalsContact CG1-CE2 3.46Å; V140-W142 HydrophobicContact CG1-CE3 4.19Å; V140-W142 HydrophobicContact CG1-CH2 3.81Å; V140-W142 HydrophobicContact CG1-CZ2 3.43Å; V140-W142 VanDerWaalsContact CG1-CZ2 3.43Å; V140-W142 HydrophobicContact CG1-CZ3 4.17Å; V140-T158 CarbonylContact O-C 3.59Å; V140-T158 WeakPolarHBondContact O-CA 3.45Å; V140-T159 PolarHBondContact N-O 3.42Å; V140-T159 PolarHBondContact O-N 3.24Å |
| 141 | K | 96.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.8 | 177.4 | -178.1 | 177.3 | 57.6 | 158.4 | 0 | 109.3 | F73 E130 I156 V157 T158 | F73-K141 HydrophobicContact CD1-CB 4.3Å; F73-K141 HydrophobicContact CE1-CB 4.05Å; E130-K141 PolarHBondContact N-O 3.48Å; E130-K141 PolarHBondContact O-N 3.13Å; E130-K141 IonicContact OE1-NZ 3.41Å; E130-K141 WeakPolarHBondContact OE2-CE 3.48Å; E130-K141 IonicContact OE2-NZ 2.67Å; E130-K141 PolarHBondContact OE2-NZ 2.98Å; K141-I156 HydrophobicContact CD-CG2 4.08Å; K141-I156 HydrophobicContact CG-CG2 3.89Å; K141-V157 WeakPolarHBondContact CA-O 3.32Å; K141-T158 HydrophobicContact CB-CG2 4.15Å; K141-T158 WeakPolarHBondContact CG-OG1 2.97Å |
| 142 | W | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.4 | 171.6 | -60.5 | -82.5 | 0 | 0 | 0 | 109.3 | V100 H101 G104 L106 V127 D128 V140 F144 I156 V157 T159 | V100-W142 HydrophobicContact CG1-CZ2 4.07Å; H101-W142 PolarHBondContact O-NE1 3.09Å; G104-W142 VanDerWaalsContact CA-CE2 3.5Å; L106-W142 HydrophobicContact CB-CH2 3.82Å; L106-W142 HydrophobicContact CB-CZ2 4.21Å; V127-W142 HydrophobicContact CG1-CB 3.87Å; V127-W142 HydrophobicContact CG1-CG 4.31Å; D128-W142 WeakPolarHBondContact O-CA 3.2Å; V140-W142 HydrophobicContact CB-CH2 4.19Å; V140-W142 HydrophobicContact CB-CZ2 4.28Å; V140-W142 HydrophobicContact CB-CZ3 4.44Å; V140-W142 HydrophobicContact CG1-CD2 3.89Å; V140-W142 VanDerWaalsContact CG1-CE2 3.46Å; V140-W142 HydrophobicContact CG1-CE3 4.19Å; V140-W142 HydrophobicContact CG1-CH2 3.81Å; V140-W142 HydrophobicContact CG1-CZ2 3.43Å; V140-W142 VanDerWaalsContact CG1-CZ2 3.43Å; V140-W142 HydrophobicContact CG1-CZ3 4.17Å; W142-F144 HydrophobicContact CB-CD2 4.23Å; W142-F144 HydrophobicContact CB-CE2 3.61Å; W142-F144 HydrophobicContact CB-CZ 4.24Å; W142-I156 WeakPolarHBondContact O-CA 3.1Å; W142-V157 HydrophobicContact CB-CG1 4.06Å; W142-V157 HydrophobicContact CE3-CG1 3.84Å; W142-V157 PolarHBondContact N-O 3.18Å; W142-V157 PolarHBondContact O-N 3.47Å; W142-T159 WeakPolarHBondContact CZ3-OG1 3.24Å |
| 143 | S | 95.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 97.5 | 177.6 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | D128 H145 | D128-S143 PolarHBondContact N-O 3.46Å; D128-S143 PolarHBondContact O-N 3Å; S143-H145 PolarHBondContact O-ND1 2.91Å |
| 144 | F | 94.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.9 | 176.8 | -61.9 | -101.5 | 0 | 0 | 0 | 108.9 | T119 V121 F125 E126 V127 W142 T154 F155 V157 | T119-F144 HydrophobicContact CG2-CE2 4.08Å; T119-F144 HydrophobicContact CG2-CZ 4.29Å; V121-F144 HydrophobicContact CB-CD1 4.38Å; V121-F144 HydrophobicContact CG2-CD1 4.21Å; V121-F144 HydrophobicContact CG2-CD2 4.33Å; V121-F144 HydrophobicContact CG2-CE1 4.49Å; V121-F144 HydrophobicContact CG2-CG 4.13Å; F125-F144 HydrophobicContact CB-CB 4.11Å; F125-F144 HydrophobicContact CB-CD1 4.12Å; F125-F144 HydrophobicContact CD1-CB 3.91Å; F125-F144 HydrophobicContact CG-CB 4.18Å; E126-F144 CarbonylContact O-C 3.49Å; E126-F144 WeakPolarHBondContact O-CA 3.33Å; V127-F144 HydrophobicContact CG1-CD1 4.37Å; V127-F144 HydrophobicContact CG1-CE1 4.27Å; V127-F144 HydrophobicContact CG1-CE2 4.47Å; V127-F144 HydrophobicContact CG1-CZ 4.33Å; V127-F144 HydrophobicContact CG2-CD1 3.45Å; V127-F144 VanDerWaalsContact CG2-CD1 3.45Å; V127-F144 HydrophobicContact CG2-CE1 3.56Å; V127-F144 HydrophobicContact CG2-CG 4.21Å; V127-F144 HydrophobicContact CG2-CZ 4.39Å; W142-F144 HydrophobicContact CB-CD2 4.23Å; W142-F144 HydrophobicContact CB-CE2 3.61Å; W142-F144 HydrophobicContact CB-CZ 4.24Å; F144-T154 CarbonylContact O-C 3.57Å; F144-T154 VanDerWaalsContact O-CA 3.28Å; F144-T154 WeakPolarHBondContact O-CA 3.34Å; F144-F155 HydrophobicContact CB-CB 4.25Å; F144-F155 HydrophobicContact CB-CD1 4.48Å; F144-F155 WeakPolarHBondContact CB-O 3.43Å; F144-F155 AromaticContact CD2-CD1 3.64Å; F144-F155 HydrophobicContact CD2-CD1 3.64Å; F144-F155 HydrophobicContact CD2-CE1 4.28Å; F144-F155 WeakPolarHBondContact CD2-O 3.35Å; F144-F155 HydrophobicContact CE2-CD1 4.18Å; F144-F155 HydrophobicContact CE2-CE1 4.37Å; F144-F155 HydrophobicContact CG-CD1 4.25Å; F144-F155 PolarHBondContact N-O 3.36Å; F144-F155 PolarHBondContact O-N 3.27Å; F144-V157 HydrophobicContact CE2-CG1 3.94Å |
| 145 | H | 93.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148 | 178 | 60.8 | -86.2 | 0 | 0 | 0 | 112.1 | F125 E126 D128 S143 L153 T154 | F125-H145 CarbonylContact C-O 3.45Å; F125-H145 WeakPolarHBondContact CA-O 3.26Å; E126-H145 PolarHBondContact N-O 3.46Å; E126-H145 PolarHBondContact O-N 3.5Å; E126-H145 IonicContact OE2-NE2 3.74Å; D128-H145 IonicContact OD1-CE1 2.63Å; D128-H145 IonicContact OD2-CE1 3.72Å; D128-H145 PolarHBondContact OD2-CE1 2.88Å; D128-H145 IonicContact OD2-ND1 2.66Å; S143-H145 PolarHBondContact O-ND1 2.91Å; H145-L153 VanDerWaalsContact CA-O 3.28Å; H145-L153 WeakPolarHBondContact CA-O 3.18Å; H145-T154 HydrophobicContact CB-CG2 4.39Å |
| 146 | T | 92.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | trans | -89.5 | 141.9 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 111 | F125 D148 T151 L153 | F125-T146 HydrophobicContact CD1-CG2 3.84Å; F125-T146 HydrophobicContact CE1-CG2 3.62Å; F125-T146 HydrophobicContact CG-CG2 4.49Å; F125-T146 HydrophobicContact CZ-CG2 4.08Å; T146-D148 VanDerWaalsContact C-N 3.26Å; T146-D148 PolarHBondContact O-N 3.28Å; T146-T151 PolarHBondContact OG1-O 3Å; T146-L153 HydrophobicContact CG2-CB 3.87Å; T146-L153 HydrophobicContact CG2-CD1 4.49Å; T146-L153 HydrophobicContact CG2-CG 4.41Å; T146-L153 PolarHBondContact N-O 3.46Å; T146-L153 VanDerWaalsContact N-O 3.1Å; T146-L153 PolarHBondContact OG1-N 3.3Å | ||
| 147 | S | 84.7 | Confident | 91.2 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 53% | 0.531 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -74.4 | -16.5 | 174.9 | -18.4 | 0 | 0 | 0 | 0 | 113 | E126 K149 | E126-S147 VanDerWaalsContact CD-OG 3.29Å; E126-S147 WeakPolarHBondContact OE1-CB 3.45Å; E126-S147 PolarHBondContact OE1-OG 3.21Å; S147-K149 PolarHBondContact O-N 3.4Å |
| 148 | D | 81.4 | Confident | 91.2 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | trans | -66.5 | 119.1 | 177 | -169.5 | -14.1 | 0 | 0 | 0 | 111 | T146 N150 T151 R152 | T146-D148 VanDerWaalsContact C-N 3.26Å; T146-D148 PolarHBondContact O-N 3.28Å; D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 2.7Å; D148-N150 WeakPolarHBondContact OD1-CB 3.26Å; D148-N150 PolarHBondContact OD1-N 3.32Å; D148-T151 CarbonylContact O-C 3.55Å; D148-T151 PolarHBondContact OD2-OG1 3.05Å; D148-R152 WeakPolarHBondContact O-CG 3.26Å; D148-R152 PolarHBondContact O-N 3.32Å | ||
| 149 | K | 75.1 | Confident | 91.2 | Very high | 181 Ų | 181 | 49.2 Ų | 49.2 | 79% | 0.787 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -67.8 | -26.9 | 178.3 | -67.1 | -176.1 | 179.4 | 178.8 | 0 | 112.9 | S147 | S147-K149 PolarHBondContact O-N 3.4Š|
| 150 | N | 79.5 | Confident | 91.2 | Very high | 153 Ų | 153 | 49.6 Ų | 49.6 | 82% | 0.818 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -81.3 | -32 | -178.3 | -65.8 | -28.5 | 0 | 0 | 0 | 111.9 | D148 | D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 2.7Å; D148-N150 WeakPolarHBondContact OD1-CB 3.26Å; D148-N150 PolarHBondContact OD1-N 3.32Å |
| 151 | T | 82.1 | Confident | 91.1 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -125.2 | 62.4 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | T146 D148 L153 | T146-T151 PolarHBondContact OG1-O 3Å; D148-T151 CarbonylContact O-C 3.55Å; D148-T151 PolarHBondContact OD2-OG1 3.05Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 2.96Å |
| 152 | R | 86.1 | Confident | 91.1 | Very high | 195 Ų | 195 | 50 Ų | 50 | 74% | 0.736 | 25% | 0.253 | S | S | * | . | trans | -65.9 | 91.4 | 176.6 | -60.7 | -175.2 | 98.7 | -177.5 | 5.6 | 109.6 | D148 | D148-R152 WeakPolarHBondContact O-CG 3.26Å; D148-R152 PolarHBondContact O-N 3.32Å | ||
| 153 | L | 92.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | trans | -93.7 | 138 | 173.8 | -58.8 | 179.7 | 0 | 0 | 0 | 108.8 | F125 H145 T146 T151 I178 | F125-L153 HydrophobicContact CE1-CB 3.96Å; F125-L153 HydrophobicContact CZ-CB 4.28Å; F125-L153 HydrophobicContact CZ-CD1 4.47Å; H145-L153 VanDerWaalsContact CA-O 3.28Å; H145-L153 WeakPolarHBondContact CA-O 3.18Å; T146-L153 HydrophobicContact CG2-CB 3.87Å; T146-L153 HydrophobicContact CG2-CD1 4.49Å; T146-L153 HydrophobicContact CG2-CG 4.41Å; T146-L153 PolarHBondContact N-O 3.46Å; T146-L153 VanDerWaalsContact N-O 3.1Å; T146-L153 PolarHBondContact OG1-N 3.3Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 2.96Å; L153-I178 HydrophobicContact CB-CD1 4.25Å; L153-I178 HydrophobicContact CB-CG1 4.1Å; L153-I178 HydrophobicContact CD1-CG1 4.13Å; L153-I178 HydrophobicContact CG-CG1 4.48Å | ||
| 154 | T | 94 | Very high | 90.7 | Very high | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.9 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 110 | F144 H145 G173 I174 S175 I178 | F144-T154 CarbonylContact O-C 3.57Å; F144-T154 VanDerWaalsContact O-CA 3.28Å; F144-T154 WeakPolarHBondContact O-CA 3.34Å; H145-T154 HydrophobicContact CB-CG2 4.39Å; T154-G173 CarbonylContact C-O 3.57Å; T154-G173 WeakPolarHBondContact CB-O 3.28Å; T154-G173 PolarHBondContact OG1-O 2.79Å; T154-I174 WeakPolarHBondContact O-CA 3.41Å; T154-S175 PolarHBondContact N-OG 3.35Å; T154-S175 PolarHBondContact O-N 2.89Å; T154-S175 PolarHBondContact OG1-OG 3.44Å; T154-I178 WeakPolarHBondContact O-CD1 3.22Å |
| 155 | F | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 121.2 | 171.3 | 172.4 | -90.6 | 0 | 0 | 0 | 108 | T119 V121 F144 V157 Y171 I174 I178 R183 I210 | T119-F155 HydrophobicContact CG2-CE1 3.74Å; T119-F155 HydrophobicContact CG2-CZ 4.36Å; V121-F155 HydrophobicContact CG2-CB 4.29Å; V121-F155 HydrophobicContact CG2-CD1 3.28Å; V121-F155 HydrophobicContact CG2-CD2 4.43Å; V121-F155 HydrophobicContact CG2-CE1 3.53Å; V121-F155 HydrophobicContact CG2-CG 3.77Å; V121-F155 HydrophobicContact CG2-CZ 4.22Å; F144-F155 HydrophobicContact CB-CB 4.25Å; F144-F155 HydrophobicContact CB-CD1 4.48Å; F144-F155 WeakPolarHBondContact CB-O 3.43Å; F144-F155 AromaticContact CD2-CD1 3.64Å; F144-F155 HydrophobicContact CD2-CD1 3.64Å; F144-F155 HydrophobicContact CD2-CE1 4.28Å; F144-F155 WeakPolarHBondContact CD2-O 3.35Å; F144-F155 HydrophobicContact CE2-CD1 4.18Å; F144-F155 HydrophobicContact CE2-CE1 4.37Å; F144-F155 HydrophobicContact CG-CD1 4.25Å; F144-F155 PolarHBondContact N-O 3.36Å; F144-F155 PolarHBondContact O-N 3.27Å; F155-V157 HydrophobicContact CE1-CB 4.16Å; F155-V157 HydrophobicContact CE1-CG1 4.16Å; F155-Y171 HydrophobicContact CE1-CD1 4.44Å; F155-Y171 AromaticContact CE2-CD1 3.9Å; F155-Y171 HydrophobicContact CE2-CD1 3.9Å; F155-Y171 HydrophobicContact CE2-CE1 4.41Å; F155-Y171 AromaticContact CZ-CD1 3.54Å; F155-Y171 HydrophobicContact CZ-CD1 3.54Å; F155-Y171 AromaticContact CZ-CE1 3.72Å; F155-Y171 HydrophobicContact CZ-CE1 3.72Å; F155-I174 HydrophobicContact CD2-CB 4.43Å; F155-I174 HydrophobicContact CD2-CD1 3.85Å; F155-I174 HydrophobicContact CD2-CG1 3.67Å; F155-I174 HydrophobicContact CD2-CG2 4.21Å; F155-I174 HydrophobicContact CE2-CD1 3.77Å; F155-I174 HydrophobicContact CE2-CG1 4.09Å; F155-I178 HydrophobicContact CB-CD1 3.68Å; F155-R183 HydrophobicContact CD2-CG 4.28Å; F155-R183 HydrophobicContact CE2-CB 4.28Å; F155-R183 HydrophobicContact CE2-CG 3.99Å; F155-I210 HydrophobicContact CE2-CG2 3.87Å; F155-I210 HydrophobicContact CZ-CG2 4.32Å |
| 156 | I | 94.9 | Very high | 90.4 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.5 | -178.2 | -55.4 | 173.9 | 0 | 0 | 0 | 108 | K141 W142 Y171 E172 | K141-I156 HydrophobicContact CD-CG2 4.08Å; K141-I156 HydrophobicContact CG-CG2 3.89Å; W142-I156 WeakPolarHBondContact O-CA 3.1Å; I156-Y171 WeakPolarHBondContact O-CA 3.16Å; I156-E172 HydrophobicContact CB-CG 3.81Å; I156-E172 WeakPolarHBondContact CB-O 3.27Å; I156-E172 HydrophobicContact CD1-CG 4.38Å; I156-E172 HydrophobicContact CG2-CG 3.96Å; I156-E172 PolarHBondContact N-O 3.39Å; I156-E172 PolarHBondContact O-N 3.14Å |
| 157 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.5 | 169.9 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | T119 K141 W142 F144 F155 Y170 Y171 | T119-V157 HydrophobicContact CG2-CB 4.06Å; T119-V157 HydrophobicContact CG2-CG1 3.37Å; T119-V157 HydrophobicContact CG2-CG2 4.33Å; K141-V157 WeakPolarHBondContact CA-O 3.32Å; W142-V157 HydrophobicContact CB-CG1 4.06Å; W142-V157 HydrophobicContact CE3-CG1 3.84Å; W142-V157 PolarHBondContact N-O 3.18Å; W142-V157 PolarHBondContact O-N 3.47Å; F144-V157 HydrophobicContact CE2-CG1 3.94Å; F155-V157 HydrophobicContact CE1-CB 4.16Å; F155-V157 HydrophobicContact CE1-CG1 4.16Å; V157-Y170 CarbonylContact C-O 3.52Å; V157-Y170 WeakPolarHBondContact CA-O 3.15Å; V157-Y171 HydrophobicContact CB-CD1 4.19Å; V157-Y171 HydrophobicContact CB-CE1 4.29Å; V157-Y171 HydrophobicContact CG2-CD1 4.2Å; V157-Y171 HydrophobicContact CG2-CE1 3.96Å |
| 158 | T | 96.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.5 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | I68 F73 V140 K141 F169 Y170 | I68-T158 HydrophobicContact CD1-CG2 3.43Å; I68-T158 VanDerWaalsContact CD1-CG2 3.43Å; F73-T158 HydrophobicContact CZ-CG2 4.36Å; V140-T158 CarbonylContact O-C 3.59Å; V140-T158 WeakPolarHBondContact O-CA 3.45Å; K141-T158 HydrophobicContact CB-CG2 4.15Å; K141-T158 WeakPolarHBondContact CG-OG1 2.97Å; T158-F169 WeakPolarHBondContact O-CA 3.22Å; T158-Y170 PolarHBondContact N-O 2.87Å; T158-Y170 PolarHBondContact O-N 2.92Å |
| 159 | T | 96 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.6 | 171.8 | -58.2 | 0 | 0 | 0 | 0 | 108.9 | L106 F117 A139 V140 W142 I161 L168 F169 | L106-T159 HydrophobicContact CD2-CG2 4.38Å; F117-T159 HydrophobicContact CD2-CG2 3.88Å; F117-T159 HydrophobicContact CE2-CG2 4.19Å; A139-T159 CarbonylContact C-O 3.54Å; A139-T159 WeakPolarHBondContact CA-O 3.21Å; V140-T159 PolarHBondContact N-O 3.42Å; V140-T159 PolarHBondContact O-N 3.24Å; W142-T159 WeakPolarHBondContact CZ3-OG1 3.24Å; T159-I161 HydrophobicContact CG2-CG1 4.41Å; T159-L168 CarbonylContact C-O 3.6Å; T159-L168 VanDerWaalsContact CA-O 3.3Å; T159-L168 WeakPolarHBondContact CA-O 3.22Å; T159-F169 HydrophobicContact CG2-CD1 4.04Å; T159-F169 HydrophobicContact CG2-CE1 3.63Å; T159-F169 HydrophobicContact CG2-CZ 4.21Å; T159-F169 VanDerWaalsContact OG1-CD1 3.26Å; T159-F169 WeakPolarHBondContact OG1-CD1 3.28Å; T159-F169 VanDerWaalsContact OG1-CE1 3.32Å; T159-F169 WeakPolarHBondContact OG1-CE1 3.2Å |
| 160 | L | 96.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.3 | 176.8 | 175 | 64.5 | 0 | 0 | 0 | 109.2 | I68 W132 L138 A139 H162 I167 L168 | I68-L160 HydrophobicContact CD1-CB 4.24Å; I68-L160 HydrophobicContact CD1-CD1 4.28Å; I68-L160 HydrophobicContact CD1-CD2 4.31Å; I68-L160 HydrophobicContact CG1-CD2 4.01Å; W132-L160 HydrophobicContact CZ3-CD1 4.26Å; L138-L160 CarbonylContact O-C 3.57Å; L138-L160 WeakPolarHBondContact O-CA 3.2Å; A139-L160 HydrophobicContact CB-CD1 3.93Å; L160-H162 VanDerWaalsContact CD2-NE2 3.27Å; L160-H162 WeakPolarHBondContact CD2-NE2 3.27Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.04Å; L160-L168 HydrophobicContact CB-CB 4.24Å; L160-L168 HydrophobicContact CD2-CD2 4.46Å; L160-L168 PolarHBondContact N-O 3.11Å; L160-L168 PolarHBondContact O-N 2.91Å |
| 161 | I | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.9 | 176.6 | -57.9 | 176.8 | 0 | 0 | 0 | 107.2 | F86 F88 F98 L106 F117 S137 L138 T159 | F86-I161 HydrophobicContact CE2-CG2 4.33Å; F88-I161 HydrophobicContact CD1-CG2 4.15Å; F88-I161 HydrophobicContact CD2-CG2 3.54Å; F88-I161 HydrophobicContact CE1-CG2 4.07Å; F88-I161 HydrophobicContact CE2-CG2 3.45Å; F88-I161 VanDerWaalsContact CE2-CG2 3.45Å; F88-I161 HydrophobicContact CG-CG2 3.91Å; F88-I161 HydrophobicContact CZ-CG2 3.72Å; F98-I161 HydrophobicContact CD1-CD1 4.25Å; F98-I161 HydrophobicContact CE1-CD1 3.41Å; F98-I161 VanDerWaalsContact CE1-CD1 3.41Å; F98-I161 HydrophobicContact CZ-CD1 3.84Å; F98-I161 HydrophobicContact CZ-CG2 4.47Å; L106-I161 HydrophobicContact CD2-CD1 3.82Å; F117-I161 HydrophobicContact CE2-CD1 3.92Å; F117-I161 HydrophobicContact CE2-CG1 4.34Å; S137-I161 CarbonylContact C-O 3.49Å; S137-I161 WeakPolarHBondContact CA-O 3.42Å; S137-I161 WeakPolarHBondContact CB-O 3.12Å; L138-I161 HydrophobicContact CD2-CD1 4.49Å; L138-I161 PolarHBondContact N-O 3.21Å; L138-I161 PolarHBondContact O-N 3.26Å; T159-I161 HydrophobicContact CG2-CG1 4.41Å |
| 162 | H | 95 | Very high | 94.2 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 153.4 | 176.4 | -69.8 | -66.8 | 0 | 0 | 0 | 111.7 | S137 L160 N164 G165 K166 L168 | S137-H162 PolarHBondContact OG-ND1 2.02Å; L160-H162 VanDerWaalsContact CD2-NE2 3.27Å; L160-H162 WeakPolarHBondContact CD2-NE2 3.27Å; H162-N164 WeakPolarHBondContact CB-OD1 3.46Å; H162-N164 PolarHBondContact O-N 2.9Å; H162-G165 PolarHBondContact O-N 3.07Å; H162-K166 HydrophobicContact CB-CB 4.45Å; H162-K166 PolarHBondContact N-O 3.32Å; H162-L168 VanDerWaalsContact CD2-CD1 3.48Å; H162-L168 WeakPolarHBondContact CD2-CD1 3.45Å |
| 163 | S | 93.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 26 Ų | 26 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.1 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | E136 G165 | E136-S163 WeakPolarHBondContact O-CB 3.11Å; E136-S163 PolarHBondContact O-N 3.34Å; E136-S163 PolarHBondContact O-OG 3.45Å; S163-G165 PolarHBondContact O-N 3.29Å |
| 164 | N | 89.5 | Confident | 94.6 | Very high | 109 Ų | 109 | 25 Ų | 25 | 58% | 0.583 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | 0.5 | 174.5 | 69.2 | 3.8 | 0 | 0 | 0 | 113.8 | H162 K166 | H162-N164 WeakPolarHBondContact CB-OD1 3.46Å; H162-N164 PolarHBondContact O-N 2.9Å; N164-K166 WeakPolarHBondContact OD1-CB 3.44Å; N164-K166 WeakPolarHBondContact OD1-CG 3.39Å; N164-K166 PolarHBondContact OD1-N 2.86Å |
| 165 | G | 90.5 | Very high | 94.5 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 89.7 | -3.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | H162 S163 | H162-G165 PolarHBondContact O-N 3.07Å; S163-G165 PolarHBondContact O-N 3.29Å |
| 166 | K | 92.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 34.1 Ų | 34.1 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | trans | -70 | 136.7 | 173.2 | -68.9 | -170 | 176.6 | -168.1 | 0 | 110.6 | H162 N164 L168 Y218 D257 | H162-K166 HydrophobicContact CB-CB 4.45Å; H162-K166 PolarHBondContact N-O 3.32Å; N164-K166 WeakPolarHBondContact OD1-CB 3.44Å; N164-K166 WeakPolarHBondContact OD1-CG 3.39Å; N164-K166 PolarHBondContact OD1-N 2.86Å; K166-L168 HydrophobicContact CB-CD1 3.9Å; K166-Y218 WeakPolarHBondContact CA-O 3.34Å; K166-D257 IonicContact NZ-OD2 3.86Å; K166-D257 PolarHBondContact NZ-OD2 2.98Å | ||
| 167 | I | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 123.1 | 176.5 | -55.1 | 151.6 | 0 | 0 | 0 | 107.6 | Y56 F88 F90 F117 L160 F169 F187 E217 Y218 | Y56-I167 HydrophobicContact CE1-CD1 3.87Å; F88-I167 HydrophobicContact CE2-CD1 4.45Å; F88-I167 HydrophobicContact CE2-CG1 4.1Å; F88-I167 HydrophobicContact CZ-CD1 3.98Å; F88-I167 HydrophobicContact CZ-CG1 3.93Å; F90-I167 HydrophobicContact CE2-CD1 4.47Å; F117-I167 HydrophobicContact CE1-CG2 4.49Å; F117-I167 HydrophobicContact CE2-CG2 3.73Å; F117-I167 HydrophobicContact CZ-CD1 3.9Å; F117-I167 HydrophobicContact CZ-CG1 4.28Å; F117-I167 HydrophobicContact CZ-CG2 3.67Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.04Å; I167-F169 HydrophobicContact CG2-CD2 4.39Å; I167-F169 HydrophobicContact CG2-CE2 3.59Å; I167-F169 HydrophobicContact CG2-CZ 3.8Å; I167-F187 HydrophobicContact CD1-CE2 3.92Å; I167-F187 HydrophobicContact CD1-CZ 4.31Å; I167-E217 CarbonylContact O-C 3.57Å; I167-E217 WeakPolarHBondContact O-CA 2.98Å; I167-Y218 PolarHBondContact N-O 2.68Å; I167-Y218 PolarHBondContact O-N 2.63Å |
| 168 | L | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.5 | -176.5 | -62.3 | 74 | 0 | 0 | 0 | 109.6 | P67 T159 L160 H162 K166 L215 V216 E217 | P67-L168 HydrophobicContact CB-CD2 4.29Å; P67-L168 HydrophobicContact CG-CD2 4.46Å; T159-L168 CarbonylContact C-O 3.6Å; T159-L168 VanDerWaalsContact CA-O 3.3Å; T159-L168 WeakPolarHBondContact CA-O 3.22Å; L160-L168 HydrophobicContact CB-CB 4.24Å; L160-L168 HydrophobicContact CD2-CD2 4.46Å; L160-L168 PolarHBondContact N-O 3.11Å; L160-L168 PolarHBondContact O-N 2.91Å; H162-L168 VanDerWaalsContact CD2-CD1 3.48Å; H162-L168 WeakPolarHBondContact CD2-CD1 3.45Å; K166-L168 HydrophobicContact CB-CD1 3.9Å; L168-L215 HydrophobicContact CB-CD1 4.15Å; L168-L215 HydrophobicContact CD2-CD1 4.22Å; L168-V216 CarbonylContact C-O 3.48Å; L168-V216 VanDerWaalsContact CA-O 3.29Å; L168-V216 WeakPolarHBondContact CA-O 3.16Å; L168-E217 HydrophobicContact CG-CG 4.24Å |
| 169 | F | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.2 | 169.3 | -57.2 | -90.9 | 0 | 0 | 0 | 108.7 | F117 T158 T159 I167 Y171 L185 F187 L215 V216 Y218 | F117-F169 HydrophobicContact CB-CE1 3.99Å; F117-F169 HydrophobicContact CB-CZ 4.1Å; F117-F169 AromaticContact CD1-CZ 3.79Å; F117-F169 HydrophobicContact CD1-CZ 3.79Å; F117-F169 AromaticContact CD2-CE1 3.96Å; F117-F169 HydrophobicContact CD2-CE1 3.96Å; F117-F169 AromaticContact CD2-CZ 3.72Å; F117-F169 HydrophobicContact CD2-CZ 3.72Å; F117-F169 HydrophobicContact CE1-CZ 4.15Å; F117-F169 HydrophobicContact CE2-CZ 4.07Å; F117-F169 AromaticContact CG-CE1 3.91Å; F117-F169 HydrophobicContact CG-CE1 3.91Å; F117-F169 AromaticContact CG-CZ 3.59Å; F117-F169 HydrophobicContact CG-CZ 3.59Å; F117-F169 HydrophobicContact CZ-CZ 4.29Å; T158-F169 WeakPolarHBondContact O-CA 3.22Å; T159-F169 HydrophobicContact CG2-CD1 4.04Å; T159-F169 HydrophobicContact CG2-CE1 3.63Å; T159-F169 HydrophobicContact CG2-CZ 4.21Å; T159-F169 VanDerWaalsContact OG1-CD1 3.26Å; T159-F169 WeakPolarHBondContact OG1-CD1 3.28Å; T159-F169 VanDerWaalsContact OG1-CE1 3.32Å; T159-F169 WeakPolarHBondContact OG1-CE1 3.2Å; I167-F169 HydrophobicContact CG2-CD2 4.39Å; I167-F169 HydrophobicContact CG2-CE2 3.59Å; I167-F169 HydrophobicContact CG2-CZ 3.8Å; F169-Y171 HydrophobicContact CB-CE2 4.05Å; F169-L185 HydrophobicContact CB-CD2 3.98Å; F169-L185 HydrophobicContact CD1-CD1 3.85Å; F169-L185 HydrophobicContact CD1-CD2 3.53Å; F169-L185 HydrophobicContact CD1-CG 4.36Å; F169-L185 HydrophobicContact CD2-CD2 3.57Å; F169-L185 HydrophobicContact CE1-CD1 3.71Å; F169-L185 HydrophobicContact CE1-CD2 3.81Å; F169-L185 HydrophobicContact CE1-CG 4.39Å; F169-L185 HydrophobicContact CE2-CD2 3.84Å; F169-L185 HydrophobicContact CG-CD2 3.4Å; F169-L185 HydrophobicContact CZ-CD1 4.33Å; F169-L185 HydrophobicContact CZ-CD2 3.96Å; F169-F187 HydrophobicContact CE2-CD2 4.4Å; F169-L215 WeakPolarHBondContact O-CA 3.36Å; F169-V216 HydrophobicContact CB-CB 4.25Å; F169-V216 HydrophobicContact CD2-CB 4.49Å; F169-V216 PolarHBondContact N-O 2.94Å; F169-V216 PolarHBondContact O-N 2.92Å; F169-Y218 AromaticContact CD2-CD2 3.98Å; F169-Y218 HydrophobicContact CD2-CD2 3.98Å; F169-Y218 AromaticContact CD2-CE2 3.81Å; F169-Y218 HydrophobicContact CD2-CE2 3.81Å; F169-Y218 AromaticContact CE2-CD2 3.67Å; F169-Y218 HydrophobicContact CE2-CD2 3.67Å; F169-Y218 AromaticContact CE2-CE2 3.59Å; F169-Y218 HydrophobicContact CE2-CE2 3.59Å |
| 170 | Y | 96.7 | Very high | 92.6 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131 | 178.2 | -178.5 | -104.6 | 0 | 0 | 0 | 110.5 | Q64 S66 V157 T158 E172 T214 L215 | Q64-Y170 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y170 PolarHBondContact O-OH 2.93Å; S66-Y170 PolarHBondContact N-OH 3.37Å; V157-Y170 CarbonylContact C-O 3.52Å; V157-Y170 WeakPolarHBondContact CA-O 3.15Å; T158-Y170 PolarHBondContact N-O 2.87Å; T158-Y170 PolarHBondContact O-N 2.92Å; Y170-E172 HydrophobicContact CD1-CB 4.46Å; Y170-E172 HydrophobicContact CD1-CG 4.47Å; Y170-E172 HydrophobicContact CE1-CB 3.78Å; Y170-E172 HydrophobicContact CE1-CG 4.05Å; Y170-T214 WeakPolarHBondContact CA-O 3.23Å; Y170-L215 HydrophobicContact CD2-CB 4.45Å; Y170-L215 HydrophobicContact CD2-CD1 4.27Å |
| 171 | Y | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.7 | -177.6 | -57.9 | -92.9 | 0 | 0 | 0 | 111.8 | F155 I156 V157 F169 L185 I210 G213 T214 V216 | F155-Y171 HydrophobicContact CE1-CD1 4.44Å; F155-Y171 AromaticContact CE2-CD1 3.9Å; F155-Y171 HydrophobicContact CE2-CD1 3.9Å; F155-Y171 HydrophobicContact CE2-CE1 4.41Å; F155-Y171 AromaticContact CZ-CD1 3.54Å; F155-Y171 HydrophobicContact CZ-CD1 3.54Å; F155-Y171 AromaticContact CZ-CE1 3.72Å; F155-Y171 HydrophobicContact CZ-CE1 3.72Å; I156-Y171 WeakPolarHBondContact O-CA 3.16Å; V157-Y171 HydrophobicContact CB-CD1 4.19Å; V157-Y171 HydrophobicContact CB-CE1 4.29Å; V157-Y171 HydrophobicContact CG2-CD1 4.2Å; V157-Y171 HydrophobicContact CG2-CE1 3.96Å; F169-Y171 HydrophobicContact CB-CE2 4.05Å; Y171-L185 WeakPolarHBondContact OH-CB 3.46Å; Y171-L185 WeakPolarHBondContact OH-CD2 3.21Å; Y171-I210 HydrophobicContact CD1-CG2 3.53Å; Y171-I210 HydrophobicContact CD2-CG2 4.32Å; Y171-I210 HydrophobicContact CE1-CD1 4.31Å; Y171-I210 HydrophobicContact CE1-CG1 4.49Å; Y171-I210 HydrophobicContact CE1-CG2 3.74Å; Y171-I210 HydrophobicContact CE2-CG1 4.49Å; Y171-I210 HydrophobicContact CG-CG2 3.82Å; Y171-G213 PolarHBondContact O-N 2.86Å; Y171-T214 HydrophobicContact CD2-CG2 3.94Å; Y171-T214 HydrophobicContact CE2-CG2 4.37Å; Y171-T214 PolarHBondContact N-O 3.21Å; Y171-V216 HydrophobicContact CE2-CG2 3.93Å |
| 172 | E | 95.4 | Very high | 91.3 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 175.5 | 178.5 | 69.1 | -176.5 | 154 | 0 | 0 | 112.2 | I156 Y170 I174 N212 | I156-E172 HydrophobicContact CB-CG 3.81Å; I156-E172 WeakPolarHBondContact CB-O 3.27Å; I156-E172 HydrophobicContact CD1-CG 4.38Å; I156-E172 HydrophobicContact CG2-CG 3.96Å; I156-E172 PolarHBondContact N-O 3.39Å; I156-E172 PolarHBondContact O-N 3.14Å; Y170-E172 HydrophobicContact CD1-CB 4.46Å; Y170-E172 HydrophobicContact CD1-CG 4.47Å; Y170-E172 HydrophobicContact CE1-CB 3.78Å; Y170-E172 HydrophobicContact CE1-CG 4.05Å; E172-I174 PolarHBondContact O-N 2.94Å; E172-N212 WeakPolarHBondContact CA-OD1 3.38Å |
| 173 | G | 93.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | trans | 59.1 | 18.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T154 S175 N212 | T154-G173 CarbonylContact C-O 3.57Å; T154-G173 WeakPolarHBondContact CB-O 3.28Å; T154-G173 PolarHBondContact OG1-O 2.79Å; G173-S175 PolarHBondContact O-N 2.71Å; G173-N212 PolarHBondContact N-OD1 3.09Å | ||
| 174 | I | 93.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | trans | -71.2 | 112.3 | -178.7 | -50.3 | -174.2 | 0 | 0 | 0 | 109.5 | T154 F155 E172 I178 I210 N212 | T154-I174 WeakPolarHBondContact O-CA 3.41Å; F155-I174 HydrophobicContact CD2-CB 4.43Å; F155-I174 HydrophobicContact CD2-CD1 3.85Å; F155-I174 HydrophobicContact CD2-CG1 3.67Å; F155-I174 HydrophobicContact CD2-CG2 4.21Å; F155-I174 HydrophobicContact CE2-CD1 3.77Å; F155-I174 HydrophobicContact CE2-CG1 4.09Å; E172-I174 PolarHBondContact O-N 2.94Å; I174-I178 HydrophobicContact CG2-CB 4.4Å; I174-I210 HydrophobicContact CD1-CG2 3.92Å; I174-N212 WeakPolarHBondContact CB-OD1 3.37Å; I174-N212 WeakPolarHBondContact CG1-OD1 3.35Å; I174-N212 PolarHBondContact N-OD1 3.27Å; I174-N212 PolarHBondContact O-ND2 2.74Å | ||
| 175 | S | 93.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | trans | -68.8 | 141.5 | 175.3 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | T154 G173 G177 I178 | T154-S175 PolarHBondContact N-OG 3.35Å; T154-S175 PolarHBondContact O-N 2.89Å; T154-S175 PolarHBondContact OG1-OG 3.44Å; G173-S175 PolarHBondContact O-N 2.71Å; S175-G177 PolarHBondContact O-N 3.18Å; S175-I178 PolarHBondContact O-N 2.02Å | ||
| 176 | K | 88.7 | Confident | 90 | Very high | 221 Ų | 221 | 50.5 Ų | 50.5 | 96% | 0.961 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.1 | -178.6 | -68.2 | -176.6 | 179.4 | 179.6 | 0 | 114.2 | I178 | K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.31Å |
| 177 | G | 86.7 | Confident | 89.7 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -13.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S175 K179 | S175-G177 PolarHBondContact O-N 3.18Å; G177-K179 PolarHBondContact O-N 2.95Å |
| 178 | I | 86.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -83.6 | 111.5 | 176.5 | -57.4 | -178.7 | 0 | 0 | 0 | 108.7 | V121 F125 L153 T154 F155 I174 S175 K176 Q182 R183 | V121-I178 HydrophobicContact CG1-CG2 4.28Å; F125-I178 HydrophobicContact CE1-CD1 4.06Å; F125-I178 HydrophobicContact CZ-CD1 3.96Å; F125-I178 HydrophobicContact CZ-CG1 4.24Å; L153-I178 HydrophobicContact CB-CD1 4.25Å; L153-I178 HydrophobicContact CB-CG1 4.1Å; L153-I178 HydrophobicContact CD1-CG1 4.13Å; L153-I178 HydrophobicContact CG-CG1 4.48Å; T154-I178 WeakPolarHBondContact O-CD1 3.22Å; F155-I178 HydrophobicContact CB-CD1 3.68Å; I174-I178 HydrophobicContact CG2-CB 4.4Å; S175-I178 PolarHBondContact O-N 2.02Å; K176-I178 VanDerWaalsContact C-N 3.29Å; K176-I178 PolarHBondContact O-N 3.31Å; I178-Q182 HydrophobicContact CG2-CB 4.13Å; I178-R183 HydrophobicContact CG2-CG 3.58Å |
| 179 | K | 88.1 | Confident | 89.1 | Confident | 158 Ų | 158 | 52.2 Ų | 52.2 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | trans | -72.4 | 157.7 | -179.5 | -62.7 | -178.4 | -179.4 | 177.7 | 0 | 111.3 | G177 M181 Q182 | G177-K179 PolarHBondContact O-N 2.95Å; K179-M181 VanDerWaalsContact C-N 3.32Å; K179-M181 PolarHBondContact O-N 3.15Å; K179-Q182 HydrophobicContact CB-CG 4.29Å; K179-Q182 WeakPolarHBondContact O-CB 3.38Å; K179-Q182 PolarHBondContact O-N 3.11Å | ||
| 180 | E | 86.2 | Confident | 88.7 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -50.2 | -49.6 | 178.7 | -169.3 | -175.4 | 141.7 | 0 | 0 | 113.3 | Q182 R183 R208 | E180-Q182 PolarHBondContact O-N 3.36Å; E180-R183 PolarHBondContact O-N 3.37Å; E180-R183 VanDerWaalsContact O-N 3.16Å; E180-R208 VanDerWaalsContact CD-CA 3.42Å; E180-R208 VanDerWaalsContact CG-N 3.26Å; E180-R208 WeakPolarHBondContact OE1-CA 3.26Å; E180-R208 VanDerWaalsContact OE1-CB 3.3Å; E180-R208 WeakPolarHBondContact OE1-CB 2.98Å; E180-R208 PolarHBondContact OE1-N 2.93Å |
| 181 | M | 81.3 | Confident | 88 | Confident | 152 Ų | 152 | 53 Ų | 53 | 75% | 0.749 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -66.9 | -17.4 | -176.5 | -59 | -61.6 | 177.6 | 0 | 0 | 113.7 | K179 R183 | K179-M181 VanDerWaalsContact C-N 3.32Å; K179-M181 PolarHBondContact O-N 3.15Å; M181-R183 VanDerWaalsContact C-N 3.32Å |
| 182 | Q | 83 | Confident | 87.1 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -82.2 | -12.8 | 179 | -63.6 | 177.5 | -92.6 | 0 | 0 | 112.2 | V121 T122 I178 K179 E180 | V121-Q182 VanDerWaalsContact CA-O 3.23Å; V121-Q182 WeakPolarHBondContact CA-O 3.28Å; T122-Q182 PolarHBondContact N-O 3.49Å; T122-Q182 PolarHBondContact O-NE2 3.36Å; I178-Q182 HydrophobicContact CG2-CB 4.13Å; K179-Q182 HydrophobicContact CB-CG 4.29Å; K179-Q182 WeakPolarHBondContact O-CB 3.38Å; K179-Q182 PolarHBondContact O-N 3.11Å; E180-Q182 PolarHBondContact O-N 3.36Å |
| 183 | R | 84.7 | Confident | 86.3 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.2 | -174 | -57.1 | 173.9 | -60.1 | -159.3 | 10.1 | 109.4 | F155 I178 E180 M181 G207 I210 | F155-R183 HydrophobicContact CD2-CG 4.28Å; F155-R183 HydrophobicContact CE2-CB 4.28Å; F155-R183 HydrophobicContact CE2-CG 3.99Å; I178-R183 HydrophobicContact CG2-CG 3.58Å; E180-R183 PolarHBondContact O-N 3.37Å; E180-R183 VanDerWaalsContact O-N 3.16Å; M181-R183 VanDerWaalsContact C-N 3.32Å; R183-G207 PolarHBondContact NH2-O 3.24Å; R183-I210 HydrophobicContact CB-CB 4.44Å; R183-I210 HydrophobicContact CB-CD1 4.26Å; R183-I210 HydrophobicContact CB-CG2 4.18Å; R183-I210 PolarHBondContact NE-O 3.18Å; R183-I210 PolarHBondContact NH1-O 3.33Å; R183-I210 VanDerWaalsContact NH1-O 3.08Å; R183-I210 PolarHBondContact NH2-O 2.9Å |
| 184 | Q | 84.7 | Confident | 85.4 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.3 | 177.9 | -65.4 | -176.3 | -15.6 | 0 | 0 | 110.6 | Y120 | Y120-Q184 PolarHBondContact N-O 3.49Å; Y120-Q184 PolarHBondContact O-N 3.35Å; Y120-Q184 VanDerWaalsContact O-O 3.11Å |
| 185 | L | 85.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.7 | 160.8 | 174.3 | 73.3 | 0 | 0 | 0 | 107.2 | D118 T119 F169 Y171 V205 | D118-L185 WeakPolarHBondContact O-CA 3.44Å; T119-L185 WeakPolarHBondContact OG1-CD1 3.37Å; F169-L185 HydrophobicContact CB-CD2 3.98Å; F169-L185 HydrophobicContact CD1-CD1 3.85Å; F169-L185 HydrophobicContact CD1-CD2 3.53Å; F169-L185 HydrophobicContact CD1-CG 4.36Å; F169-L185 HydrophobicContact CD2-CD2 3.57Å; F169-L185 HydrophobicContact CE1-CD1 3.71Å; F169-L185 HydrophobicContact CE1-CD2 3.81Å; F169-L185 HydrophobicContact CE1-CG 4.39Å; F169-L185 HydrophobicContact CE2-CD2 3.84Å; F169-L185 HydrophobicContact CG-CD2 3.4Å; F169-L185 HydrophobicContact CZ-CD1 4.33Å; F169-L185 HydrophobicContact CZ-CD2 3.96Å; Y171-L185 WeakPolarHBondContact OH-CB 3.46Å; Y171-L185 WeakPolarHBondContact OH-CD2 3.21Å; L185-V205 HydrophobicContact CB-CB 4.49Å; L185-V205 HydrophobicContact CB-CG2 4.44Å; L185-V205 HydrophobicContact CD2-CG2 4.04Å; L185-V205 PolarHBondContact O-N 2.04Å |
| 186 | T | 86.5 | Confident | 83.4 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.5 | 171.4 | -47.7 | 0 | 0 | 0 | 0 | 109.1 | D118 R188 V203 F204 | D118-T186 PolarHBondContact N-O 3.33Å; D118-T186 PolarHBondContact O-N 2.96Å; T186-R188 HydrophobicContact CG2-CG 3.68Å; T186-V203 WeakPolarHBondContact CA-O 3.27Å; T186-F204 HydrophobicContact CG2-CD1 3.92Å; T186-F204 HydrophobicContact CG2-CE1 3.48Å; T186-F204 VanDerWaalsContact CG2-CE1 3.48Å; T186-F204 HydrophobicContact CG2-CZ 3.92Å; T186-F204 WeakPolarHBondContact OG1-CD1 3.25Å; T186-F204 VanDerWaalsContact OG1-CE1 3.31Å; T186-F204 WeakPolarHBondContact OG1-CE1 3.38Å |
| 187 | F | 86.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.7 | 174 | 175.2 | -69.7 | 0 | 0 | 0 | 106.8 | Y56 F90 F91 F117 I167 F169 S202 V203 Y218 | Y56-F187 HydrophobicContact CD1-CZ 4.44Å; Y56-F187 HydrophobicContact CD2-CE1 4.05Å; Y56-F187 AromaticContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CE1-CZ 4.32Å; Y56-F187 HydrophobicContact CE2-CE1 4.03Å; Y56-F187 AromaticContact CE2-CZ 3.67Å; Y56-F187 HydrophobicContact CE2-CZ 3.67Å; Y56-F187 HydrophobicContact CG-CZ 4.22Å; Y56-F187 AromaticContact CZ-CZ 3.95Å; F90-F187 HydrophobicContact CE2-CE1 4.02Å; F90-F187 HydrophobicContact CE2-CE2 4Å; F90-F187 AromaticContact CE2-CZ 3.52Å; F90-F187 HydrophobicContact CE2-CZ 3.52Å; F90-F187 HydrophobicContact CZ-CE1 4.07Å; F90-F187 HydrophobicContact CZ-CZ 4.04Å; F91-F187 HydrophobicContact CE2-CD1 4.19Å; F91-F187 AromaticContact CE2-CE1 3.39Å; F91-F187 HydrophobicContact CE2-CE1 3.39Å; F91-F187 HydrophobicContact CE2-CZ 4.13Å; F91-F187 HydrophobicContact CZ-CD1 4.16Å; F91-F187 AromaticContact CZ-CE1 3.44Å; F91-F187 HydrophobicContact CZ-CE1 3.44Å; F91-F187 VanDerWaalsContact CZ-CE1 3.44Å; F91-F187 HydrophobicContact CZ-CZ 4.42Å; F117-F187 HydrophobicContact CD1-CB 4.44Å; F117-F187 AromaticContact CD1-CD2 3.68Å; F117-F187 HydrophobicContact CD1-CD2 3.68Å; F117-F187 HydrophobicContact CD1-CE2 4.21Å; F117-F187 HydrophobicContact CD1-CG 4.16Å; F117-F187 AromaticContact CE1-CD2 3.28Å; F117-F187 HydrophobicContact CE1-CD2 3.28Å; F117-F187 AromaticContact CE1-CE2 3.34Å; F117-F187 HydrophobicContact CE1-CE2 3.34Å; F117-F187 HydrophobicContact CE1-CG 4.03Å; F117-F187 HydrophobicContact CE1-CZ 4.13Å; F117-F187 HydrophobicContact CZ-CD2 4.28Å; F117-F187 HydrophobicContact CZ-CE2 4.02Å; I167-F187 HydrophobicContact CD1-CE2 3.92Å; I167-F187 HydrophobicContact CD1-CZ 4.31Å; F169-F187 HydrophobicContact CE2-CD2 4.4Å; F187-S202 CarbonylContact O-C 3.56Å; F187-S202 WeakPolarHBondContact O-CA 3.37Å; F187-V203 HydrophobicContact CB-CB 4.05Å; F187-V203 HydrophobicContact CD1-CB 4.22Å; F187-V203 HydrophobicContact CD1-CG2 4.38Å; F187-V203 HydrophobicContact CG-CB 4.44Å; F187-V203 PolarHBondContact N-O 2.96Å; F187-V203 PolarHBondContact O-N 3.36Å; F187-Y218 HydrophobicContact CD2-CD2 4.19Å; F187-Y218 HydrophobicContact CD2-CE2 4.08Å; F187-Y218 HydrophobicContact CD2-CG 4.46Å; F187-Y218 HydrophobicContact CE2-CD1 4.43Å; F187-Y218 HydrophobicContact CE2-CD2 4.19Å; F187-Y218 HydrophobicContact CE2-CG 4.12Å |
| 188 | R | 90.1 | Very high | 82.6 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133 | -176.2 | -64.8 | -170.8 | -71.5 | 155.1 | -3.5 | 111.5 | F90 G115 A116 D118 T186 I201 | F90-R188 WeakPolarHBondContact CE1-O 3.4Å; F90-R188 WeakPolarHBondContact CZ-O 3.47Å; G115-R188 CarbonylContact C-O 3.57Å; G115-R188 VanDerWaalsContact CA-O 3.29Å; G115-R188 WeakPolarHBondContact CA-O 3.44Å; A116-R188 PolarHBondContact N-O 3.29Å; A116-R188 PolarHBondContact O-N 2.95Å; D118-R188 IonicContact OD1-CZ 2.81Å; D118-R188 IonicContact OD1-NH2 2.87Å; D118-R188 PolarHBondContact OD1-NH2 2.82Å; D118-R188 IonicContact OD2-CZ 3.83Å; D118-R188 IonicContact OD2-NE 3.68Å; D118-R188 PolarHBondContact OD2-NE 3.11Å; D118-R188 IonicContact OD2-NH2 3.23Å; D118-R188 PolarHBondContact OD2-NH2 3.27Å; T186-R188 HydrophobicContact CG2-CG 3.68Å; R188-I201 CarbonylContact C-O 3.53Å; R188-I201 VanDerWaalsContact CA-O 3.26Å; R188-I201 WeakPolarHBondContact CA-O 3.42Å |
| 189 | G | 89.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R200 I201 | G189-R200 WeakPolarHBondContact O-CA 3.43Å; G189-I201 PolarHBondContact N-O 3.17Å; G189-I201 PolarHBondContact O-N 3.43Å |
| 190 | E | 87.1 | Confident | 82.2 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.6 | 173 | -71.2 | -76.1 | 179.8 | 0 | 0 | 108.4 | L114 N198 R200 | L114-E190 PolarHBondContact O-N 2.86Å; E190-N198 WeakPolarHBondContact OE2-CB 3.18Å; E190-R200 WeakPolarHBondContact OE1-CD 3.42Å; E190-R200 VanDerWaalsContact OE1-CG 3.26Å; E190-R200 WeakPolarHBondContact OE1-CG 3.34Å; E190-R200 IonicContact OE1-CZ 3.6Å; E190-R200 IonicContact OE1-NE 2.68Å; E190-R200 PolarHBondContact OE1-NE 2.04Å; E190-R200 IonicContact OE1-NH2 3.56Å; E190-R200 WeakPolarHBondContact OE2-CG 3.38Å; E190-R200 IonicContact OE2-NE 3.62Å |
| 191 | I | 81.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.9 | -176.3 | -60.5 | 170.8 | 0 | 0 | 0 | 108.9 | I33 Y55 F91 C193 N198 R199 I201 | I33-I191 HydrophobicContact CD1-CB 3.99Å; I33-I191 HydrophobicContact CD1-CD1 3.31Å; I33-I191 HydrophobicContact CD1-CG1 4.22Å; I33-I191 HydrophobicContact CD1-CG2 3.74Å; I33-I191 HydrophobicContact CG1-CD1 4.09Å; Y55-I191 HydrophobicContact CD2-CD1 4.47Å; Y55-I191 HydrophobicContact CE2-CD1 4.12Å; F91-I191 HydrophobicContact CB-CD1 4.47Å; F91-I191 HydrophobicContact CB-CG1 4.27Å; F91-I191 HydrophobicContact CD1-CD1 3.72Å; F91-I191 HydrophobicContact CD1-CG1 4.26Å; F91-I191 HydrophobicContact CE1-CD1 4.25Å; F91-I191 HydrophobicContact CG-CD1 4.33Å; F91-I191 HydrophobicContact CG-CG1 4.39Å; I191-C193 PolarHBondContact O-N 3.05Å; I191-N198 CarbonylContact O-C 3.49Å; I191-N198 VanDerWaalsContact O-CA 3.26Å; I191-N198 WeakPolarHBondContact O-CA 3.42Å; I191-R199 PolarHBondContact N-O 3.46Å; I191-R199 PolarHBondContact O-N 3.12Å; I191-I201 HydrophobicContact CD1-CD1 3.45Å; I191-I201 VanDerWaalsContact CD1-CD1 3.45Å; I191-I201 HydrophobicContact CD1-CG1 4.19Å |
| 192 | P | 76.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.7 | 178.4 | 27 | -32.7 | 0 | 0 | 0 | 110.7 | C26 | C26-P192 PolarHBondContact SG-O 2.85Å |
| 193 | C | 79.2 | Confident | 82.6 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 50.5 | -179.3 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | C26 C30 I191 N195 Q196 R199 | C26-C193 VanDerWaalsContact SG-CA 3.58Å; C30-C193 HydrophobicContact CB-CB 3.98Å; C30-C193 WeakPolarHBondContact CB-SG 3.12Å; C30-C193 WeakPolarHBondContact SG-CA 3.46Å; C30-C193 WeakPolarHBondContact SG-CB 3.05Å; C30-C193 CovalentContact SG-SG 2.02Å; C30-C193 PolarHBondContact SG-SG 2.87Å; I191-C193 PolarHBondContact O-N 3.05Å; C193-N195 PolarHBondContact O-N 2.68Å; C193-N195 VanDerWaalsContact O-N 3.11Å; C193-Q196 HydrophobicContact CB-CB 4Å; C193-Q196 WeakPolarHBondContact O-CB 3.3Å; C193-Q196 PolarHBondContact O-N 2.79Å; C193-R199 WeakPolarHBondContact SG-CG 3.45Å |
| 194 | G | 73.9 | Confident | 82.8 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -115.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C26 | C26-G194 PolarHBondContact SG-N 3.2Š|
| 195 | N | 72.7 | Confident | 83 | Confident | 158 Ų | 158 | 56.3 Ų | 56.3 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.9 | 178.5 | -66.8 | -18.7 | 0 | 0 | 0 | 113.7 | C193 | C193-N195 PolarHBondContact O-N 2.68Å; C193-N195 VanDerWaalsContact O-N 3.11Å |
| 196 | Q | 73.2 | Confident | 83 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 166.4 | 174.6 | -58.9 | -174.6 | 6.2 | 0 | 0 | 110.7 | C193 | C193-Q196 HydrophobicContact CB-CB 4Å; C193-Q196 WeakPolarHBondContact O-CB 3.3Å; C193-Q196 PolarHBondContact O-N 2.79Å |
| 197 | N | 78.5 | Confident | 83 | Confident | 148 Ų | 148 | 57.8 Ų | 57.8 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 145.1 | 168.6 | -69 | -21.9 | 0 | 0 | 0 | 110 | R199 | N197-R199 PolarHBondContact O-N 2.99Å |
| 198 | N | 80.8 | Confident | 83.2 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 35% | 0.348 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 139.4 | 172.4 | -68.3 | 0.1 | 0 | 0 | 0 | 110.3 | E190 I191 | E190-N198 WeakPolarHBondContact OE2-CB 3.18Å; I191-N198 CarbonylContact O-C 3.49Å; I191-N198 VanDerWaalsContact O-CA 3.26Å; I191-N198 WeakPolarHBondContact O-CA 3.42Å |
| 199 | R | 82.4 | Confident | 83.3 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124 | 172 | -69.6 | -72.1 | 176.8 | 163.7 | 6.4 | 108.8 | C30 I33 D34 I191 C193 N197 | C30-R199 HydrophobicContact CB-CG 4.45Å; I33-R199 HydrophobicContact CG2-CB 4.29Å; D34-R199 VanDerWaalsContact CG-CZ 3.44Å; D34-R199 IonicContact OD1-CZ 3.21Å; D34-R199 IonicContact OD1-NE 3.15Å; D34-R199 IonicContact OD1-NH1 2.71Å; D34-R199 PolarHBondContact OD1-NH1 2.84Å; D34-R199 IonicContact OD1-NH2 3.9Å; D34-R199 IonicContact OD2-CZ 2.88Å; D34-R199 IonicContact OD2-NE 2.72Å; D34-R199 IonicContact OD2-NH1 2.89Å; D34-R199 PolarHBondContact OD2-NH1 2.85Å; D34-R199 IonicContact OD2-NH2 2.74Å; D34-R199 PolarHBondContact OD2-NH2 2.88Å; I191-R199 PolarHBondContact N-O 3.46Å; I191-R199 PolarHBondContact O-N 3.12Å; C193-R199 WeakPolarHBondContact SG-CG 3.45Å; N197-R199 PolarHBondContact O-N 2.99Å |
| 200 | R | 83.6 | Confident | 83.4 | Confident | 191 Ų | 191 | 59 Ų | 59 | 72% | 0.721 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.4 | 175.3 | -73.2 | 179.5 | -179.3 | 157.9 | 5 | 109.9 | G189 E190 | G189-R200 WeakPolarHBondContact O-CA 3.43Å; E190-R200 WeakPolarHBondContact OE1-CD 3.42Å; E190-R200 VanDerWaalsContact OE1-CG 3.26Å; E190-R200 WeakPolarHBondContact OE1-CG 3.34Å; E190-R200 IonicContact OE1-CZ 3.6Å; E190-R200 IonicContact OE1-NE 2.68Å; E190-R200 PolarHBondContact OE1-NE 2.04Å; E190-R200 IonicContact OE1-NH2 3.56Å; E190-R200 WeakPolarHBondContact OE2-CG 3.38Å; E190-R200 IonicContact OE2-NE 3.62Å |
| 201 | I | 84.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.6 | 166.9 | -61.2 | -179.1 | 0 | 0 | 0 | 107.3 | I33 Y54 F91 R188 G189 I191 V203 | I33-I201 HydrophobicContact CD1-CD1 4.46Å; I33-I201 HydrophobicContact CG1-CD1 4.08Å; I33-I201 HydrophobicContact CG2-CD1 3.67Å; I33-I201 HydrophobicContact CG2-CG1 3.71Å; Y54-I201 HydrophobicContact CD1-CD1 4.18Å; F91-I201 HydrophobicContact CD1-CD1 4.4Å; F91-I201 HydrophobicContact CE1-CB 4.29Å; F91-I201 HydrophobicContact CE1-CD1 3.78Å; F91-I201 HydrophobicContact CE1-CG2 4.32Å; F91-I201 HydrophobicContact CZ-CB 4.21Å; F91-I201 HydrophobicContact CZ-CG2 4.2Å; R188-I201 CarbonylContact C-O 3.53Å; R188-I201 VanDerWaalsContact CA-O 3.26Å; R188-I201 WeakPolarHBondContact CA-O 3.42Å; G189-I201 PolarHBondContact N-O 3.17Å; G189-I201 PolarHBondContact O-N 3.43Å; I191-I201 HydrophobicContact CD1-CD1 3.45Å; I191-I201 VanDerWaalsContact CD1-CD1 3.45Å; I191-I201 HydrophobicContact CD1-CG1 4.19Å; I201-V203 HydrophobicContact CG2-CG2 4.23Å |
| 202 | S | 86.3 | Confident | 84.3 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121.2 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | F187 | F187-S202 CarbonylContact O-C 3.56Å; F187-S202 WeakPolarHBondContact O-CA 3.37Å |
| 203 | V | 87.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.5 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 108.1 | Y53 T186 F187 I201 Y218 | Y53-V203 HydrophobicContact CD1-CG2 3.67Å; Y53-V203 HydrophobicContact CD2-CG1 4.02Å; Y53-V203 HydrophobicContact CD2-CG2 4.3Å; Y53-V203 HydrophobicContact CE1-CB 4.41Å; Y53-V203 HydrophobicContact CE1-CG1 4.04Å; Y53-V203 HydrophobicContact CE1-CG2 3.75Å; Y53-V203 HydrophobicContact CE2-CG1 3.48Å; Y53-V203 VanDerWaalsContact CE2-CG1 3.48Å; Y53-V203 HydrophobicContact CE2-CG2 4.37Å; Y53-V203 HydrophobicContact CG-CG1 4.46Å; Y53-V203 HydrophobicContact CG-CG2 3.91Å; Y53-V203 VanDerWaalsContact CZ-CG1 3.45Å; T186-V203 WeakPolarHBondContact CA-O 3.27Å; F187-V203 HydrophobicContact CB-CB 4.05Å; F187-V203 HydrophobicContact CD1-CB 4.22Å; F187-V203 HydrophobicContact CD1-CG2 4.38Å; F187-V203 HydrophobicContact CG-CB 4.44Å; F187-V203 PolarHBondContact N-O 2.96Å; F187-V203 PolarHBondContact O-N 3.36Å; I201-V203 HydrophobicContact CG2-CG2 4.23Å; V203-Y218 HydrophobicContact CG1-CE1 4.07Å |
| 204 | F | 88.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 63.3 Ų | 63.3 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | -177.2 | -59.4 | -88.1 | 0 | 0 | 0 | 110.4 | R39 T186 P206 | R39-F204 PolarHBondContact NH1-O 2.92Å; R39-F204 PolarHBondContact NH2-O 3.01Å; T186-F204 HydrophobicContact CG2-CD1 3.92Å; T186-F204 HydrophobicContact CG2-CE1 3.48Å; T186-F204 VanDerWaalsContact CG2-CE1 3.48Å; T186-F204 HydrophobicContact CG2-CZ 3.92Å; T186-F204 WeakPolarHBondContact OG1-CD1 3.25Å; T186-F204 VanDerWaalsContact OG1-CE1 3.31Å; T186-F204 WeakPolarHBondContact OG1-CE1 3.38Å; F204-P206 WeakPolarHBondContact O-CD 3.35Å |
| 205 | V | 89.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.8 | 168.5 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | I60 L185 G207 W209 I210 V216 | I60-V205 HydrophobicContact CD1-CG1 3.84Å; L185-V205 HydrophobicContact CB-CB 4.49Å; L185-V205 HydrophobicContact CB-CG2 4.44Å; L185-V205 HydrophobicContact CD2-CG2 4.04Å; L185-V205 PolarHBondContact O-N 2.04Å; V205-G207 PolarHBondContact O-N 3.27Å; V205-W209 HydrophobicContact CG1-CB 4.33Å; V205-I210 HydrophobicContact CB-CD1 4.3Å; V205-I210 HydrophobicContact CG1-CD1 4.11Å; V205-I210 HydrophobicContact CG1-CG1 3.78Å; V205-V216 HydrophobicContact CG1-CG2 4.11Å; V205-V216 HydrophobicContact CG2-CG1 4.07Å; V205-V216 HydrophobicContact CG2-CG2 4.21Å |
| 206 | P | 85.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | trans | -63.6 | 138.5 | -179.3 | -19.8 | 32.1 | 0 | 0 | 0 | 111.2 | F204 R208 W209 | F204-P206 WeakPolarHBondContact O-CD 3.35Å; P206-R208 HydrophobicContact CB-CG 4.36Å; P206-R208 PolarHBondContact O-N 3.41Å; P206-W209 WeakPolarHBondContact O-CB 3.37Å; P206-W209 PolarHBondContact O-N 3.26Å | ||
| 207 | G | 88.1 | Confident | 89.2 | Confident | 11 Ų | 11 | 51 Ų | 51 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -56.6 | -28.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R183 V205 W209 I210 | R183-G207 PolarHBondContact NH2-O 3.24Å; V205-G207 PolarHBondContact O-N 3.27Å; G207-W209 PolarHBondContact O-N 2.95Å; G207-I210 PolarHBondContact O-N 3.45Å |
| 208 | R | 89.6 | Confident | 89.9 | Confident | 120 Ų | 120 | 44 Ų | 44 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -58.8 | -28.6 | 176.9 | 66 | 173 | 174.5 | 117.6 | -0.8 | 113.4 | E44 E180 P206 | E44-R208 IonicContact OE1-CZ 3.48Å; E44-R208 VanDerWaalsContact OE1-CZ 3.23Å; E44-R208 IonicContact OE1-NH1 3.11Å; E44-R208 PolarHBondContact OE1-NH1 3.39Å; E44-R208 IonicContact OE1-NH2 3.45Å; E44-R208 PolarHBondContact OE1-NH2 3.13Å; E44-R208 IonicContact OE2-NH2 3.18Å; E180-R208 VanDerWaalsContact CD-CA 3.42Å; E180-R208 VanDerWaalsContact CG-N 3.26Å; E180-R208 WeakPolarHBondContact OE1-CA 3.26Å; E180-R208 VanDerWaalsContact OE1-CB 3.3Å; E180-R208 WeakPolarHBondContact OE1-CB 2.98Å; E180-R208 PolarHBondContact OE1-N 2.93Å; P206-R208 HydrophobicContact CB-CG 4.36Å; P206-R208 PolarHBondContact O-N 3.41Å |
| 209 | W | 91.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -84 | -19.7 | 178.6 | -72.3 | 103.2 | 0 | 0 | 0 | 112.3 | E44 G45 Y48 R49 I60 L62 V205 P206 G207 R211 T214 | E44-W209 HydrophobicContact CG-CH2 4.4Å; E44-W209 HydrophobicContact CG-CZ2 3.98Å; G45-W209 VanDerWaalsContact O-CH2 3.27Å; G45-W209 WeakPolarHBondContact O-CH2 3.12Å; Y48-W209 WeakPolarHBondContact O-CH2 3.35Å; R49-W209 HydrophobicContact CB-CH2 3.77Å; R49-W209 HydrophobicContact CB-CZ2 3.73Å; R49-W209 HydrophobicContact CB-CZ3 4.21Å; R49-W209 HydrophobicContact CG-CZ2 4.38Å; I60-W209 HydrophobicContact CB-CE3 4.21Å; I60-W209 HydrophobicContact CD1-CB 4Å; I60-W209 HydrophobicContact CD1-CD2 4.4Å; I60-W209 HydrophobicContact CD1-CG 3.98Å; I60-W209 HydrophobicContact CG2-CB 3.99Å; I60-W209 HydrophobicContact CG2-CD2 4.04Å; I60-W209 HydrophobicContact CG2-CE3 3.55Å; I60-W209 HydrophobicContact CG2-CG 4.22Å; I60-W209 HydrophobicContact CG2-CZ3 4.38Å; L62-W209 HydrophobicContact CD1-CE3 3.55Å; L62-W209 HydrophobicContact CD1-CZ3 3.53Å; L62-W209 HydrophobicContact CD2-CE3 4.07Å; L62-W209 VanDerWaalsContact CD2-O 3.3Å; L62-W209 WeakPolarHBondContact CD2-O 3.42Å; L62-W209 HydrophobicContact CG-CE3 3.97Å; L62-W209 HydrophobicContact CG-CZ3 4.05Å; V205-W209 HydrophobicContact CG1-CB 4.33Å; P206-W209 WeakPolarHBondContact O-CB 3.37Å; P206-W209 PolarHBondContact O-N 3.26Å; G207-W209 PolarHBondContact O-N 2.95Å; W209-R211 PolarHBondContact O-N 3.24Å; W209-T214 WeakPolarHBondContact O-CG2 3.26Å; W209-T214 PolarHBondContact O-OG1 3.44Å |
| 210 | I | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -86.4 | 96 | -176.9 | -57.1 | 177.9 | 0 | 0 | 0 | 109.3 | F155 Y171 I174 R183 V205 G207 | F155-I210 HydrophobicContact CE2-CG2 3.87Å; F155-I210 HydrophobicContact CZ-CG2 4.32Å; Y171-I210 HydrophobicContact CD1-CG2 3.53Å; Y171-I210 HydrophobicContact CD2-CG2 4.32Å; Y171-I210 HydrophobicContact CE1-CD1 4.31Å; Y171-I210 HydrophobicContact CE1-CG1 4.49Å; Y171-I210 HydrophobicContact CE1-CG2 3.74Å; Y171-I210 HydrophobicContact CE2-CG1 4.49Å; Y171-I210 HydrophobicContact CG-CG2 3.82Å; I174-I210 HydrophobicContact CD1-CG2 3.92Å; R183-I210 HydrophobicContact CB-CB 4.44Å; R183-I210 HydrophobicContact CB-CD1 4.26Å; R183-I210 HydrophobicContact CB-CG2 4.18Å; R183-I210 PolarHBondContact NE-O 3.18Å; R183-I210 PolarHBondContact NH1-O 3.33Å; R183-I210 VanDerWaalsContact NH1-O 3.08Å; R183-I210 PolarHBondContact NH2-O 2.9Å; V205-I210 HydrophobicContact CB-CD1 4.3Å; V205-I210 HydrophobicContact CG1-CD1 4.11Å; V205-I210 HydrophobicContact CG1-CG1 3.78Å; G207-I210 PolarHBondContact O-N 3.45Å | ||
| 211 | R | 92.9 | Very high | 90.7 | Very high | 94 Ų | 94 | 32 Ų | 32 | 36% | 0.355 | 16% | 0.156 | S | C | . | . | trans | -134.6 | 172.6 | 173.2 | 60.1 | -175.4 | -176.6 | -160.2 | 4.6 | 111.6 | L62 W209 G213 T214 | L62-R211 HydrophobicContact CD2-CG 4.07Å; W209-R211 PolarHBondContact O-N 3.24Å; R211-G213 PolarHBondContact O-N 3.43Å; R211-T214 WeakPolarHBondContact CG-OG1 3.38Å; R211-T214 PolarHBondContact N-OG1 3.25Å; R211-T214 WeakPolarHBondContact O-CB 3.5Å; R211-T214 PolarHBondContact O-N 3.08Å; R211-T214 PolarHBondContact O-OG1 2.89Å | ||
| 212 | N | 94.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 31.6 Ų | 31.6 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 133.1 | 173.8 | -76.4 | -27.4 | 0 | 0 | 0 | 111 | E172 G173 I174 T214 | E172-N212 WeakPolarHBondContact CA-OD1 3.38Å; G173-N212 PolarHBondContact N-OD1 3.09Å; I174-N212 WeakPolarHBondContact CB-OD1 3.37Å; I174-N212 WeakPolarHBondContact CG1-OD1 3.35Å; I174-N212 PolarHBondContact N-OD1 3.27Å; I174-N212 PolarHBondContact O-ND2 2.74Å; N212-T214 VanDerWaalsContact C-N 3.31Å |
| 213 | G | 95.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 22 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L62 N63 Q64 Y171 R211 | L62-G213 CarbonylContact C-O 3.16Å; N63-G213 PolarHBondContact N-O 2.84Å; Q64-G213 PolarHBondContact N-O 3.44Å; Q64-G213 WeakPolarHBondContact O-CA 3.26Å; Y171-G213 PolarHBondContact O-N 2.86Å; R211-G213 PolarHBondContact O-N 3.43Å |
| 214 | T | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.3 | 171.3 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | I60 L61 L62 Y170 Y171 W209 R211 N212 V216 | I60-T214 HydrophobicContact CG2-CG2 4.07Å; L61-T214 WeakPolarHBondContact O-CA 3.03Å; L62-T214 HydrophobicContact CD2-CG2 3.86Å; L62-T214 WeakPolarHBondContact CD2-OG1 3.43Å; Y170-T214 WeakPolarHBondContact CA-O 3.23Å; Y171-T214 HydrophobicContact CD2-CG2 3.94Å; Y171-T214 HydrophobicContact CE2-CG2 4.37Å; Y171-T214 PolarHBondContact N-O 3.21Å; W209-T214 WeakPolarHBondContact O-CG2 3.26Å; W209-T214 PolarHBondContact O-OG1 3.44Å; R211-T214 WeakPolarHBondContact CG-OG1 3.38Å; R211-T214 PolarHBondContact N-OG1 3.25Å; R211-T214 WeakPolarHBondContact O-CB 3.5Å; R211-T214 PolarHBondContact O-N 3.08Å; R211-T214 PolarHBondContact O-OG1 2.89Å; N212-T214 VanDerWaalsContact C-N 3.31Å; T214-V216 HydrophobicContact CG2-CG2 4.12Å |
| 215 | L | 96.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.7 | 170.4 | -175.7 | 62.9 | 0 | 0 | 0 | 108.7 | I60 L61 Q64 P67 L168 F169 Y170 E217 | I60-L215 WeakPolarHBondContact CA-O 3.45Å; L61-L215 HydrophobicContact CB-CB 4.42Å; L61-L215 PolarHBondContact N-O 3.32Å; L61-L215 PolarHBondContact O-N 2.83Å; Q64-L215 HydrophobicContact CB-CB 3.94Å; Q64-L215 HydrophobicContact CB-CD2 4.45Å; Q64-L215 HydrophobicContact CG-CB 3.8Å; Q64-L215 HydrophobicContact CG-CD2 4.35Å; P67-L215 HydrophobicContact CG-CD1 4.08Å; L168-L215 HydrophobicContact CB-CD1 4.15Å; L168-L215 HydrophobicContact CD2-CD1 4.22Å; F169-L215 WeakPolarHBondContact O-CA 3.36Å; Y170-L215 HydrophobicContact CD2-CB 4.45Å; Y170-L215 HydrophobicContact CD2-CD1 4.27Å; L215-E217 HydrophobicContact CD2-CG 4.12Å; L215-E217 VanDerWaalsContact CD2-OE1 3.23Å; L215-E217 WeakPolarHBondContact CD2-OE1 3.47Å; L215-E217 HydrophobicContact CG-CG 3.93Å |
| 216 | V | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.6 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | E58 A59 I60 L168 F169 Y171 V205 T214 Y218 | E58-V216 HydrophobicContact CG-CG1 4.16Å; A59-V216 CarbonylContact O-C 3.57Å; A59-V216 WeakPolarHBondContact O-CA 3.27Å; I60-V216 HydrophobicContact CD1-CG2 4.37Å; I60-V216 HydrophobicContact CG1-CG1 4.26Å; I60-V216 HydrophobicContact CG1-CG2 4.13Å; I60-V216 HydrophobicContact CG2-CG2 4.33Å; L168-V216 CarbonylContact C-O 3.48Å; L168-V216 VanDerWaalsContact CA-O 3.29Å; L168-V216 WeakPolarHBondContact CA-O 3.16Å; F169-V216 HydrophobicContact CB-CB 4.25Å; F169-V216 HydrophobicContact CD2-CB 4.49Å; F169-V216 PolarHBondContact N-O 2.94Å; F169-V216 PolarHBondContact O-N 2.92Å; Y171-V216 HydrophobicContact CE2-CG2 3.93Å; V205-V216 HydrophobicContact CG1-CG2 4.11Å; V205-V216 HydrophobicContact CG2-CG1 4.07Å; V205-V216 HydrophobicContact CG2-CG2 4.21Å; T214-V216 HydrophobicContact CG2-CG2 4.12Å; V216-Y218 HydrophobicContact CG1-CD2 4.14Å; V216-Y218 HydrophobicContact CG1-CE2 3.51Å |
| 217 | E | 94.6 | Very high | 89.1 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.2 | 178.9 | -52.1 | -172.2 | 164.1 | 0 | 0 | 109.7 | E58 A59 I167 L168 L215 | E58-E217 CarbonylContact C-O 3.56Å; E58-E217 WeakPolarHBondContact CA-O 3.47Å; A59-E217 HydrophobicContact CB-CB 4.35Å; A59-E217 PolarHBondContact N-O 2.76Å; A59-E217 PolarHBondContact O-N 2.77Å; I167-E217 CarbonylContact O-C 3.57Å; I167-E217 WeakPolarHBondContact O-CA 2.98Å; L168-E217 HydrophobicContact CG-CG 4.24Å; L215-E217 HydrophobicContact CD2-CG 4.12Å; L215-E217 VanDerWaalsContact CD2-OE1 3.23Å; L215-E217 WeakPolarHBondContact CD2-OE1 3.47Å; L215-E217 HydrophobicContact CG-CG 3.93Å |
| 218 | Y | 93.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.1 | 166.8 | -63 | -88.5 | 0 | 0 | 0 | 109.9 | S57 E58 K166 I167 F169 F187 V203 V216 | S57-Y218 VanDerWaalsContact O-CA 3.27Å; S57-Y218 WeakPolarHBondContact O-CA 3.27Å; E58-Y218 HydrophobicContact CB-CD1 4.01Å; E58-Y218 HydrophobicContact CB-CE1 3.73Å; E58-Y218 HydrophobicContact CG-CD1 4.31Å; E58-Y218 HydrophobicContact CG-CE1 3.71Å; E58-Y218 PolarHBondContact OE1-OH 2.96Å; K166-Y218 WeakPolarHBondContact CA-O 3.34Å; I167-Y218 PolarHBondContact N-O 2.68Å; I167-Y218 PolarHBondContact O-N 2.63Å; F169-Y218 AromaticContact CD2-CD2 3.98Å; F169-Y218 HydrophobicContact CD2-CD2 3.98Å; F169-Y218 AromaticContact CD2-CE2 3.81Å; F169-Y218 HydrophobicContact CD2-CE2 3.81Å; F169-Y218 AromaticContact CE2-CD2 3.67Å; F169-Y218 HydrophobicContact CE2-CD2 3.67Å; F169-Y218 AromaticContact CE2-CE2 3.59Å; F169-Y218 HydrophobicContact CE2-CE2 3.59Å; F187-Y218 HydrophobicContact CD2-CD2 4.19Å; F187-Y218 HydrophobicContact CD2-CE2 4.08Å; F187-Y218 HydrophobicContact CD2-CG 4.46Å; F187-Y218 HydrophobicContact CE2-CD1 4.43Å; F187-Y218 HydrophobicContact CE2-CD2 4.19Å; F187-Y218 HydrophobicContact CE2-CG 4.12Å; V203-Y218 HydrophobicContact CG1-CE1 4.07Å; V216-Y218 HydrophobicContact CG1-CD2 4.14Å; V216-Y218 HydrophobicContact CG1-CE2 3.51Å |
| 219 | E | 90.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.2 | 176 | -175.2 | -173.6 | 171.6 | 0 | 0 | 109 | Y56 S57 L221 K264 | Y56-E219 CarbonylContact C-O 3.55Å; Y56-E219 VanDerWaalsContact CA-O 3.23Å; Y56-E219 WeakPolarHBondContact CA-O 3.37Å; S57-E219 PolarHBondContact N-O 3.42Å; S57-E219 PolarHBondContact O-N 3.25Å; E219-L221 PolarHBondContact O-N 3Å; E219-K264 IonicContact OE1-NZ 2.66Å; E219-K264 PolarHBondContact OE1-NZ 3.21Å; E219-K264 IonicContact OE2-NZ 3.54Å; E219-K264 PolarHBondContact OE2-NZ 2.88Å |
| 220 | F | 87.6 | Confident | 88.3 | Confident | 51 Ų | 51 | 34.6 Ų | 34.6 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.1 | 176.9 | -177.7 | -115.9 | 0 | 0 | 0 | 110.3 | Y55 Y56 G222 | Y55-F220 AromaticContact CD1-CE2 3.6Å; Y55-F220 HydrophobicContact CD1-CE2 3.6Å; Y55-F220 HydrophobicContact CD1-CZ 4.18Å; Y55-F220 HydrophobicContact CE1-CE2 4.39Å; Y55-F220 HydrophobicContact CG-CE2 4.12Å; Y56-F220 HydrophobicContact CD1-CB 4.35Å; Y56-F220 HydrophobicContact CE1-CB 3.95Å; Y56-F220 HydrophobicContact CE1-CD2 4.12Å; F220-G222 VanDerWaalsContact C-N 3.27Å; F220-G222 VanDerWaalsContact CE1-CA 3.41Å; F220-G222 PolarHBondContact O-N 3.11Å |
| 221 | L | 84.4 | Confident | 88 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -85.4 | 5.8 | -176.9 | -64 | 175.9 | 0 | 0 | 0 | 113.5 | Y55 E219 P225 M251 T254 | Y55-L221 PolarHBondContact O-N 3.48Å; E219-L221 PolarHBondContact O-N 3Å; L221-P225 HydrophobicContact CB-CG 3.46Å; L221-P225 VanDerWaalsContact CB-CG 3.46Å; L221-P225 HydrophobicContact CD1-CG 3.85Å; L221-P225 HydrophobicContact CG-CG 4.31Å; L221-P225 VanDerWaalsContact O-CD 3.24Å; L221-P225 WeakPolarHBondContact O-CD 3.36Å; L221-M251 HydrophobicContact CD1-CE 4.21Å; L221-T254 WeakPolarHBondContact CD2-OG1 3.43Å; L221-T254 WeakPolarHBondContact O-CG2 3.47Å | ||
| 222 | G | 82.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -140.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | F220 | F220-G222 VanDerWaalsContact C-N 3.27Å; F220-G222 VanDerWaalsContact CE1-CA 3.41Å; F220-G222 PolarHBondContact O-N 3.11Å |
| 223 | D | 79.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 36.1 Ų | 36.1 | 43% | 0.428 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -8.5 | -178.7 | -72.4 | -35.4 | 0 | 0 | 0 | 113.6 | K226 | D223-K226 HydrophobicContact CB-CD 4.22Å; D223-K226 VanDerWaalsContact O-CB 3.27Å; D223-K226 WeakPolarHBondContact O-CB 3.43Å; D223-K226 PolarHBondContact O-N 2.8Å; D223-K226 VanDerWaalsContact O-N 3.12Å; D223-K226 WeakPolarHBondContact OD1-CE 3.5Å; D223-K226 IonicContact OD1-NZ 3.65Å; D223-K226 PolarHBondContact OD1-NZ 3.03Å |
| 224 | C | 84.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -54.7 | -46.5 | -178.8 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | K226 R227 C243 C252 T254 | C224-K226 PolarHBondContact O-N 3.22Å; C224-R227 WeakPolarHBondContact O-CB 3.21Å; C224-R227 WeakPolarHBondContact O-CG 3.45Å; C224-R227 PolarHBondContact O-N 2.85Å; C224-C243 HydrophobicContact CB-CB 3.9Å; C224-C243 WeakPolarHBondContact CB-SG 3.31Å; C224-C243 WeakPolarHBondContact SG-CA 3.15Å; C224-C243 WeakPolarHBondContact SG-CB 3.47Å; C224-C243 CovalentContact SG-SG 2.04Å; C224-C243 PolarHBondContact SG-SG 3.02Å; C224-C252 CarbonylContact C-O 3.5Å; C224-C252 WeakPolarHBondContact O-CB 3.47Å; C224-C252 PolarHBondContact O-SG 2.98Å; C224-T254 HydrophobicContact CB-CG2 4.15Å; C224-T254 WeakPolarHBondContact SG-CG2 3.29Å |
| 225 | P | 81.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -63.1 | -11.9 | -179.1 | -24.3 | 34.8 | 0 | 0 | 0 | 116 | K36 Y54 L221 R227 M251 C252 | K36-P225 PolarHBondContact NZ-O 3.24Å; Y54-P225 WeakPolarHBondContact O-CB 3.34Å; Y54-P225 WeakPolarHBondContact O-CG 3.49Å; L221-P225 HydrophobicContact CB-CG 3.46Å; L221-P225 VanDerWaalsContact CB-CG 3.46Å; L221-P225 HydrophobicContact CD1-CG 3.85Å; L221-P225 HydrophobicContact CG-CG 4.31Å; L221-P225 VanDerWaalsContact O-CD 3.24Å; L221-P225 WeakPolarHBondContact O-CD 3.36Å; P225-R227 VanDerWaalsContact C-N 3.26Å; P225-M251 HydrophobicContact CB-CE 3.93Å; P225-M251 HydrophobicContact CG-CE 4.17Å; P225-C252 VanDerWaalsContact CA-O 3.28Å; P225-C252 WeakPolarHBondContact CA-O 3.39Å |
| 226 | K | 77.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -72.3 | -21.2 | 173.3 | -60.3 | 177.4 | 173.5 | 174.1 | 0 | 112.1 | D223 C224 | D223-K226 HydrophobicContact CB-CD 4.22Å; D223-K226 VanDerWaalsContact O-CB 3.27Å; D223-K226 WeakPolarHBondContact O-CB 3.43Å; D223-K226 PolarHBondContact O-N 2.8Å; D223-K226 VanDerWaalsContact O-N 3.12Å; D223-K226 WeakPolarHBondContact OD1-CE 3.5Å; D223-K226 IonicContact OD1-NZ 3.65Å; D223-K226 PolarHBondContact OD1-NZ 3.03Å; C224-K226 PolarHBondContact O-N 3.22Å |
| 227 | R | 82.6 | Confident | 83.3 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | trans | -79 | 126.8 | 175.7 | -51.3 | -55.2 | 174.7 | -176.6 | -1.1 | 109.7 | C224 P225 E232 C233 A236 C252 | C224-R227 WeakPolarHBondContact O-CB 3.21Å; C224-R227 WeakPolarHBondContact O-CG 3.45Å; C224-R227 PolarHBondContact O-N 2.85Å; P225-R227 VanDerWaalsContact C-N 3.26Å; R227-E232 HydrophobicContact CB-CB 3.96Å; R227-E232 HydrophobicContact CG-CB 4.43Å; R227-C233 HydrophobicContact CB-CB 4.36Å; R227-A236 HydrophobicContact CG-CB 4.41Å; R227-C252 HydrophobicContact CB-CB 4.04Å | ||
| 228 | N | 81.2 | Confident | 81.6 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | trans | -105.9 | -5.9 | -171 | -68.1 | -31.8 | 0 | 0 | 0 | 113.5 | K36 E232 | K36-N228 WeakPolarHBondContact CE-OD1 3.47Å; K36-N228 PolarHBondContact NZ-OD1 3.04Å; N228-E232 PolarHBondContact N-OE2 3.47Å | ||
| 229 | S | 83.6 | Confident | 79.7 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -125.2 | 163.1 | 175.4 | 95.4 | 0 | 0 | 0 | 0 | 112.4 | E231 E232 C233 | S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 VanDerWaalsContact CB-OE2 3.26Å; S229-E231 WeakPolarHBondContact CB-OE2 3.26Å; S229-E231 PolarHBondContact OG-N 3.36Å; S229-E231 PolarHBondContact OG-OE2 3.4Å; S229-E232 PolarHBondContact OG-N 2.77Å; S229-E232 VanDerWaalsContact OG-N 3.14Å; S229-C233 VanDerWaalsContact O-CB 3.3Å; S229-C233 WeakPolarHBondContact O-CB 3.27Å; S229-C233 PolarHBondContact O-N 3.13Å |
| 230 | I | 86.3 | Confident | 78.2 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.5 | -62.3 | 175.5 | 0 | 0 | 0 | 109.7 | C233 Q234 W245 | I230-C233 WeakPolarHBondContact O-CB 3.3Å; I230-C233 PolarHBondContact O-N 2.9Å; I230-Q234 HydrophobicContact CG2-CG 4.35Å; I230-Q234 WeakPolarHBondContact O-CB 3.37Å; I230-Q234 VanDerWaalsContact O-CG 3.27Å; I230-Q234 WeakPolarHBondContact O-CG 3.42Å; I230-Q234 PolarHBondContact O-N 3.48Å; I230-W245 HydrophobicContact CB-CD2 4.39Å; I230-W245 HydrophobicContact CB-CG 4.37Å; I230-W245 HydrophobicContact CG1-CD2 3.68Å; I230-W245 HydrophobicContact CG1-CE3 4.37Å; I230-W245 HydrophobicContact CG1-CG 3.76Å; I230-W245 HydrophobicContact CG1-CZ2 4.08Å; I230-W245 HydrophobicContact CG2-CB 4.48Å; I230-W245 HydrophobicContact CG2-CG 4.45Å |
| 231 | E | 86.6 | Confident | 77.2 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | -177.3 | -55.5 | 73.3 | -157.1 | 0 | 0 | 110.3 | S229 C233 Q234 D235 | S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 VanDerWaalsContact CB-OE2 3.26Å; S229-E231 WeakPolarHBondContact CB-OE2 3.26Å; S229-E231 PolarHBondContact OG-N 3.36Å; S229-E231 PolarHBondContact OG-OE2 3.4Å; E231-C233 PolarHBondContact O-N 2.85Å; E231-Q234 PolarHBondContact O-N 3.47Å; E231-D235 WeakPolarHBondContact O-CB 3.44Å; E231-D235 PolarHBondContact O-N 2.85Å |
| 232 | E | 86.5 | Confident | 77 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -36.4 | 176.5 | -72.5 | -176.9 | 174.9 | 0 | 0 | 112.6 | R227 N228 S229 A236 | R227-E232 HydrophobicContact CB-CB 3.96Å; R227-E232 HydrophobicContact CG-CB 4.43Å; N228-E232 PolarHBondContact N-OE2 3.47Å; S229-E232 PolarHBondContact OG-N 2.77Å; S229-E232 VanDerWaalsContact OG-N 3.14Å; E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 3.19Å |
| 233 | C | 87.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | R227 S229 I230 E231 C243 W245 C252 | R227-C233 HydrophobicContact CB-CB 4.36Å; S229-C233 VanDerWaalsContact O-CB 3.3Å; S229-C233 WeakPolarHBondContact O-CB 3.27Å; S229-C233 PolarHBondContact O-N 3.13Å; I230-C233 WeakPolarHBondContact O-CB 3.3Å; I230-C233 PolarHBondContact O-N 2.9Å; E231-C233 PolarHBondContact O-N 2.85Å; C233-C243 WeakPolarHBondContact O-CB 3.35Å; C233-W245 HydrophobicContact CB-CB 4.42Å; C233-W245 HydrophobicContact CB-CE3 3.98Å; C233-W245 PolarHBondContact SG-N 3.14Å; C233-C252 WeakPolarHBondContact CA-SG 3.44Å; C233-C252 HydrophobicContact CB-CB 3.58Å; C233-C252 WeakPolarHBondContact CB-SG 3.46Å; C233-C252 VanDerWaalsContact SG-CA 3.53Å; C233-C252 WeakPolarHBondContact SG-CB 3.4Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.31Å |
| 234 | Q | 83 | Confident | 77.5 | Confident | 125 Ų | 125 | 72.7 Ų | 72.7 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73.8 | -34 | -179.9 | -72.7 | 176.4 | -6 | 0 | 0 | 112.5 | I230 E231 A236 | I230-Q234 HydrophobicContact CG2-CG 4.35Å; I230-Q234 WeakPolarHBondContact O-CB 3.37Å; I230-Q234 VanDerWaalsContact O-CG 3.27Å; I230-Q234 WeakPolarHBondContact O-CG 3.42Å; I230-Q234 PolarHBondContact O-N 3.48Å; E231-Q234 PolarHBondContact O-N 3.47Å; Q234-A236 VanDerWaalsContact C-N 3.28Å |
| 235 | D | 80.2 | Confident | 77.6 | Confident | 139 Ų | 139 | 74.3 Ų | 74.3 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -75.2 | -19 | 176.9 | -71.5 | -20.2 | 0 | 0 | 0 | 112.5 | E231 K237 | E231-D235 WeakPolarHBondContact O-CB 3.44Å; E231-D235 PolarHBondContact O-N 2.85Å; D235-K237 VanDerWaalsContact C-N 3.31Å; D235-K237 PolarHBondContact O-N 3.39Å |
| 236 | A | 71.8 | Confident | 77.7 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | trans | -72.4 | 81.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R227 E232 Q234 C243 | R227-A236 HydrophobicContact CG-CB 4.41Å; E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 3.19Å; Q234-A236 VanDerWaalsContact C-N 3.28Å; A236-C243 HydrophobicContact CB-CB 4.23Å | ||
| 237 | K | 63.6 | Low | 78 | Confident | 191 Ų | 191 | 75.3 Ų | 75.3 | 83% | 0.83 | 39% | 0.386 | S | S | * | . | B | Isolated β-bridge | trans | -98 | 93.7 | 160.3 | -67.8 | 178.6 | -176.1 | 173 | 0 | 108.3 | D235 | D235-K237 VanDerWaalsContact C-N 3.31Å; D235-K237 PolarHBondContact O-N 3.39Å |
| 238 | S | 59.2 | Low | 77.9 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | trans | -78.5 | 164.3 | 161.9 | 83.9 | 0 | 0 | 0 | 0 | 108.9 | N240 E241 | S238-N240 PolarHBondContact O-N 3.29Å; S238-N240 VanDerWaalsContact O-N 3.17Å; S238-E241 WeakPolarHBondContact OG-CB 3.33Å; S238-E241 PolarHBondContact OG-N 3.02Å; S238-E241 PolarHBondContact OG-O 3.38Å | ||
| 239 | S | 53.9 | Low | 77.9 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 83% | 0.832 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -63 | -21 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 240 | N | 58.1 | Low | 77.8 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -130.4 | -8.5 | -171.8 | -70.2 | -6.3 | 0 | 0 | 0 | 114.9 | S238 N256 | S238-N240 PolarHBondContact O-N 3.29Å; S238-N240 VanDerWaalsContact O-N 3.17Å; N240-N256 PolarHBondContact O-ND2 3.22Å |
| 241 | E | 68 | Low | 77.7 | Confident | 59 Ų | 59 | 71 Ų | 71 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | trans | -127 | 118.3 | -175.8 | -59.6 | 174.8 | 178.9 | 0 | 0 | 110.4 | S238 | S238-E241 WeakPolarHBondContact OG-CB 3.33Å; S238-E241 PolarHBondContact OG-N 3.02Å; S238-E241 PolarHBondContact OG-O 3.38Å | ||
| 242 | M | 80.3 | Confident | 77.6 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 112.9 | 171.7 | -163.6 | 173.5 | 101.3 | 0 | 0 | 109.2 | I244 S255 N256 R261 | M242-I244 HydrophobicContact CE-CD1 3.72Å; M242-I244 HydrophobicContact CE-CG1 4.15Å; M242-S255 PolarHBondContact O-N 3.42Å; M242-N256 PolarHBondContact N-OD1 3.49Å; M242-R261 PolarHBondContact SD-NH2 3.07Å; M242-R261 VanDerWaalsContact SD-NH2 3.39Å |
| 243 | C | 84.6 | Confident | 77.5 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.4 | 176.1 | -62 | 0 | 0 | 0 | 0 | 111.4 | C224 C233 A236 C252 V253 | C224-C243 HydrophobicContact CB-CB 3.9Å; C224-C243 WeakPolarHBondContact CB-SG 3.31Å; C224-C243 WeakPolarHBondContact SG-CA 3.15Å; C224-C243 WeakPolarHBondContact SG-CB 3.47Å; C224-C243 CovalentContact SG-SG 2.04Å; C224-C243 PolarHBondContact SG-SG 3.02Å; C233-C243 WeakPolarHBondContact O-CB 3.35Å; A236-C243 HydrophobicContact CB-CB 4.23Å; C243-C252 VanDerWaalsContact CB-SG 3.6Å; C243-V253 CarbonylContact C-O 3.46Å; C243-V253 WeakPolarHBondContact CA-O 3.17Å |
| 244 | I | 86.2 | Confident | 77.3 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.9 | 174.7 | -58.7 | -172.8 | 0 | 0 | 0 | 109.2 | M242 V253 S255 L265 | M242-I244 HydrophobicContact CE-CD1 3.72Å; M242-I244 HydrophobicContact CE-CG1 4.15Å; I244-V253 PolarHBondContact N-O 2.9Å; I244-V253 WeakPolarHBondContact O-CG2 3.34Å; I244-V253 PolarHBondContact O-N 3.18Å; I244-S255 WeakPolarHBondContact CD1-OG 3.45Å; I244-L265 HydrophobicContact CD1-CD2 3.56Å; I244-L265 HydrophobicContact CD1-CG 4.41Å; I244-L265 HydrophobicContact CG2-CD2 4.17Å |
| 245 | W | 87 | Confident | 76.8 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.2 | 173.6 | -176.1 | -100.9 | 0 | 0 | 0 | 111.2 | I230 C233 E247 C252 | I230-W245 HydrophobicContact CB-CD2 4.39Å; I230-W245 HydrophobicContact CB-CG 4.37Å; I230-W245 HydrophobicContact CG1-CD2 3.68Å; I230-W245 HydrophobicContact CG1-CE3 4.37Å; I230-W245 HydrophobicContact CG1-CG 3.76Å; I230-W245 HydrophobicContact CG1-CZ2 4.08Å; I230-W245 HydrophobicContact CG2-CB 4.48Å; I230-W245 HydrophobicContact CG2-CG 4.45Å; C233-W245 HydrophobicContact CB-CB 4.42Å; C233-W245 HydrophobicContact CB-CE3 3.98Å; C233-W245 PolarHBondContact SG-N 3.14Å; W245-E247 VanDerWaalsContact CD1-CD 3.44Å; W245-E247 PolarHBondContact NE1-OE2 3.13Å; W245-C252 HydrophobicContact CE3-CB 4.17Å; W245-C252 HydrophobicContact CZ3-CB 4.47Å |
| 246 | C | 84.7 | Confident | 76 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 107 | 176.7 | -161.7 | 0 | 0 | 0 | 0 | 110 | A249 H250 M251 V253 C268 | C246-A249 HydrophobicContact CB-CB 4.28Å; C246-A249 PolarHBondContact O-N 2.73Å; C246-H250 WeakPolarHBondContact O-CA 3.48Å; C246-H250 PolarHBondContact O-N 3.17Å; C246-M251 VanDerWaalsContact CB-O 3.27Å; C246-M251 WeakPolarHBondContact CB-O 3.4Å; C246-M251 PolarHBondContact N-O 3.11Å; C246-M251 PolarHBondContact O-N 2.91Å; C246-V253 HydrophobicContact CB-CG1 4.21Å; C246-V253 HydrophobicContact CB-CG2 4.24Å; C246-C268 HydrophobicContact CB-CB 3.81Å; C246-C268 WeakPolarHBondContact CB-SG 3.44Å; C246-C268 WeakPolarHBondContact SG-CA 3.41Å; C246-C268 WeakPolarHBondContact SG-CB 3.37Å; C246-C268 CovalentContact SG-SG 2.04Å; C246-C268 PolarHBondContact SG-SG 2.87Å |
| 247 | E | 84.4 | Confident | 75.7 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -44.4 | -175.4 | -65.2 | -71.4 | -165.7 | 0 | 0 | 111.9 | W245 A249 H250 C268 | W245-E247 VanDerWaalsContact CD1-CD 3.44Å; W245-E247 PolarHBondContact NE1-OE2 3.13Å; E247-A249 PolarHBondContact O-N 2.93Å; E247-H250 PolarHBondContact O-CE1 3.07Å; E247-H250 PolarHBondContact O-N 3.38Å; E247-H250 VanDerWaalsContact O-N 3.14Å; E247-H250 PolarHBondContact O-ND1 2.99Å; E247-C268 PolarHBondContact N-O 2.91Å |
| 248 | S | 80.3 | Confident | 75.4 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -29.3 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | G267 | S248-G267 PolarHBondContact OG-O 2.89Š|
| 249 | A | 80 | Confident | 75.3 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K40 V42 C246 E247 M251 | K40-A249 HydrophobicContact CB-CB 4.24Å; K40-A249 HydrophobicContact CD-CB 4.32Å; K40-A249 WeakPolarHBondContact CD-O 3.45Å; K40-A249 WeakPolarHBondContact CE-O 3.27Å; K40-A249 PolarHBondContact NZ-O 3Å; V42-A249 HydrophobicContact CG2-CB 4.16Å; C246-A249 HydrophobicContact CB-CB 4.28Å; C246-A249 PolarHBondContact O-N 2.73Å; E247-A249 PolarHBondContact O-N 2.93Å; A249-M251 HydrophobicContact CB-CG 3.7Å; A249-M251 HydrophobicContact CB-SD 4.07Å; A249-M251 PolarHBondContact O-N 2.69Å |
| 250 | H | 82.3 | Confident | 75.6 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 51.7 | -172.5 | -61.3 | -67.8 | 0 | 0 | 0 | 112.3 | K40 C246 E247 | K40-H250 PolarHBondContact NZ-O 3.17Å; C246-H250 WeakPolarHBondContact O-CA 3.48Å; C246-H250 PolarHBondContact O-N 3.17Å; E247-H250 PolarHBondContact O-CE1 3.07Å; E247-H250 PolarHBondContact O-N 3.38Å; E247-H250 VanDerWaalsContact O-N 3.14Å; E247-H250 PolarHBondContact O-ND1 2.99Å |
| 251 | M | 84 | Confident | 75.8 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 155.7 | -179.5 | 69.1 | -177.8 | -64.2 | 0 | 0 | 112.6 | K40 H52 L221 P225 C246 A249 V253 | K40-M251 HydrophobicContact CD-SD 4.26Å; H52-M251 HydrophobicContact CB-CE 4.03Å; H52-M251 HydrophobicContact CB-SD 3.32Å; H52-M251 WeakPolarHBondContact CB-SD 3.31Å; L221-M251 HydrophobicContact CD1-CE 4.21Å; P225-M251 HydrophobicContact CB-CE 3.93Å; P225-M251 HydrophobicContact CG-CE 4.17Å; C246-M251 VanDerWaalsContact CB-O 3.27Å; C246-M251 WeakPolarHBondContact CB-O 3.4Å; C246-M251 PolarHBondContact N-O 3.11Å; C246-M251 PolarHBondContact O-N 2.91Å; A249-M251 HydrophobicContact CB-CG 3.7Å; A249-M251 HydrophobicContact CB-SD 4.07Å; A249-M251 PolarHBondContact O-N 2.69Å; M251-V253 HydrophobicContact CE-CG1 4.35Å; M251-V253 HydrophobicContact CG-CG1 3.92Å; M251-V253 HydrophobicContact SD-CG1 4.4Å |
| 252 | C | 85 | Confident | 75.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.2 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | C224 P225 R227 C233 C243 W245 | C224-C252 CarbonylContact C-O 3.5Å; C224-C252 WeakPolarHBondContact O-CB 3.47Å; C224-C252 PolarHBondContact O-SG 2.98Å; P225-C252 VanDerWaalsContact CA-O 3.28Å; P225-C252 WeakPolarHBondContact CA-O 3.39Å; R227-C252 HydrophobicContact CB-CB 4.04Å; C233-C252 WeakPolarHBondContact CA-SG 3.44Å; C233-C252 HydrophobicContact CB-CB 3.58Å; C233-C252 WeakPolarHBondContact CB-SG 3.46Å; C233-C252 VanDerWaalsContact SG-CA 3.53Å; C233-C252 WeakPolarHBondContact SG-CB 3.4Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.31Å; C243-C252 VanDerWaalsContact CB-SG 3.6Å; W245-C252 HydrophobicContact CE3-CB 4.17Å; W245-C252 HydrophobicContact CZ3-CB 4.47Å |
| 253 | V | 84.2 | Confident | 74.9 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.1 | -173.4 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | C243 I244 C246 M251 | C243-V253 CarbonylContact C-O 3.46Å; C243-V253 WeakPolarHBondContact CA-O 3.17Å; I244-V253 PolarHBondContact N-O 2.9Å; I244-V253 WeakPolarHBondContact O-CG2 3.34Å; I244-V253 PolarHBondContact O-N 3.18Å; C246-V253 HydrophobicContact CB-CG1 4.21Å; C246-V253 HydrophobicContact CB-CG2 4.24Å; M251-V253 HydrophobicContact CE-CG1 4.35Å; M251-V253 HydrophobicContact CG-CG1 3.92Å; M251-V253 HydrophobicContact SD-CG1 4.4Å |
| 254 | T | 82.3 | Confident | 74.1 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.3 | 174.9 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | L221 C224 | L221-T254 WeakPolarHBondContact CD2-OG1 3.43Å; L221-T254 WeakPolarHBondContact O-CG2 3.47Å; C224-T254 HydrophobicContact CB-CG2 4.15Å; C224-T254 WeakPolarHBondContact SG-CG2 3.29Å |
| 255 | S | 72.8 | Confident | 73.1 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -119.8 | 32 | 179.9 | -169.2 | 0 | 0 | 0 | 0 | 112.9 | M242 I244 R261 | M242-S255 PolarHBondContact O-N 3.42Å; I244-S255 WeakPolarHBondContact CD1-OG 3.45Å; S255-R261 PolarHBondContact O-NE 2.8Å; S255-R261 PolarHBondContact O-NH2 2.74Å; S255-R261 PolarHBondContact OG-NE 2.89Å | ||
| 256 | N | 63.8 | Low | 72.2 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | trans | -80.1 | -21.3 | -177.4 | -76.6 | 3.8 | 0 | 0 | 0 | 113.9 | N240 M242 N258 | N240-N256 PolarHBondContact O-ND2 3.22Å; M242-N256 PolarHBondContact N-OD1 3.49Å; N256-N258 PolarHBondContact O-N 2.81Å | ||
| 257 | D | 64.4 | Low | 71.3 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | trans | -79.9 | 106 | 179.8 | -161.2 | -33.6 | 0 | 0 | 0 | 110.8 | K166 D259 R261 | K166-D257 IonicContact NZ-OD2 3.86Å; K166-D257 PolarHBondContact NZ-OD2 2.98Å; D257-D259 VanDerWaalsContact C-N 3.28Å; D257-D259 PolarHBondContact O-N 3.4Å; D257-D259 PolarHBondContact OD1-N 2.82Å; D257-R261 WeakPolarHBondContact O-CA 3.09Å; D257-R261 VanDerWaalsContact O-CB 3.25Å; D257-R261 WeakPolarHBondContact O-CB 3.43Å; D257-R261 PolarHBondContact O-N 2.66Å | ||
| 258 | N | 57.3 | Low | 70.9 | Confident | 128 Ų | 128 | 47.5 Ų | 47.5 | 68% | 0.684 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.7 | 179.2 | -72.2 | -33.4 | 0 | 0 | 0 | 112.8 | N256 I260 | N256-N258 PolarHBondContact O-N 2.81Å; N258-I260 VanDerWaalsContact C-N 3.28Å; N258-I260 PolarHBondContact O-N 2.87Å |
| 259 | D | 58.2 | Low | 70.2 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 83% | 0.829 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.4 | -173.2 | -65.2 | -27.8 | 0 | 0 | 0 | 111.5 | D257 | D257-D259 VanDerWaalsContact C-N 3.28Å; D257-D259 PolarHBondContact O-N 3.4Å; D257-D259 PolarHBondContact OD1-N 2.82Å |
| 260 | I | 60.4 | Low | 68.9 | Low | 40 Ų | 40 | 57.1 Ų | 57.1 | 21% | 0.205 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 1.9 | -177.1 | -40.4 | -179.8 | 0 | 0 | 0 | 110.8 | N258 D262 F263 K264 | N258-I260 VanDerWaalsContact C-N 3.28Å; N258-I260 PolarHBondContact O-N 2.87Å; I260-D262 VanDerWaalsContact C-N 3.34Å; I260-D262 PolarHBondContact O-N 2.77Å; I260-F263 HydrophobicContact CG2-CB 3.78Å; I260-F263 HydrophobicContact CG2-CD1 3.56Å; I260-F263 HydrophobicContact CG2-CG 4.02Å; I260-F263 PolarHBondContact O-N 3.04Å; I260-F263 VanDerWaalsContact O-N 3.13Å; I260-K264 HydrophobicContact CB-CG 4.5Å; I260-K264 HydrophobicContact CG2-CG 4.03Å; I260-K264 WeakPolarHBondContact O-CB 3.17Å; I260-K264 WeakPolarHBondContact O-CG 3.43Å; I260-K264 PolarHBondContact O-N 3.41Å |
| 261 | R | 61.8 | Low | 66.9 | Low | 73 Ų | 73 | 57.8 Ų | 57.8 | 28% | 0.275 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.6 | -49.3 | -177.4 | 172.5 | 175.4 | -93.8 | -166.8 | 1 | 111.6 | M242 S255 D257 F263 K264 L265 | M242-R261 PolarHBondContact SD-NH2 3.07Å; M242-R261 VanDerWaalsContact SD-NH2 3.39Å; S255-R261 PolarHBondContact O-NE 2.8Å; S255-R261 PolarHBondContact O-NH2 2.74Å; S255-R261 PolarHBondContact OG-NE 2.89Å; D257-R261 WeakPolarHBondContact O-CA 3.09Å; D257-R261 VanDerWaalsContact O-CB 3.25Å; D257-R261 WeakPolarHBondContact O-CB 3.43Å; D257-R261 PolarHBondContact O-N 2.66Å; R261-F263 VanDerWaalsContact C-N 3.33Å; R261-F263 PolarHBondContact O-N 2.67Å; R261-K264 PolarHBondContact O-N 3.35Å; R261-L265 HydrophobicContact CG-CD1 3.76Å; R261-L265 HydrophobicContact CG-CG 4.33Å; R261-L265 VanDerWaalsContact O-CB 3.28Å; R261-L265 WeakPolarHBondContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.48Å; R261-L265 PolarHBondContact O-N 3.43Å |
| 262 | D | 63.4 | Low | 64.5 | Low | 117 Ų | 117 | 64.7 Ų | 64.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | -179.5 | -70.6 | -14.9 | 0 | 0 | 0 | 111.5 | I260 L265 N266 | I260-D262 VanDerWaalsContact C-N 3.34Å; I260-D262 PolarHBondContact O-N 2.77Å; D262-L265 PolarHBondContact O-N 2.9Å; D262-N266 VanDerWaalsContact O-CB 3.27Å; D262-N266 WeakPolarHBondContact O-CB 3.32Å; D262-N266 PolarHBondContact O-N 2.78Å; D262-N266 PolarHBondContact O-ND2 3.36Å; D262-N266 VanDerWaalsContact O-ND2 3.14Å |
| 263 | F | 65.8 | Low | 62 | Low | 59 Ų | 59 | 70.4 Ų | 70.4 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 176.2 | 177.9 | -90.2 | 0 | 0 | 0 | 112.1 | L43 Y48 Y50 I260 R261 N266 G267 | L43-F263 HydrophobicContact CD2-CD2 4.47Å; L43-F263 HydrophobicContact CD2-CE1 4.44Å; L43-F263 HydrophobicContact CD2-CE2 3.59Å; L43-F263 HydrophobicContact CD2-CZ 3.58Å; Y48-F263 HydrophobicContact CD2-CE2 4.36Å; Y48-F263 AromaticContact CD2-CZ 3.87Å; Y48-F263 HydrophobicContact CD2-CZ 3.87Å; Y48-F263 HydrophobicContact CE2-CE2 4.09Å; Y48-F263 AromaticContact CE2-CZ 3.8Å; Y48-F263 HydrophobicContact CE2-CZ 3.8Å; Y50-F263 HydrophobicContact CD1-CE1 4.43Å; Y50-F263 HydrophobicContact CG-CE1 4.11Å; I260-F263 HydrophobicContact CG2-CB 3.78Å; I260-F263 HydrophobicContact CG2-CD1 3.56Å; I260-F263 HydrophobicContact CG2-CG 4.02Å; I260-F263 PolarHBondContact O-N 3.04Å; I260-F263 VanDerWaalsContact O-N 3.13Å; R261-F263 VanDerWaalsContact C-N 3.33Å; R261-F263 PolarHBondContact O-N 2.67Å; F263-N266 PolarHBondContact O-N 2.9Å; F263-G267 PolarHBondContact O-N 3.27Å |
| 264 | K | 68.4 | Low | 59.4 | Low | 6 Ų | 6 | 77.8 Ų | 77.8 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.3 | -73.4 | 175.9 | -178.8 | -177.3 | 0 | 110.4 | Y50 E219 I260 R261 G267 C268 | Y50-K264 HydrophobicContact CE1-CG 4.3Å; Y50-K264 WeakPolarHBondContact OH-CE 3.23Å; E219-K264 IonicContact OE1-NZ 2.66Å; E219-K264 PolarHBondContact OE1-NZ 3.21Å; E219-K264 IonicContact OE2-NZ 3.54Å; E219-K264 PolarHBondContact OE2-NZ 2.88Å; I260-K264 HydrophobicContact CB-CG 4.5Å; I260-K264 HydrophobicContact CG2-CG 4.03Å; I260-K264 WeakPolarHBondContact O-CB 3.17Å; I260-K264 WeakPolarHBondContact O-CG 3.43Å; I260-K264 PolarHBondContact O-N 3.41Å; R261-K264 PolarHBondContact O-N 3.35Å; K264-G267 PolarHBondContact O-N 3.23Å; K264-C268 WeakPolarHBondContact O-CB 3.37Å; K264-C268 PolarHBondContact O-N 3.41Å; K264-C268 PolarHBondContact O-SG 3.25Å |
| 265 | L | 65.2 | Low | 56.9 | Low | 26 Ų | 26 | 84.4 Ų | 84.4 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 177 | -78.3 | 172.2 | 0 | 0 | 0 | 111.9 | I244 R261 D262 C268 R269 | I244-L265 HydrophobicContact CD1-CD2 3.56Å; I244-L265 HydrophobicContact CD1-CG 4.41Å; I244-L265 HydrophobicContact CG2-CD2 4.17Å; R261-L265 HydrophobicContact CG-CD1 3.76Å; R261-L265 HydrophobicContact CG-CG 4.33Å; R261-L265 VanDerWaalsContact O-CB 3.28Å; R261-L265 WeakPolarHBondContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.48Å; R261-L265 PolarHBondContact O-N 3.43Å; D262-L265 PolarHBondContact O-N 2.9Å; L265-C268 PolarHBondContact O-N 3.42Å; L265-R269 WeakPolarHBondContact O-CB 3.37Å; L265-R269 WeakPolarHBondContact O-CG 3.37Å; L265-R269 PolarHBondContact O-N 3.18Å |
| 266 | N | 68 | Low | 54.9 | Low | 99 Ų | 99 | 89.8 Ų | 89.8 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | -179.4 | -71.2 | -23.2 | 0 | 0 | 0 | 111.5 | D262 F263 C268 R269 V270 | D262-N266 VanDerWaalsContact O-CB 3.27Å; D262-N266 WeakPolarHBondContact O-CB 3.32Å; D262-N266 PolarHBondContact O-N 2.78Å; D262-N266 PolarHBondContact O-ND2 3.36Å; D262-N266 VanDerWaalsContact O-ND2 3.14Å; F263-N266 PolarHBondContact O-N 2.9Å; N266-C268 VanDerWaalsContact C-N 3.32Å; N266-C268 PolarHBondContact O-N 3.02Å; N266-R269 PolarHBondContact O-N 3.26Å; N266-V270 VanDerWaalsContact O-CG2 3.22Å; N266-V270 WeakPolarHBondContact O-CG2 3.3Å; N266-V270 PolarHBondContact O-N 3.42Å |
| 267 | G | 65.9 | Low | 53.2 | Low | 2 Ų | 2 | 94.2 Ų | 94.2 | 2% | 0.021 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S248 F263 K264 | S248-G267 PolarHBondContact OG-O 2.89Å; F263-G267 PolarHBondContact O-N 3.27Å; K264-G267 PolarHBondContact O-N 3.23Å |
| 268 | C | 74.8 | Confident | 51.5 | Low | 6 Ų | 6 | 97.3 Ų | 97.3 | 4% | 0.041 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -76.4 | -26 | 175.3 | -75.7 | 0 | 0 | 0 | 0 | 113.9 | C246 E247 K264 L265 N266 | C246-C268 HydrophobicContact CB-CB 3.81Å; C246-C268 WeakPolarHBondContact CB-SG 3.44Å; C246-C268 WeakPolarHBondContact SG-CA 3.41Å; C246-C268 WeakPolarHBondContact SG-CB 3.37Å; C246-C268 CovalentContact SG-SG 2.04Å; C246-C268 PolarHBondContact SG-SG 2.87Å; E247-C268 PolarHBondContact N-O 2.91Å; K264-C268 WeakPolarHBondContact O-CB 3.37Å; K264-C268 PolarHBondContact O-N 3.41Å; K264-C268 PolarHBondContact O-SG 3.25Å; L265-C268 PolarHBondContact O-N 3.42Å; N266-C268 VanDerWaalsContact C-N 3.32Å; N266-C268 PolarHBondContact O-N 3.02Å |
| 269 | R | 67 | Low | 50.4 | Low | 169 Ų | 169 | 97.6 Ų | 97.6 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 1.6 | -178 | -75 | 176.1 | -180 | 175.7 | 1.4 | 114.3 | L265 N266 K271 | L265-R269 WeakPolarHBondContact O-CB 3.37Å; L265-R269 WeakPolarHBondContact O-CG 3.37Å; L265-R269 PolarHBondContact O-N 3.18Å; N266-R269 PolarHBondContact O-N 3.26Å; R269-K271 PolarHBondContact O-N 2.63Å |
| 270 | V | 52.5 | Low | 49 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | trans | -63.6 | 81.2 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | L43 N266 | L43-V270 HydrophobicContact CD1-CG2 4.41Å; N266-V270 VanDerWaalsContact O-CG2 3.22Å; N266-V270 WeakPolarHBondContact O-CG2 3.3Å; N266-V270 PolarHBondContact O-N 3.42Å | ||
| 271 | K | 40.7 | Very low | 47.4 | Very low | 141 Ų | 141 | 103.1 Ų | 103.1 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -71.4 | 133.8 | 150.1 | -72.7 | -172.7 | 174.8 | -176.4 | 0 | 105.2 | R269 N273 | R269-K271 PolarHBondContact O-N 2.63Å; K271-N273 WeakPolarHBondContact CB-OD1 3.08Å; K271-N273 PolarHBondContact O-N 2.87Å | ||
| 272 | N | 33.6 | Very low | 45.7 | Very low | 151 Ų | 151 | 105.1 Ų | 105.1 | 81% | 0.807 | 58% | 0.577 | S | S | * | * | trans | -59.7 | 72.9 | 156.9 | -83.3 | -7 | 0 | 0 | 0 | 108.8 | L274 | N272-L274 PolarHBondContact O-N 3.34Å; N272-L274 VanDerWaalsContact O-N 3.15Å | ||
| 273 | N | 31.1 | Very low | 43.8 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | trans | -85.9 | 71.8 | 165.3 | -82.4 | 16.6 | 0 | 0 | 0 | 106.9 | K271 | K271-N273 WeakPolarHBondContact CB-OD1 3.08Å; K271-N273 PolarHBondContact O-N 2.87Å | ||
| 274 | L | 29.8 | Very low | 41.8 | Very low | 161 Ų | 161 | 109.7 Ų | 109.7 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -80.6 | 9.4 | 158.7 | -86.3 | 174.4 | 0 | 0 | 0 | 112.3 | N272 | N272-L274 PolarHBondContact O-N 3.34Å; N272-L274 VanDerWaalsContact O-N 3.15Å | ||
| 275 | N | 30 | Very low | 39.7 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | trans | -128.4 | 94.7 | 176.7 | -82.6 | 5.2 | 0 | 0 | 0 | 109.8 | ||||
| 276 | V | 30.5 | Very low | 37.7 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | trans | -151.4 | 97.8 | 139.2 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | A278 | V276-A278 PolarHBondContact O-N 2.86Š| ||
| 277 | D | 29.2 | Very low | 35.7 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 117.1 | 144.2 | -69.2 | -56.8 | 0 | 0 | 0 | 108.1 | ||||
| 278 | A | 27.9 | Very low | 33.7 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | trans | 148.4 | 127.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V276 | V276-A278 PolarHBondContact O-N 2.86Š| ||
| 279 | P | 34.1 | Very low | 31.4 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -89.7 | 136.8 | -175.4 | 34.5 | -31.5 | 0 | 0 | 0 | 111.9 | ||||
| 280 | S | 30 | Very low | 29.3 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -126 | 122.8 | 164.5 | 62 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 281 | E | 26 | Very low | 27.9 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -56.8 | 132.2 | -172.7 | -66.4 | 165.2 | 138.7 | 0 | 0 | 113.9 | ||||
| 282 | S | 26.2 | Very low | 27.1 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -87.3 | 114.7 | 166.7 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | L284 | S282-L284 PolarHBondContact O-N 2.83Š| ||
| 283 | T | 22.8 | Very low | 26.6 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 107.9 | 170.2 | -40.2 | 0 | 0 | 0 | 0 | 109.8 | N285 | T283-N285 PolarHBondContact O-N 2.94Š| ||
| 284 | L | 25.1 | Very low | 26.3 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | -83.7 | 100.8 | 174.3 | -177.2 | 76.3 | 0 | 0 | 0 | 109.7 | S282 K286 | S282-L284 PolarHBondContact O-N 2.83Å; L284-K286 PolarHBondContact O-N 2.81Å; L284-K286 VanDerWaalsContact O-N 3.13Å | ||
| 285 | N | 24.3 | Very low | 26 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -73.7 | 100.3 | 167.7 | -80.5 | -15.1 | 0 | 0 | 0 | 109.6 | T283 Q287 | T283-N285 PolarHBondContact O-N 2.94Å; N285-Q287 PolarHBondContact O-N 2.98Å | ||
| 286 | K | 23.3 | Very low | 25.5 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | -66.6 | 114.2 | 164 | -77.8 | 177.4 | 173.9 | 178.7 | 0 | 109 | L284 | L284-K286 PolarHBondContact O-N 2.81Å; L284-K286 VanDerWaalsContact O-N 3.13Å | ||
| 287 | Q | 24.2 | Very low | 25.2 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -97.3 | 106.2 | 155 | -98.1 | -177.5 | -21.8 | 0 | 0 | 108.7 | N285 | N285-Q287 PolarHBondContact O-N 2.98Š| ||
| 288 | E | 23.9 | Very low | 25 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -61.9 | 122.8 | 170.9 | -169.7 | 170.1 | -161.9 | 0 | 0 | 110 | ||||
| 289 | K | 26.6 | Very low | 24.7 | Very low | 206 Ų | 206 | 157.5 Ų | 157.5 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -127.1 | 117.9 | 157.1 | -104.5 | -175.3 | 179.8 | -178.8 | 0 | 108.3 | ||||
| 290 | T | 24.1 | Very low | 24.1 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -61.4 | 132.5 | -172 | -31.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 291 | N | 21.8 | Very low | 23.7 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | trans | -71 | 120.3 | 165.5 | -69.2 | -25.2 | 0 | 0 | 0 | 108.5 | ||||
| 292 | E | 25.9 | Very low | 23.8 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | trans | -113.5 | 121.2 | 156.1 | -95.6 | -177.5 | 169.6 | 0 | 0 | 108.7 | ||||
| 293 | E | 22.1 | Very low | 23.5 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -68.3 | 124.3 | 176.8 | 179.2 | 179 | 176 | 0 | 0 | 110.1 | ||||
| 294 | L | 24.1 | Very low | 23.6 | Very low | 168 Ų | 168 | 158.4 Ų | 158.4 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -130 | 121.9 | 166.2 | -96.4 | 160.8 | 0 | 0 | 0 | 109.4 | ||||
| 295 | T | 23.9 | Very low | 23.5 | Very low | 120 Ų | 120 | 161 Ų | 161 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | trans | -63.7 | 147.9 | -175 | 43.1 | 0 | 0 | 0 | 0 | 114.4 | A297 | T295-A297 PolarHBondContact O-N 3.46Š| ||
| 296 | E | 20.5 | Very low | 23.3 | Very low | 199 Ų | 199 | 160.7 Ų | 160.7 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | trans | -53.5 | 124 | 166.5 | -70.1 | 172.1 | 134.9 | 0 | 0 | 112.7 | ||||
| 297 | A | 24.4 | Very low | 23.2 | Very low | 97 Ų | 97 | 158.4 Ų | 158.4 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | trans | -168.8 | 125.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T295 | T295-A297 PolarHBondContact O-N 3.46Š| ||
| 298 | D | 23.1 | Very low | 23.2 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | 87.6 | 112.5 | 148 | -128.3 | 2.1 | 0 | 0 | 0 | 122.3 | ||||
| 299 | L | 21.7 | Very low | 23.2 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | trans | -18.1 | 138.5 | 156.9 | -63.6 | 158.7 | 0 | 0 | 0 | 118.3 | ||||
| 300 | G | 21.4 | Very low | 23.1 | Very low | 79 Ų | 79 | 153.8 Ų | 153.8 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 166 | 105.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 301 | N | 23 | Very low | 23.2 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -48.8 | 133.9 | 173.9 | -71.8 | -40.1 | 0 | 0 | 0 | 113.6 | ||||
| 302 | D | 26.9 | Very low | 23.7 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | -155.4 | 127.4 | 125.7 | -107.6 | -26.8 | 0 | 0 | 0 | 112.6 | |||||
| 303 | S | 19.7 | Very low | 23.6 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -88.5 | 124.8 | 178.7 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 304 | K | 25 | Very low | 23.9 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | 177.5 | 129 | 127.6 | -101.2 | 161.8 | -178.6 | 169.3 | 0 | 114.7 | |||||
| 305 | K | 22.8 | Very low | 23.9 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | 70.5 | 84.5 | 148.2 | -85.8 | -178.4 | 166.6 | -178.6 | 0 | 118.1 | ||||
| 306 | T | 20.6 | Very low | 24 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -93.1 | 117.7 | 146.1 | -47.2 | 0 | 0 | 0 | 0 | 108.2 | E308 | T306-E308 PolarHBondContact O-N 2.9Š| ||
| 307 | T | 22 | Very low | 24.2 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 108.2 | 172.1 | -9.3 | 0 | 0 | 0 | 0 | 108.4 | K309 | T307-K309 PolarHBondContact O-N 2.82Š| ||
| 308 | E | 23.1 | Very low | 24.1 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 112.4 | 168.6 | -82.3 | 178.3 | 136.6 | 0 | 0 | 109.8 | T306 | T306-E308 PolarHBondContact O-N 2.9Š| ||
| 309 | K | 24.6 | Very low | 24.2 | Very low | 212 Ų | 212 | 141.4 Ų | 141.4 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 93.8 | 152.7 | -94.5 | -175.4 | 173 | -176.6 | 0 | 106.8 | T307 | T307-K309 PolarHBondContact O-N 2.82Š| ||
| 310 | S | 24.9 | Very low | 24.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -116 | 95.1 | 164.8 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 311 | G | 25.9 | Very low | 24.5 | Very low | 59 Ų | 59 | 140.3 Ų | 140.3 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | -84.1 | 143.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | H313 | G311-H313 PolarHBondContact O-N 3.28Š| ||
| 312 | P | 32.6 | Very low | 24.4 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 110 | -175.2 | 29 | -31.2 | 0 | 0 | 0 | 110.8 | L314 | P312-L314 PolarHBondContact O-N 2.83Å; P312-L314 VanDerWaalsContact O-N 3.07Å | ||
| 313 | H | 24 | Very low | 24.4 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -69.3 | 97.1 | 164.5 | -83 | -78.6 | 0 | 0 | 0 | 109.4 | G311 T315 | G311-H313 PolarHBondContact O-N 3.28Å; H313-T315 PolarHBondContact O-N 3.06Å; H313-T315 VanDerWaalsContact O-N 3.08Å | ||
| 314 | L | 28.4 | Very low | 24.6 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 100.5 | 169.5 | -79.7 | 162.6 | 0 | 0 | 0 | 109.4 | P312 | P312-L314 PolarHBondContact O-N 2.83Å; P312-L314 VanDerWaalsContact O-N 3.07Å | ||
| 315 | T | 23.2 | Very low | 24.5 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -94 | 108.6 | 172.8 | -47.8 | 0 | 0 | 0 | 0 | 108.7 | H313 S317 | H313-T315 PolarHBondContact O-N 3.06Å; H313-T315 VanDerWaalsContact O-N 3.08Å; T315-S317 PolarHBondContact O-N 2.86Å | ||
| 316 | I | 26.8 | Very low | 24.4 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 59% | 0.59 | 78% | 0.776 | S | S | * | * | trans | -74.4 | 109.3 | 173.7 | -61.6 | 173.5 | 0 | 0 | 0 | 107.8 | ||||
| 317 | S | 23.3 | Very low | 24.3 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -94.7 | 121 | 164.3 | -69.6 | 0 | 0 | 0 | 0 | 108.8 | T315 V319 | T315-S317 PolarHBondContact O-N 2.86Å; S317-V319 PolarHBondContact O-N 3.06Å | ||
| 318 | N | 23.7 | Very low | 24.3 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -65.8 | 99 | 175.8 | -66.7 | -17 | 0 | 0 | 0 | 109.3 | ||||
| 319 | V | 25.6 | Very low | 24.2 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -91.9 | 103.1 | 170.7 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | S317 V321 | S317-V319 PolarHBondContact O-N 3.06Å; V319-V321 HydrophobicContact CG1-CG2 3.63Å; V319-V321 PolarHBondContact O-N 3.48Å | ||
| 320 | S | 21.6 | Very low | 24 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -69.9 | 104.3 | 167.1 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 321 | V | 26.4 | Very low | 23.9 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | trans | -109.3 | 91.8 | 167.7 | -170.9 | 0 | 0 | 0 | 0 | 108.5 | V319 S323 | V319-V321 HydrophobicContact CG1-CG2 3.63Å; V319-V321 PolarHBondContact O-N 3.48Å; V321-S323 WeakPolarHBondContact CG1-OG 3.21Å; V321-S323 PolarHBondContact O-N 2.99Å | ||
| 322 | L | 22.1 | Very low | 23.7 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | trans | -80.8 | 89.7 | 163.7 | -175.1 | 74.1 | 0 | 0 | 0 | 107.8 | ||||
| 323 | S | 26.5 | Very low | 23.2 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -130.7 | 110.5 | 164 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | V321 | V321-S323 WeakPolarHBondContact CG1-OG 3.21Å; V321-S323 PolarHBondContact O-N 2.99Å | ||
| 324 | K | 22.7 | Very low | 23.2 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.6 | 175.3 | -165.7 | 176 | -175.4 | 178.3 | 0 | 109.7 | T326 | K324-T326 PolarHBondContact O-N 3.14Š|
| 325 | P | 23.3 | Very low | 23 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 124.9 | -176.2 | -14.4 | 28.2 | 0 | 0 | 0 | 111.9 | ||
| 326 | T | 20.9 | Very low | 23.1 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -86 | 122.5 | 166.4 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | K324 I328 | K324-T326 PolarHBondContact O-N 3.14Å; T326-I328 PolarHBondContact O-N 3.38Å |
| 327 | L | 19.5 | Very low | 23.1 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -66.9 | 105.6 | -179.9 | -165.9 | 102.9 | 0 | 0 | 0 | 110.9 | K329 | L327-K329 HydrophobicContact CD2-CG 4.18Š| ||
| 328 | I | 21.5 | Very low | 23.2 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -96.5 | 109.9 | 168 | -59.5 | 176.6 | 0 | 0 | 0 | 107.7 | T326 Q330 | T326-I328 PolarHBondContact O-N 3.38Å; I328-Q330 PolarHBondContact O-N 2.97Å | ||
| 329 | K | 21.2 | Very low | 23.7 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 114 | 169.8 | -66.3 | 177.8 | 178.7 | 180 | 0 | 107.9 | L327 | L327-K329 HydrophobicContact CD2-CG 4.18Š| ||
| 330 | Q | 20.9 | Very low | 23.9 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 110.8 | 168.5 | -136.8 | 174.3 | -8.3 | 0 | 0 | 108.2 | I328 V332 | I328-Q330 PolarHBondContact O-N 2.97Å; Q330-V332 PolarHBondContact O-N 3.4Å | ||
| 331 | E | 21.5 | Very low | 24.2 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -71.3 | 114.9 | 180 | -168.8 | 163.5 | -170.8 | 0 | 0 | 109.1 | N333 | E331-N333 PolarHBondContact O-N 2.84Š| ||
| 332 | V | 22.7 | Very low | 24.5 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -85.3 | 106.1 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | Q330 T334 | Q330-V332 PolarHBondContact O-N 3.4Å; V332-T334 PolarHBondContact O-N 2.78Å | ||
| 333 | N | 22.1 | Very low | 24.8 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 103 | 165.6 | -99.4 | -2.5 | 0 | 0 | 0 | 109.2 | E331 Q335 | E331-N333 PolarHBondContact O-N 2.84Å; N333-Q335 PolarHBondContact O-N 2.78Å | ||
| 334 | T | 22.9 | Very low | 24.8 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -83.9 | 100.3 | 173.4 | -49.5 | 0 | 0 | 0 | 0 | 108 | V332 | V332-T334 PolarHBondContact O-N 2.78Š| ||
| 335 | Q | 24.2 | Very low | 25.1 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -83.6 | 112.7 | 161.7 | -85.1 | -179 | -16.8 | 0 | 0 | 108.5 | N333 I337 | N333-Q335 PolarHBondContact O-N 2.78Å; Q335-I337 PolarHBondContact O-N 2.97Å | ||
| 336 | A | 25.2 | Very low | 25.2 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 119.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 337 | I | 27.2 | Very low | 25.3 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 114.7 | 165.6 | -59.9 | 175.5 | 0 | 0 | 0 | 106.6 | Q335 | Q335-I337 PolarHBondContact O-N 2.97Š| ||
| 338 | T | 26.2 | Very low | 25.6 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | trans | -68.8 | 154 | -177.4 | 35.8 | 0 | 0 | 0 | 0 | 113.2 | T340 | T338-T340 PolarHBondContact O-N 2.95Š| ||
| 339 | E | 33.7 | Very low | 25.7 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 23.2 | -173.3 | -152.2 | 172.2 | -175.9 | 0 | 0 | 116.3 | ||
| 340 | T | 29.3 | Very low | 25.7 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -7.3 | 178.4 | 8.5 | 0 | 0 | 0 | 0 | 114.6 | T338 L342 | T338-T340 PolarHBondContact O-N 2.95Å; T340-L342 VanDerWaalsContact C-N 3.32Å |
| 341 | D | 28.7 | Very low | 25.7 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 3.8 | 176.1 | -76.3 | -28.7 | 0 | 0 | 0 | 114.2 | ||
| 342 | L | 32.4 | Very low | 25.8 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 15.6 | -179.5 | -91.4 | 159.9 | 0 | 0 | 0 | 114.9 | T340 | T340-L342 VanDerWaalsContact C-N 3.32Š|
| 343 | R | 29.1 | Very low | 25.7 | Very low | 214 Ų | 214 | 149 Ų | 149 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -117.8 | 3.7 | -176.3 | -144.3 | 174.5 | -160.3 | -173.5 | 6.4 | 118.4 | ||
| 344 | N | 26.1 | Very low | 25.8 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -115 | 17.9 | -170.3 | -89.5 | 6.7 | 0 | 0 | 0 | 119 | ||
| 345 | E | 28 | Very low | 25.8 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -132.6 | 37 | 163.8 | -74.3 | -168.4 | 156.7 | 0 | 0 | 113.7 | ||
| 346 | S | 25.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -101.2 | 54.7 | 165.7 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 347 | M | 23.4 | Very low | 25.9 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | trans | -165.1 | 69.4 | 168.2 | -133.1 | -169.2 | -169.9 | 0 | 0 | 114.3 | ||||
| 348 | I | 26.9 | Very low | 25.7 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -136.8 | 130.1 | 150.8 | -59.9 | -176.4 | 0 | 0 | 0 | 109.4 | ||||
| 349 | T | 21.9 | Very low | 25.7 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -99.5 | 139.8 | -158.5 | -43.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 350 | T | 21.2 | Very low | 25.3 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 62.7 | 134 | 148.1 | 51.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 351 | K | 21.2 | Very low | 25.1 | Very low | 196 Ų | 196 | 153.8 Ų | 153.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | 72.5 | 101.6 | 155.9 | -70.6 | 177.8 | 177.4 | 179.4 | 0 | 116.5 | ||||
| 352 | T | 23.3 | Very low | 24.9 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | -161.9 | 124.9 | 105.9 | -60.8 | 0 | 0 | 0 | 0 | 108.1 | E354 | T352-E354 PolarHBondContact O-N 2.72Š| |||
| 353 | T | 20.8 | Very low | 24.4 | Very low | 142 Ų | 142 | 151 Ų | 151 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -81 | 98.8 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 354 | E | 25.6 | Very low | 24.3 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | -130.6 | 122.2 | 155 | -79.3 | -169.6 | 161.6 | 0 | 0 | 109.2 | T352 Y356 | T352-E354 PolarHBondContact O-N 2.72Å; E354-Y356 VanDerWaalsContact C-N 3.32Å; E354-Y356 HydrophobicContact CB-CE2 4.4Å; E354-Y356 PolarHBondContact O-N 3.07Å | ||
| 355 | S | 22 | Very low | 24.1 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 81.9 | -173.7 | 165.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 356 | Y | 26.2 | Very low | 24.1 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -80.8 | 120.9 | 157.9 | -69.7 | -80.6 | 0 | 0 | 0 | 108.6 | E354 M358 | E354-Y356 VanDerWaalsContact C-N 3.32Å; E354-Y356 HydrophobicContact CB-CE2 4.4Å; E354-Y356 PolarHBondContact O-N 3.07Å; Y356-M358 PolarHBondContact O-N 3.08Å | ||
| 357 | L | 24.8 | Very low | 24.1 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -53.5 | 96.1 | -177.3 | -144.7 | 148.8 | 0 | 0 | 0 | 109.5 | I359 | L357-I359 PolarHBondContact O-N 2.87Å; L357-I359 VanDerWaalsContact O-N 3.09Å | ||
| 358 | M | 23.6 | Very low | 24 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -71.5 | 102.3 | 176.7 | -76.6 | -136.2 | -170.3 | 0 | 0 | 109.3 | Y356 S360 | Y356-M358 PolarHBondContact O-N 3.08Å; M358-S360 PolarHBondContact O-N 3.19Å | ||
| 359 | I | 26.9 | Very low | 23.9 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 107.9 | 161.8 | -59.7 | 175.7 | 0 | 0 | 0 | 106 | L357 N361 | L357-I359 PolarHBondContact O-N 2.87Å; L357-I359 VanDerWaalsContact O-N 3.09Å; I359-N361 PolarHBondContact O-N 3.09Å | ||
| 360 | S | 23.7 | Very low | 24 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -63.6 | 118.9 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | M358 V362 | M358-S360 PolarHBondContact O-N 3.19Å; S360-V362 PolarHBondContact O-N 2.74Å; S360-V362 VanDerWaalsContact O-N 3.13Å | ||
| 361 | N | 25.2 | Very low | 24 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -63 | 113.2 | 168.8 | -75.1 | -24.2 | 0 | 0 | 0 | 108.4 | I359 S363 | I359-N361 PolarHBondContact O-N 3.09Å; N361-S363 PolarHBondContact O-N 3.25Å | ||
| 362 | V | 24.4 | Very low | 24.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -63 | 105.1 | 167.7 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | S360 V364 | S360-V362 PolarHBondContact O-N 2.74Å; S360-V362 VanDerWaalsContact O-N 3.13Å; V362-V364 HydrophobicContact CG1-CG2 4.45Å; V362-V364 PolarHBondContact O-N 2.88Å | ||
| 363 | S | 23.2 | Very low | 24.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -68.9 | 99.2 | 170.7 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | N361 S365 | N361-S363 PolarHBondContact O-N 3.25Å; S363-S365 PolarHBondContact O-N 2.79Å | ||
| 364 | V | 26.2 | Very low | 24.4 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 104.2 | 162.5 | -179.9 | 0 | 0 | 0 | 0 | 107 | V362 R366 | V362-V364 HydrophobicContact CG1-CG2 4.45Å; V362-V364 PolarHBondContact O-N 2.88Å; V364-R366 PolarHBondContact O-N 2.87Å; V364-R366 VanDerWaalsContact O-N 3.09Å | ||
| 365 | S | 22.6 | Very low | 24.5 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -50.8 | 114 | 165 | -86.6 | 0 | 0 | 0 | 0 | 109 | S363 | S363-S365 PolarHBondContact O-N 2.79Š| ||
| 366 | R | 27.8 | Very low | 24.9 | Very low | 227 Ų | 227 | 150.1 Ų | 150.1 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -86.9 | 103.2 | 161.3 | -77 | -173.2 | 178.5 | 91.4 | -0.7 | 106.6 | V364 S368 | V364-R366 PolarHBondContact O-N 2.87Å; V364-R366 VanDerWaalsContact O-N 3.09Å; R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.08Å | ||
| 367 | D | 25 | Very low | 25 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 110.9 | 164.9 | -82.4 | -34.1 | 0 | 0 | 0 | 108.7 | T369 | D367-T369 PolarHBondContact O-N 3.15Š| ||
| 368 | S | 21.6 | Very low | 25.5 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -78.9 | 89.2 | 168.2 | 56.7 | 0 | 0 | 0 | 0 | 108.7 | R366 | R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.08Å | ||
| 369 | T | 24.5 | Very low | 26.1 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -150.6 | 126.9 | 154.8 | 26.1 | 0 | 0 | 0 | 0 | 112.5 | D367 | D367-T369 PolarHBondContact O-N 3.15Š| ||
| 370 | F | 24.3 | Very low | 26.5 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 100.9 | 79.6 | 148.1 | -123 | -101.8 | 0 | 0 | 0 | 119 | K372 | F370-K372 HydrophobicContact CD1-CB 4.43Å; F370-K372 HydrophobicContact CE1-CB 4.12Å; F370-K372 PolarHBondContact O-N 3.12Å | ||
| 371 | N | 19.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -44.6 | 116.6 | 131.5 | -84.5 | -29.9 | 0 | 0 | 0 | 110.7 | ||||
| 372 | K | 24.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | 171.7 | 137.1 | 125.8 | -99.8 | 173.9 | 178.9 | 178.2 | 0 | 112.9 | F370 | F370-K372 HydrophobicContact CD1-CB 4.43Å; F370-K372 HydrophobicContact CE1-CB 4.12Å; F370-K372 PolarHBondContact O-N 3.12Å | |||
| 373 | Q | 23.9 | Very low | 28.8 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | 84.1 | 117 | 143 | -119.6 | 101.6 | 17.7 | 0 | 0 | 120.7 | ||||
| 374 | K | 26.7 | Very low | 29.4 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | 98 | 125.2 | 119.1 | -135.5 | 172 | -178.4 | -178.8 | 0 | 117.7 | |||||
| 375 | E | 28.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -45 | 126.4 | 173.7 | -64.1 | 168.2 | 148.6 | 0 | 0 | 112.3 | ||||
| 376 | I | 28.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 65% | 0.651 | 70% | 0.704 | S | S | * | * | trans | -98.8 | 125.2 | 173.3 | -66.3 | 178.3 | 0 | 0 | 0 | 108.2 | I380 | I376-I380 HydrophobicContact CG2-CB 4.38Å; I376-I380 HydrophobicContact CG2-CD1 3.45Å; I376-I380 VanDerWaalsContact CG2-CD1 3.45Å; I376-I380 HydrophobicContact CG2-CG1 3.92Å | ||
| 377 | P | 28.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | trans | -66.1 | 155 | -178 | -21.8 | 33.3 | 0 | 0 | 0 | 114.9 | E379 | P377-E379 PolarHBondContact O-N 2.81Š| ||
| 378 | K | 35.2 | Very low | 31.8 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 0 | -169.7 | -70.6 | -178.6 | 175.9 | -179.8 | 0 | 117.9 | ||
| 379 | E | 37.2 | Very low | 32.3 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -17.8 | 179.9 | -159.2 | 167.9 | -179.5 | 0 | 0 | 112.8 | P377 T383 | P377-E379 PolarHBondContact O-N 2.81Å; E379-T383 PolarHBondContact O-OG1 3.05Å |
| 380 | I | 35.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 44% | 0.436 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -78.8 | -22.8 | 176.8 | -54.5 | -160.2 | 0 | 0 | 0 | 112.4 | I376 E382 T383 D384 | I376-I380 HydrophobicContact CG2-CB 4.38Å; I376-I380 HydrophobicContact CG2-CD1 3.45Å; I376-I380 VanDerWaalsContact CG2-CD1 3.45Å; I376-I380 HydrophobicContact CG2-CG1 3.92Å; I380-E382 VanDerWaalsContact C-N 3.26Å; I380-E382 PolarHBondContact O-N 2.85Å; I380-T383 PolarHBondContact O-N 2.84Å; I380-T383 PolarHBondContact O-OG1 3.19Å; I380-D384 PolarHBondContact O-N 2.87Å; I380-D384 VanDerWaalsContact O-N 3.08Å |
| 381 | V | 40.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.6 | -30.5 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 112 | L385 | V381-L385 PolarHBondContact O-N 3.28Å |
| 382 | E | 41.3 | Very low | 34.7 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 66% | 0.659 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.8 | -25.2 | 179.5 | -157.4 | 170.8 | -175.6 | 0 | 0 | 112.5 | I380 K386 | I380-E382 VanDerWaalsContact C-N 3.26Å; I380-E382 PolarHBondContact O-N 2.85Å; E382-K386 PolarHBondContact O-N 2.85Å |
| 383 | T | 38.8 | Very low | 35.7 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 49% | 0.491 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76.5 | -38.6 | 174.4 | -12.6 | 0 | 0 | 0 | 0 | 111.3 | E379 I380 K386 N387 | E379-T383 PolarHBondContact O-OG1 3.05Å; I380-T383 PolarHBondContact O-N 2.84Å; I380-T383 PolarHBondContact O-OG1 3.19Å; T383-K386 PolarHBondContact O-N 2.93Å; T383-N387 WeakPolarHBondContact O-CB 3.48Å; T383-N387 PolarHBondContact O-N 2.89Å; T383-N387 PolarHBondContact O-ND2 2.8Å |
| 384 | D | 37.7 | Very low | 36.7 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.6 | -34.9 | 177.4 | -77.1 | -26.3 | 0 | 0 | 0 | 112.8 | I380 N387 Q388 | I380-D384 PolarHBondContact O-N 2.87Å; I380-D384 VanDerWaalsContact O-N 3.08Å; D384-N387 PolarHBondContact O-N 2.89Å; D384-Q388 WeakPolarHBondContact O-CB 3.29Å; D384-Q388 PolarHBondContact O-N 2.81Å |
| 385 | L | 42.6 | Very low | 37.7 | Very low | 105 Ų | 105 | 113.9 Ų | 113.9 | 55% | 0.55 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.4 | -36.4 | 175.9 | -159.4 | 77.8 | 0 | 0 | 0 | 112 | V381 N389 | V381-L385 PolarHBondContact O-N 3.28Å; L385-N389 PolarHBondContact O-N 3.02Å; L385-N389 VanDerWaalsContact O-N 3.16Å |
| 386 | K | 35.5 | Very low | 38.9 | Very low | 147 Ų | 147 | 111.6 Ų | 111.6 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -40 | 171.7 | -85.6 | -179.1 | 178.7 | 172.2 | 0 | 111.8 | E382 T383 L390 | E382-K386 PolarHBondContact O-N 2.85Å; T383-K386 PolarHBondContact O-N 2.93Å; K386-L390 VanDerWaalsContact O-CB 3.26Å; K386-L390 WeakPolarHBondContact O-CB 3.48Å; K386-L390 PolarHBondContact O-N 3.38Å |
| 387 | N | 33 | Very low | 40 | Very low | 90 Ų | 90 | 109.2 Ų | 109.2 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -39.1 | 177.5 | -74.7 | -16.5 | 0 | 0 | 0 | 112.2 | T383 D384 L390 T391 | T383-N387 WeakPolarHBondContact O-CB 3.48Å; T383-N387 PolarHBondContact O-N 2.89Å; T383-N387 PolarHBondContact O-ND2 2.8Å; D384-N387 PolarHBondContact O-N 2.89Å; N387-L390 PolarHBondContact O-N 3.01Å; N387-T391 PolarHBondContact O-N 3.22Å; N387-T391 PolarHBondContact O-OG1 2.93Å |
| 388 | Q | 40 | Very low | 41.4 | Very low | 129 Ų | 129 | 108.3 Ų | 108.3 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.3 | -48.7 | 175.8 | -96.1 | -176.1 | -11.2 | 0 | 0 | 112.3 | D384 L390 T391 T392 | D384-Q388 WeakPolarHBondContact O-CB 3.29Å; D384-Q388 PolarHBondContact O-N 2.81Å; Q388-L390 VanDerWaalsContact C-N 3.31Å; Q388-L390 PolarHBondContact O-N 2.78Å; Q388-T391 WeakPolarHBondContact CA-OG1 3.13Å; Q388-T391 PolarHBondContact O-N 2.93Å; Q388-T391 PolarHBondContact O-OG1 2.95Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 VanDerWaalsContact O-N 3.1Å; Q388-T392 PolarHBondContact O-OG1 2.92Å; Q388-T392 VanDerWaalsContact O-OG1 3.11Å |
| 389 | N | 32 | Very low | 42.5 | Very low | 104 Ų | 104 | 104 Ų | 104 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 178 | -75.9 | -4 | 0 | 0 | 0 | 111.9 | L385 T392 E393 | L385-N389 PolarHBondContact O-N 3.02Å; L385-N389 VanDerWaalsContact O-N 3.16Å; N389-T392 WeakPolarHBondContact CA-OG1 3.23Å; N389-T392 PolarHBondContact O-N 3.18Å; N389-T392 PolarHBondContact O-OG1 2.65Å; N389-E393 WeakPolarHBondContact O-CB 3.46Å; N389-E393 PolarHBondContact O-N 2.87Å; N389-E393 VanDerWaalsContact O-N 3.11Å |
| 390 | L | 35.5 | Very low | 43.6 | Very low | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 175.1 | -169.2 | 69.3 | 0 | 0 | 0 | 112 | K386 N387 Q388 T394 | K386-L390 VanDerWaalsContact O-CB 3.26Å; K386-L390 WeakPolarHBondContact O-CB 3.48Å; K386-L390 PolarHBondContact O-N 3.38Å; N387-L390 PolarHBondContact O-N 3.01Å; Q388-L390 VanDerWaalsContact C-N 3.31Å; Q388-L390 PolarHBondContact O-N 2.78Å; L390-T394 WeakPolarHBondContact O-CB 3.35Å; L390-T394 PolarHBondContact O-N 2.76Å; L390-T394 PolarHBondContact O-OG1 2.82Å |
| 391 | T | 39.8 | Very low | 45 | Very low | 88 Ų | 88 | 105 Ų | 105 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 176.3 | 30.3 | 0 | 0 | 0 | 0 | 114 | N387 Q388 T394 A395 | N387-T391 PolarHBondContact O-N 3.22Å; N387-T391 PolarHBondContact O-OG1 2.93Å; Q388-T391 WeakPolarHBondContact CA-OG1 3.13Å; Q388-T391 PolarHBondContact O-N 2.93Å; Q388-T391 PolarHBondContact O-OG1 2.95Å; T391-T394 WeakPolarHBondContact CA-OG1 3.44Å; T391-T394 PolarHBondContact O-OG1 2.99Å; T391-A395 PolarHBondContact O-N 2.9Å; T391-A395 VanDerWaalsContact O-N 3.15Å |
| 392 | T | 43.3 | Very low | 46.1 | Very low | 87 Ų | 87 | 107.6 Ų | 107.6 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 175.6 | 35.5 | 0 | 0 | 0 | 0 | 111.6 | Q388 N389 T394 A395 E396 | Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 VanDerWaalsContact O-N 3.1Å; Q388-T392 PolarHBondContact O-OG1 2.92Å; Q388-T392 VanDerWaalsContact O-OG1 3.11Å; N389-T392 WeakPolarHBondContact CA-OG1 3.23Å; N389-T392 PolarHBondContact O-N 3.18Å; N389-T392 PolarHBondContact O-OG1 2.65Å; T392-T394 PolarHBondContact O-N 2.84Å; T392-A395 PolarHBondContact O-N 2.89Å; T392-E396 PolarHBondContact O-N 3.43Å |
| 393 | E | 46.2 | Very low | 47.2 | Very low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 177.6 | -158.9 | 172.3 | -165.6 | 0 | 0 | 111.1 | N389 A395 D397 | N389-E393 WeakPolarHBondContact O-CB 3.46Å; N389-E393 PolarHBondContact O-N 2.87Å; N389-E393 VanDerWaalsContact O-N 3.11Å; E393-A395 PolarHBondContact O-N 2.71Å; E393-D397 WeakPolarHBondContact O-CB 3.43Å; E393-D397 PolarHBondContact O-N 3.24Å |
| 394 | T | 43.9 | Very low | 48.6 | Very low | 63 Ų | 63 | 108 Ų | 108 | 39% | 0.387 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71 | -25 | 175 | 34.3 | 0 | 0 | 0 | 0 | 114.6 | L390 T391 T392 N398 | L390-T394 WeakPolarHBondContact O-CB 3.35Å; L390-T394 PolarHBondContact O-N 2.76Å; L390-T394 PolarHBondContact O-OG1 2.82Å; T391-T394 WeakPolarHBondContact CA-OG1 3.44Å; T391-T394 PolarHBondContact O-OG1 2.99Å; T392-T394 PolarHBondContact O-N 2.84Å; T394-N398 VanDerWaalsContact O-CB 3.31Å; T394-N398 WeakPolarHBondContact O-CB 3.14Å; T394-N398 PolarHBondContact O-N 2.84Å; T394-N398 VanDerWaalsContact O-N 3.09Å |
| 395 | A | 47.9 | Very low | 49.9 | Very low | 60 Ų | 60 | 109.6 Ų | 109.6 | 50% | 0.496 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.6 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | T391 T392 E393 N398 E399 | T391-A395 PolarHBondContact O-N 2.9Å; T391-A395 VanDerWaalsContact O-N 3.15Å; T392-A395 PolarHBondContact O-N 2.89Å; E393-A395 PolarHBondContact O-N 2.71Å; A395-N398 PolarHBondContact O-N 3.17Å; A395-E399 PolarHBondContact O-N 3.06Å; A395-E399 VanDerWaalsContact O-N 3.14Å |
| 396 | E | 54.4 | Low | 50.8 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 174.8 | -72.4 | -176.7 | 165.3 | 0 | 0 | 111.3 | T392 N398 E399 Q400 | T392-E396 PolarHBondContact O-N 3.43Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 3.41Å; E396-E399 PolarHBondContact O-N 3.32Å; E396-E399 VanDerWaalsContact O-N 3.11Å; E396-Q400 PolarHBondContact O-N 2.89Å |
| 397 | D | 52.1 | Low | 52.4 | Low | 77 Ų | 77 | 105.8 Ų | 105.8 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 175.4 | -100.6 | -5.4 | 0 | 0 | 0 | 112.5 | E393 E399 R401 | E393-D397 WeakPolarHBondContact O-CB 3.43Å; E393-D397 PolarHBondContact O-N 3.24Å; D397-E399 VanDerWaalsContact C-N 3.34Å; D397-R401 VanDerWaalsContact O-CB 3.29Å; D397-R401 WeakPolarHBondContact O-CB 3.23Å; D397-R401 VanDerWaalsContact O-CG 3.26Å; D397-R401 WeakPolarHBondContact O-CG 3.41Å; D397-R401 PolarHBondContact O-N 2.78Å |
| 398 | N | 56.8 | Low | 54.2 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -33.7 | 176.4 | -96.8 | -7.3 | 0 | 0 | 0 | 112.6 | T394 A395 E396 R401 K402 | T394-N398 VanDerWaalsContact O-CB 3.31Å; T394-N398 WeakPolarHBondContact O-CB 3.14Å; T394-N398 PolarHBondContact O-N 2.84Å; T394-N398 VanDerWaalsContact O-N 3.09Å; A395-N398 PolarHBondContact O-N 3.17Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 3.41Å; N398-R401 PolarHBondContact OD1-NH2 2.83Å; N398-K402 WeakPolarHBondContact O-CG 3.26Å; N398-K402 PolarHBondContact O-N 2.89Å; N398-K402 VanDerWaalsContact O-N 3.17Å |
| 399 | E | 58.6 | Low | 55.6 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.2 | -45 | 177.9 | -153.5 | 175.9 | -167.9 | 0 | 0 | 110.9 | L35 A395 E396 D397 R401 K402 L403 | L35-E399 WeakPolarHBondContact CD2-OE1 3.26Å; A395-E399 PolarHBondContact O-N 3.06Å; A395-E399 VanDerWaalsContact O-N 3.14Å; E396-E399 PolarHBondContact O-N 3.32Å; E396-E399 VanDerWaalsContact O-N 3.11Å; D397-E399 VanDerWaalsContact C-N 3.34Å; E399-R401 VanDerWaalsContact C-N 3.34Å; E399-R401 PolarHBondContact O-N 2.88Å; E399-K402 PolarHBondContact O-N 2.85Å; E399-L403 PolarHBondContact O-N 3.16Å |
| 400 | Q | 59.5 | Low | 57.4 | Low | 136 Ų | 136 | 104 Ų | 104 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 173.4 | -116.5 | 177.8 | -20.3 | 0 | 0 | 112.1 | E396 K402 L403 L404 | E396-Q400 PolarHBondContact O-N 2.89Å; Q400-K402 PolarHBondContact O-N 2.83Å; Q400-L403 PolarHBondContact O-N 3.45Å; Q400-L404 WeakPolarHBondContact O-CB 3.43Å; Q400-L404 PolarHBondContact O-N 2.81Å |
| 401 | R | 64.9 | Low | 58.9 | Low | 141 Ų | 141 | 103.9 Ų | 103.9 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.5 | -81 | -168.8 | -68.6 | -150.2 | 0.6 | 113.2 | D397 N398 E399 L404 Q405 | D397-R401 VanDerWaalsContact O-CB 3.29Å; D397-R401 WeakPolarHBondContact O-CB 3.23Å; D397-R401 VanDerWaalsContact O-CG 3.26Å; D397-R401 WeakPolarHBondContact O-CG 3.41Å; D397-R401 PolarHBondContact O-N 2.78Å; N398-R401 PolarHBondContact OD1-NH2 2.83Å; E399-R401 VanDerWaalsContact C-N 3.34Å; E399-R401 PolarHBondContact O-N 2.88Å; R401-L404 PolarHBondContact O-N 2.81Å; R401-Q405 WeakPolarHBondContact O-CB 3.15Å; R401-Q405 PolarHBondContact O-N 3.42Å |
| 402 | K | 64 | Low | 60.3 | Low | 159 Ų | 159 | 102.6 Ų | 102.6 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 176 | -76.9 | 176.3 | -177.5 | 175.8 | 0 | 111.6 | N398 E399 Q400 Q405 Y406 | N398-K402 WeakPolarHBondContact O-CG 3.26Å; N398-K402 PolarHBondContact O-N 2.89Å; N398-K402 VanDerWaalsContact O-N 3.17Å; E399-K402 PolarHBondContact O-N 2.85Å; Q400-K402 PolarHBondContact O-N 2.83Å; K402-Q405 PolarHBondContact O-N 3.08Å; K402-Y406 PolarHBondContact O-N 2.85Å |
| 403 | L | 65.3 | Low | 61.8 | Low | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 175.8 | -75.8 | 169 | 0 | 0 | 0 | 111.6 | E399 Q400 Q405 Y406 V407 | E399-L403 PolarHBondContact O-N 3.16Å; Q400-L403 PolarHBondContact O-N 3.45Å; L403-Q405 VanDerWaalsContact C-N 3.34Å; L403-Q405 PolarHBondContact O-N 3.31Å; L403-Y406 WeakPolarHBondContact O-CB 3.47Å; L403-Y406 PolarHBondContact O-N 2.84Å; L403-V407 WeakPolarHBondContact O-CG2 3.39Å; L403-V407 PolarHBondContact O-N 2.79Å |
| 404 | L | 68.5 | Low | 63 | Low | 115 Ų | 115 | 102.2 Ų | 102.2 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 178.1 | -166.3 | 71 | 0 | 0 | 0 | 110.9 | Q400 R401 Y406 V407 H408 | Q400-L404 WeakPolarHBondContact O-CB 3.43Å; Q400-L404 PolarHBondContact O-N 2.81Å; R401-L404 PolarHBondContact O-N 2.81Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 2.91Å; L404-V407 PolarHBondContact O-N 2.96Å; L404-H408 WeakPolarHBondContact O-CB 3.17Å; L404-H408 PolarHBondContact O-N 2.74Å |
| 405 | Q | 63.5 | Low | 64.3 | Low | 128 Ų | 128 | 104.2 Ų | 104.2 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 175.9 | -174.4 | 161 | -10.5 | 0 | 0 | 111.8 | R401 K402 L403 H408 T409 | R401-Q405 WeakPolarHBondContact O-CB 3.15Å; R401-Q405 PolarHBondContact O-N 3.42Å; K402-Q405 PolarHBondContact O-N 3.08Å; L403-Q405 VanDerWaalsContact C-N 3.34Å; L403-Q405 PolarHBondContact O-N 3.31Å; Q405-H408 PolarHBondContact O-N 2.85Å; Q405-T409 HydrophobicContact CG-CG2 4.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.33Å; Q405-T409 PolarHBondContact O-N 2.78Å; Q405-T409 PolarHBondContact O-OG1 3.38Å |
| 406 | Y | 61.7 | Low | 65.6 | Low | 83 Ų | 83 | 106.5 Ų | 106.5 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | I | π-helix | trans | -63.7 | -46.2 | 175.2 | -172.5 | -94.9 | 0 | 0 | 0 | 112.3 | K402 L403 L404 I410 M411 | K402-Y406 PolarHBondContact O-N 2.85Å; L403-Y406 WeakPolarHBondContact O-CB 3.47Å; L403-Y406 PolarHBondContact O-N 2.84Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 2.91Å; Y406-I410 HydrophobicContact CD2-CB 4.1Å; Y406-I410 HydrophobicContact CD2-CD1 3.46Å; Y406-I410 VanDerWaalsContact CD2-CD1 3.46Å; Y406-I410 HydrophobicContact CD2-CG1 4.34Å; Y406-I410 HydrophobicContact CD2-CG2 4.35Å; Y406-I410 HydrophobicContact CE2-CB 4.14Å; Y406-I410 HydrophobicContact CE2-CD1 3.86Å; Y406-I410 HydrophobicContact CE2-CG2 3.88Å; Y406-I410 HydrophobicContact CG-CD1 4.39Å; Y406-I410 PolarHBondContact O-N 2.87Å; Y406-I410 VanDerWaalsContact O-N 3.09Å; Y406-M411 PolarHBondContact O-N 3.01Å |
| 407 | V | 69.9 | Low | 66.7 | Low | 89 Ų | 89 | 108.1 Ų | 108.1 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | I | π-helix | trans | -66.6 | -37.6 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | L403 L404 P412 | L403-V407 WeakPolarHBondContact O-CG2 3.39Å; L403-V407 PolarHBondContact O-N 2.79Å; L404-V407 PolarHBondContact O-N 2.96Å; V407-P412 WeakPolarHBondContact O-CD 3.37Å |
| 408 | H | 71 | Confident | 68 | Low | 146 Ų | 146 | 108 Ų | 108 | 68% | 0.676 | 52% | 0.522 | S | S | * | . | I | π-helix | trans | -85.4 | -26.3 | -177 | -115.2 | -117.5 | 0 | 0 | 0 | 114.6 | L404 Q405 P412 | L404-H408 WeakPolarHBondContact O-CB 3.17Å; L404-H408 PolarHBondContact O-N 2.74Å; Q405-H408 PolarHBondContact O-N 2.85Å; H408-P412 WeakPolarHBondContact O-CG 3.27Å |
| 409 | T | 68.9 | Low | 69 | Low | 63 Ų | 63 | 107.2 Ų | 107.2 | 39% | 0.387 | 52% | 0.52 | S | S | . | . | I | π-helix | trans | -110.9 | -44.8 | -174.4 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | Q405 L413 | Q405-T409 HydrophobicContact CG-CG2 4.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.33Å; Q405-T409 PolarHBondContact O-N 2.78Å; Q405-T409 PolarHBondContact O-OG1 3.38Å; T409-L413 VanDerWaalsContact O-CD1 3.31Å; T409-L413 WeakPolarHBondContact O-CD1 3.22Å; T409-L413 WeakPolarHBondContact O-CG 3.46Å |
| 410 | I | 68.8 | Low | 70 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 40% | 0.395 | 52% | 0.515 | S | S | . | . | I | π-helix | trans | -87.8 | -41.7 | -170.1 | -64.9 | 164.7 | 0 | 0 | 0 | 111.3 | Y406 L413 F414 | Y406-I410 HydrophobicContact CD2-CB 4.1Å; Y406-I410 HydrophobicContact CD2-CD1 3.46Å; Y406-I410 VanDerWaalsContact CD2-CD1 3.46Å; Y406-I410 HydrophobicContact CD2-CG1 4.34Å; Y406-I410 HydrophobicContact CD2-CG2 4.35Å; Y406-I410 HydrophobicContact CE2-CB 4.14Å; Y406-I410 HydrophobicContact CE2-CD1 3.86Å; Y406-I410 HydrophobicContact CE2-CG2 3.88Å; Y406-I410 HydrophobicContact CG-CD1 4.39Å; Y406-I410 PolarHBondContact O-N 2.87Å; Y406-I410 VanDerWaalsContact O-N 3.09Å; I410-L413 PolarHBondContact O-N 2.88Å; I410-F414 WeakPolarHBondContact O-CB 3.4Å; I410-F414 PolarHBondContact O-N 3.45Å |
| 411 | M | 68.7 | Low | 71 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 174.7 | -92.3 | -71 | 178.3 | 0 | 0 | 114 | Y406 L413 F414 L415 | Y406-M411 PolarHBondContact O-N 3.01Å; M411-L413 PolarHBondContact O-N 2.83Å; M411-F414 PolarHBondContact O-N 2.8Å; M411-L415 WeakPolarHBondContact O-CG 3.35Å; M411-L415 PolarHBondContact O-N 3.3Å |
| 412 | P | 68 | Low | 71.9 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 177.6 | 20.2 | -27.7 | 0 | 0 | 0 | 113 | V407 H408 F414 L416 | V407-P412 WeakPolarHBondContact O-CD 3.37Å; H408-P412 WeakPolarHBondContact O-CG 3.27Å; P412-F414 VanDerWaalsContact C-N 3.32Å; P412-F414 PolarHBondContact O-N 3.33Å; P412-L416 VanDerWaalsContact O-CB 3.26Å; P412-L416 WeakPolarHBondContact O-CB 3.18Å; P412-L416 PolarHBondContact O-N 2.92Å |
| 413 | L | 75.2 | Confident | 72.8 | Confident | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 171.9 | -83.4 | 166.5 | 0 | 0 | 0 | 111.3 | T409 I410 M411 L416 Y417 | T409-L413 VanDerWaalsContact O-CD1 3.31Å; T409-L413 WeakPolarHBondContact O-CD1 3.22Å; T409-L413 WeakPolarHBondContact O-CG 3.46Å; I410-L413 PolarHBondContact O-N 2.88Å; M411-L413 PolarHBondContact O-N 2.83Å; L413-L416 PolarHBondContact O-N 3.22Å; L413-Y417 HydrophobicContact CD2-CD2 4.3Å; L413-Y417 HydrophobicContact CD2-CE2 4.05Å; L413-Y417 WeakPolarHBondContact O-CB 3.37Å; L413-Y417 WeakPolarHBondContact O-CD2 3.45Å; L413-Y417 PolarHBondContact O-N 3.36Å |
| 414 | F | 70.7 | Confident | 73.8 | Confident | 115 Ų | 115 | 93.4 Ų | 93.4 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 179.9 | -148.1 | -102.5 | 0 | 0 | 0 | 112.2 | I410 M411 P412 L416 Y417 I418 | I410-F414 WeakPolarHBondContact O-CB 3.4Å; I410-F414 PolarHBondContact O-N 3.45Å; M411-F414 PolarHBondContact O-N 2.8Å; P412-F414 VanDerWaalsContact C-N 3.32Å; P412-F414 PolarHBondContact O-N 3.33Å; F414-L416 VanDerWaalsContact C-N 3.34Å; F414-Y417 PolarHBondContact O-N 3.3Å; F414-I418 HydrophobicContact CD1-CD1 3.77Å; F414-I418 HydrophobicContact CD1-CG1 4.5Å; F414-I418 HydrophobicContact CD2-CD1 4.38Å; F414-I418 HydrophobicContact CE1-CD1 3.28Å; F414-I418 HydrophobicContact CE1-CG1 4.42Å; F414-I418 HydrophobicContact CE2-CD1 3.95Å; F414-I418 HydrophobicContact CG-CD1 4.31Å; F414-I418 HydrophobicContact CZ-CD1 3.38Å; F414-I418 WeakPolarHBondContact O-CB 3.42Å; F414-I418 PolarHBondContact O-N 2.92Å |
| 415 | L | 72.1 | Confident | 74.5 | Confident | 104 Ų | 104 | 91 Ų | 91 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -61.2 | -43.7 | 172.5 | -71.4 | 170.5 | 0 | 0 | 0 | 111 | M411 V419 | M411-L415 WeakPolarHBondContact O-CG 3.35Å; M411-L415 PolarHBondContact O-N 3.3Å; L415-V419 HydrophobicContact CD2-CG2 3.78Å; L415-V419 WeakPolarHBondContact O-CA 3.43Å; L415-V419 WeakPolarHBondContact O-CB 3.33Å; L415-V419 PolarHBondContact O-N 3.36Å |
| 416 | L | 76 | Confident | 75.4 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | I | π-helix | trans | -68.6 | -35.6 | 179.2 | -168.7 | 70.9 | 0 | 0 | 0 | 112.9 | P412 L413 F414 T420 | P412-L416 VanDerWaalsContact O-CB 3.26Å; P412-L416 WeakPolarHBondContact O-CB 3.18Å; P412-L416 PolarHBondContact O-N 2.92Å; L413-L416 PolarHBondContact O-N 3.22Å; F414-L416 VanDerWaalsContact C-N 3.34Å; L416-T420 VanDerWaalsContact C-OG1 3.25Å; L416-T420 WeakPolarHBondContact CA-OG1 3.2Å; L416-T420 WeakPolarHBondContact O-CB 3.48Å; L416-T420 PolarHBondContact O-OG1 3.07Å |
| 417 | Y | 77.4 | Confident | 76.5 | Confident | 175 Ų | 175 | 90.8 Ų | 90.8 | 69% | 0.686 | 48% | 0.479 | S | S | * | . | I | π-helix | trans | -86.8 | -25.6 | -177.3 | -90.1 | -83.2 | 0 | 0 | 0 | 114.4 | L413 F414 P421 | L413-Y417 HydrophobicContact CD2-CD2 4.3Å; L413-Y417 HydrophobicContact CD2-CE2 4.05Å; L413-Y417 WeakPolarHBondContact O-CB 3.37Å; L413-Y417 WeakPolarHBondContact O-CD2 3.45Å; L413-Y417 PolarHBondContact O-N 3.36Å; F414-Y417 PolarHBondContact O-N 3.3Å; Y417-P421 WeakPolarHBondContact O-CD 3.42Å; Y417-P421 WeakPolarHBondContact O-CG 3.26Å |
| 418 | I | 78.9 | Confident | 77.3 | Confident | 75 Ų | 75 | 90.8 Ų | 90.8 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | I | π-helix | trans | -104.4 | -45.9 | -178.8 | -59.1 | -172.5 | 0 | 0 | 0 | 111.8 | F414 P421 I422 | F414-I418 HydrophobicContact CD1-CD1 3.77Å; F414-I418 HydrophobicContact CD1-CG1 4.5Å; F414-I418 HydrophobicContact CD2-CD1 4.38Å; F414-I418 HydrophobicContact CE1-CD1 3.28Å; F414-I418 HydrophobicContact CE1-CG1 4.42Å; F414-I418 HydrophobicContact CE2-CD1 3.95Å; F414-I418 HydrophobicContact CG-CD1 4.31Å; F414-I418 HydrophobicContact CZ-CD1 3.38Å; F414-I418 WeakPolarHBondContact O-CB 3.42Å; F414-I418 PolarHBondContact O-N 2.92Å; I418-P421 WeakPolarHBondContact O-CD 3.38Å; I418-I422 HydrophobicContact CG2-CD1 3.84Å; I418-I422 WeakPolarHBondContact O-CD1 3.44Å; I418-I422 VanDerWaalsContact O-CG1 3.23Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.04Å |
| 419 | V | 78.4 | Confident | 77.9 | Confident | 67 Ų | 67 | 88 Ų | 88 | 41% | 0.406 | 47% | 0.468 | S | S | . | . | I | π-helix | trans | -72 | -39.9 | -175.5 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | L415 I422 V423 | L415-V419 HydrophobicContact CD2-CG2 3.78Å; L415-V419 WeakPolarHBondContact O-CA 3.43Å; L415-V419 WeakPolarHBondContact O-CB 3.33Å; L415-V419 PolarHBondContact O-N 3.36Å; V419-I422 PolarHBondContact O-N 2.92Å; V419-V423 HydrophobicContact CG1-CG2 3.95Å; V419-V423 WeakPolarHBondContact O-CB 3.44Å; V419-V423 VanDerWaalsContact O-CG2 3.29Å; V419-V423 WeakPolarHBondContact O-CG2 3.37Å; V419-V423 PolarHBondContact O-N 3.26Å |
| 420 | T | 78.4 | Confident | 78.4 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 36% | 0.362 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | -177.2 | -29.2 | 0 | 0 | 0 | 0 | 112.7 | L416 I422 V423 V424 | L416-T420 VanDerWaalsContact C-OG1 3.25Å; L416-T420 WeakPolarHBondContact CA-OG1 3.2Å; L416-T420 WeakPolarHBondContact O-CB 3.48Å; L416-T420 PolarHBondContact O-OG1 3.07Å; T420-I422 VanDerWaalsContact C-N 3.32Å; T420-I422 PolarHBondContact O-N 2.95Å; T420-V423 PolarHBondContact O-N 3.21Å; T420-V424 WeakPolarHBondContact O-CB 3.42Å; T420-V424 WeakPolarHBondContact O-CG2 3.38Å; T420-V424 PolarHBondContact O-N 3.38Å |
| 421 | P | 81.4 | Confident | 79.1 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 174.9 | -25.4 | 36.7 | 0 | 0 | 0 | 113.7 | Y417 I418 S425 | Y417-P421 WeakPolarHBondContact O-CD 3.42Å; Y417-P421 WeakPolarHBondContact O-CG 3.26Å; I418-P421 WeakPolarHBondContact O-CD 3.38Å; P421-S425 VanDerWaalsContact O-CB 3.27Å; P421-S425 WeakPolarHBondContact O-CB 3.35Å; P421-S425 PolarHBondContact O-N 3.49Å |
| 422 | I | 82.7 | Confident | 79.7 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 41% | 0.405 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 176.2 | -69.6 | 171.3 | 0 | 0 | 0 | 110 | I418 V419 T420 V424 S425 F426 | I418-I422 HydrophobicContact CG2-CD1 3.84Å; I418-I422 WeakPolarHBondContact O-CD1 3.44Å; I418-I422 VanDerWaalsContact O-CG1 3.23Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.04Å; V419-I422 PolarHBondContact O-N 2.92Å; T420-I422 VanDerWaalsContact C-N 3.32Å; T420-I422 PolarHBondContact O-N 2.95Å; I422-V424 PolarHBondContact O-N 2.84Å; I422-S425 WeakPolarHBondContact O-CB 3.46Å; I422-S425 PolarHBondContact O-N 3.01Å; I422-F426 HydrophobicContact CG2-CD2 3.69Å; I422-F426 HydrophobicContact CG2-CE2 3.45Å; I422-F426 VanDerWaalsContact CG2-CE2 3.45Å; I422-F426 WeakPolarHBondContact O-CD2 3.45Å; I422-F426 PolarHBondContact O-N 2.88Å |
| 423 | V | 83.7 | Confident | 80.3 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 42% | 0.418 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V419 T420 S425 F426 I427 | V419-V423 HydrophobicContact CG1-CG2 3.95Å; V419-V423 WeakPolarHBondContact O-CB 3.44Å; V419-V423 VanDerWaalsContact O-CG2 3.29Å; V419-V423 WeakPolarHBondContact O-CG2 3.37Å; V419-V423 PolarHBondContact O-N 3.26Å; T420-V423 PolarHBondContact O-N 3.21Å; V423-S425 VanDerWaalsContact C-N 3.34Å; V423-S425 PolarHBondContact O-N 3.21Å; V423-F426 PolarHBondContact O-N 2.6Å; V423-I427 HydrophobicContact CG1-CD1 3.81Å; V423-I427 HydrophobicContact CG1-CG1 4.42Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 2.97Å; V423-I427 PolarHBondContact O-N 2.9Å |
| 424 | V | 85.8 | Confident | 80.6 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | T420 I422 F426 I427 V428 | T420-V424 WeakPolarHBondContact O-CB 3.42Å; T420-V424 WeakPolarHBondContact O-CG2 3.38Å; T420-V424 PolarHBondContact O-N 3.38Å; I422-V424 PolarHBondContact O-N 2.84Å; V424-F426 PolarHBondContact O-N 2.98Å; V424-I427 PolarHBondContact O-N 3.43Å; V424-V428 HydrophobicContact CG1-CG2 4.28Å; V424-V428 VanDerWaalsContact O-CG2 3.27Å; V424-V428 WeakPolarHBondContact O-CG2 3.13Å; V424-V428 PolarHBondContact O-N 3.06Å |
| 425 | S | 83.1 | Confident | 81.2 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | P421 I422 V423 I427 V428 I429 | P421-S425 VanDerWaalsContact O-CB 3.27Å; P421-S425 WeakPolarHBondContact O-CB 3.35Å; P421-S425 PolarHBondContact O-N 3.49Å; I422-S425 WeakPolarHBondContact O-CB 3.46Å; I422-S425 PolarHBondContact O-N 3.01Å; V423-S425 VanDerWaalsContact C-N 3.34Å; V423-S425 PolarHBondContact O-N 3.21Å; S425-I427 PolarHBondContact O-N 2.92Å; S425-V428 PolarHBondContact O-N 2.78Å; S425-I429 WeakPolarHBondContact O-CB 3.45Å; S425-I429 WeakPolarHBondContact O-CD1 3.24Å; S425-I429 WeakPolarHBondContact O-CG1 3.44Å; S425-I429 PolarHBondContact O-N 2.99Å |
| 426 | F | 82.7 | Confident | 81.6 | Confident | 99 Ų | 99 | 85 Ų | 85 | 43% | 0.434 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.1 | -80.4 | -61.9 | 0 | 0 | 0 | 113.2 | F5 I422 V423 V424 G430 | F5-F426 AromaticContact CE1-CE1 3.87Å; F5-F426 HydrophobicContact CE1-CE1 3.87Å; F5-F426 AromaticContact CZ-CE1 3.72Å; F5-F426 HydrophobicContact CZ-CE1 3.72Å; F5-F426 HydrophobicContact CZ-CZ 4.45Å; I422-F426 HydrophobicContact CG2-CD2 3.69Å; I422-F426 HydrophobicContact CG2-CE2 3.45Å; I422-F426 VanDerWaalsContact CG2-CE2 3.45Å; I422-F426 WeakPolarHBondContact O-CD2 3.45Å; I422-F426 PolarHBondContact O-N 2.88Å; V423-F426 PolarHBondContact O-N 2.6Å; V424-F426 PolarHBondContact O-N 2.98Å; F426-G430 PolarHBondContact O-N 3.38Å |
| 427 | I | 85.7 | Confident | 81.6 | Confident | 108 Ų | 108 | 84.2 Ų | 84.2 | 55% | 0.554 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 176.9 | -68.2 | 168 | 0 | 0 | 0 | 110.7 | V423 V424 S425 G430 S431 | V423-I427 HydrophobicContact CG1-CD1 3.81Å; V423-I427 HydrophobicContact CG1-CG1 4.42Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 2.97Å; V423-I427 PolarHBondContact O-N 2.9Å; V424-I427 PolarHBondContact O-N 3.43Å; S425-I427 PolarHBondContact O-N 2.92Å; I427-G430 PolarHBondContact O-N 3.37Å; I427-S431 WeakPolarHBondContact O-CB 3.44Å; I427-S431 PolarHBondContact O-N 2.87Å; I427-S431 PolarHBondContact O-OG 2.81Å |
| 428 | V | 86 | Confident | 81.8 | Confident | 90 Ų | 90 | 83.1 Ų | 83.1 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | V424 S425 S431 G432 | V424-V428 HydrophobicContact CG1-CG2 4.28Å; V424-V428 VanDerWaalsContact O-CG2 3.27Å; V424-V428 WeakPolarHBondContact O-CG2 3.13Å; V424-V428 PolarHBondContact O-N 3.06Å; S425-V428 PolarHBondContact O-N 2.78Å; V428-S431 PolarHBondContact O-N 3.4Å; V428-S431 PolarHBondContact O-OG 2.86Å; V428-G432 PolarHBondContact O-N 2.75Å |
| 429 | I | 83.5 | Confident | 81.8 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 176.7 | -66 | 164.9 | 0 | 0 | 0 | 110.7 | S425 S431 G432 C433 | S425-I429 WeakPolarHBondContact O-CB 3.45Å; S425-I429 WeakPolarHBondContact O-CD1 3.24Å; S425-I429 WeakPolarHBondContact O-CG1 3.44Å; S425-I429 PolarHBondContact O-N 2.99Å; I429-S431 PolarHBondContact O-N 3.27Å; I429-G432 PolarHBondContact O-N 2.95Å; I429-C433 PolarHBondContact O-N 2.79Å; I429-C433 PolarHBondContact O-SG 3Å; I429-C433 VanDerWaalsContact O-SG 3.42Å |
| 430 | G | 79.6 | Confident | 81.9 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F426 I427 C433 I434 | F426-G430 PolarHBondContact O-N 3.38Å; I427-G430 PolarHBondContact O-N 3.37Å; G430-C433 PolarHBondContact O-N 2.8Å; G430-I434 VanDerWaalsContact O-CG1 3.29Å; G430-I434 WeakPolarHBondContact O-CG1 3.28Å; G430-I434 PolarHBondContact O-N 3.32Å |
| 431 | S | 83.6 | Confident | 81.8 | Confident | 54 Ų | 54 | 94 Ų | 94 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 177.5 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | I427 V428 I429 I434 L435 | I427-S431 WeakPolarHBondContact O-CB 3.44Å; I427-S431 PolarHBondContact O-N 2.87Å; I427-S431 PolarHBondContact O-OG 2.81Å; V428-S431 PolarHBondContact O-N 3.4Å; V428-S431 PolarHBondContact O-OG 2.86Å; I429-S431 PolarHBondContact O-N 3.27Å; S431-I434 PolarHBondContact O-N 3.39Å; S431-L435 WeakPolarHBondContact O-CB 3.34Å; S431-L435 WeakPolarHBondContact O-CG 3.37Å; S431-L435 PolarHBondContact O-N 3.49Å |
| 432 | G | 81.4 | Confident | 81.7 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V428 I429 L435 F436 | V428-G432 PolarHBondContact O-N 2.75Å; I429-G432 PolarHBondContact O-N 2.95Å; G432-L435 PolarHBondContact O-N 2.96Å; G432-F436 VanDerWaalsContact O-CB 3.32Å; G432-F436 WeakPolarHBondContact O-CB 3.43Å; G432-F436 PolarHBondContact O-N 3.24Å |
| 433 | C | 80.7 | Confident | 81.3 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.5 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | I429 G430 F436 L437 | I429-C433 PolarHBondContact O-N 2.79Å; I429-C433 PolarHBondContact O-SG 3Å; I429-C433 VanDerWaalsContact O-SG 3.42Å; G430-C433 PolarHBondContact O-N 2.8Å; C433-F436 PolarHBondContact O-N 2.84Å; C433-L437 WeakPolarHBondContact O-CB 3.29Å; C433-L437 VanDerWaalsContact O-CG 3.24Å; C433-L437 WeakPolarHBondContact O-CG 3.28Å; C433-L437 PolarHBondContact O-N 2.86Å |
| 434 | I | 81.9 | Confident | 80.6 | Confident | 118 Ų | 118 | 103.9 Ų | 103.9 | 61% | 0.605 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -45 | 178.1 | -67.8 | 165.7 | 0 | 0 | 0 | 110.7 | G430 S431 F436 L437 W438 | G430-I434 VanDerWaalsContact O-CG1 3.29Å; G430-I434 WeakPolarHBondContact O-CG1 3.28Å; G430-I434 PolarHBondContact O-N 3.32Å; S431-I434 PolarHBondContact O-N 3.39Å; I434-F436 VanDerWaalsContact C-N 3.34Å; I434-F436 PolarHBondContact O-N 3.05Å; I434-L437 PolarHBondContact O-N 2.99Å; I434-W438 WeakPolarHBondContact O-CB 2.84Å; I434-W438 PolarHBondContact O-N 3.03Å |
| 435 | L | 81.4 | Confident | 79.6 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.9 | -79.6 | 164.6 | 0 | 0 | 0 | 111.6 | S431 G432 W438 L439 | S431-L435 WeakPolarHBondContact O-CB 3.34Å; S431-L435 WeakPolarHBondContact O-CG 3.37Å; S431-L435 PolarHBondContact O-N 3.49Å; G432-L435 PolarHBondContact O-N 2.96Å; L435-W438 PolarHBondContact O-N 3.1Å; L435-L439 WeakPolarHBondContact O-CG 3.46Å; L435-L439 PolarHBondContact O-N 2.93Å |
| 436 | F | 80.5 | Confident | 78.5 | Confident | 142 Ų | 142 | 110 Ų | 110 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 176.2 | -174.7 | -96.6 | 0 | 0 | 0 | 111.9 | G432 C433 I434 W438 L439 Y440 | G432-F436 VanDerWaalsContact O-CB 3.32Å; G432-F436 WeakPolarHBondContact O-CB 3.43Å; G432-F436 PolarHBondContact O-N 3.24Å; C433-F436 PolarHBondContact O-N 2.84Å; I434-F436 VanDerWaalsContact C-N 3.34Å; I434-F436 PolarHBondContact O-N 3.05Å; F436-W438 VanDerWaalsContact C-N 3.32Å; F436-W438 PolarHBondContact O-N 2.96Å; F436-L439 PolarHBondContact O-N 3.46Å; F436-Y440 WeakPolarHBondContact O-CB 3.42Å; F436-Y440 PolarHBondContact O-N 3.43Å |
| 437 | L | 76.9 | Confident | 76.9 | Confident | 92 Ų | 92 | 117 Ų | 117 | 48% | 0.482 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 175.7 | -74.3 | 169.8 | 0 | 0 | 0 | 112.3 | C433 I434 Y440 R441 | C433-L437 WeakPolarHBondContact O-CB 3.29Å; C433-L437 VanDerWaalsContact O-CG 3.24Å; C433-L437 WeakPolarHBondContact O-CG 3.28Å; C433-L437 PolarHBondContact O-N 2.86Å; I434-L437 PolarHBondContact O-N 2.99Å; L437-Y440 PolarHBondContact O-N 3.27Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 2.92Å |
| 438 | W | 81.1 | Confident | 76.4 | Confident | 153 Ų | 153 | 117.4 Ų | 117.4 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.6 | -44 | 177.4 | -170 | 79.6 | 0 | 0 | 0 | 111.5 | I434 L435 F436 R442 | I434-W438 WeakPolarHBondContact O-CB 2.84Å; I434-W438 PolarHBondContact O-N 3.03Å; L435-W438 PolarHBondContact O-N 3.1Å; F436-W438 VanDerWaalsContact C-N 3.32Å; F436-W438 PolarHBondContact O-N 2.96Å; W438-R442 WeakPolarHBondContact O-CB 3.41Å; W438-R442 PolarHBondContact O-N 2.66Å; W438-R442 VanDerWaalsContact O-N 3.08Å |
| 439 | L | 80.1 | Confident | 75.9 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 175.1 | -70.4 | 173.7 | 0 | 0 | 0 | 112.5 | L435 F436 R442 K443 | L435-L439 WeakPolarHBondContact O-CG 3.46Å; L435-L439 PolarHBondContact O-N 2.93Å; F436-L439 PolarHBondContact O-N 3.46Å; L439-R442 PolarHBondContact O-N 3.18Å; L439-K443 PolarHBondContact O-N 3.35Å |
| 440 | Y | 79.4 | Confident | 75.5 | Confident | 137 Ų | 137 | 120.7 Ų | 120.7 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -48.5 | 177.7 | -171.8 | -88 | 0 | 0 | 0 | 111.6 | F436 L437 R442 K443 E444 | F436-Y440 WeakPolarHBondContact O-CB 3.42Å; F436-Y440 PolarHBondContact O-N 3.43Å; L437-Y440 PolarHBondContact O-N 3.27Å; Y440-R442 PolarHBondContact O-N 2.57Å; Y440-K443 PolarHBondContact O-N 3.44Å; Y440-K443 VanDerWaalsContact O-N 3.11Å; Y440-E444 PolarHBondContact O-N 3.37Å |
| 441 | R | 77.5 | Confident | 75.3 | Confident | 189 Ų | 189 | 126 Ų | 126 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60 | -34.3 | 175.3 | -83.8 | -174.5 | 169.5 | -178.2 | -3 | 112.8 | L437 K443 E444 | L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 2.92Å; R441-K443 VanDerWaalsContact C-N 3.33Å; R441-E444 PolarHBondContact O-N 3.14Å |
| 442 | R | 78.1 | Confident | 74.7 | Confident | 148 Ų | 148 | 130.5 Ų | 130.5 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -37.1 | 177.1 | -167.3 | 173.3 | -177.8 | 171.6 | 0.5 | 111.8 | W438 L439 Y440 N445 | W438-R442 WeakPolarHBondContact O-CB 3.41Å; W438-R442 PolarHBondContact O-N 2.66Å; W438-R442 VanDerWaalsContact O-N 3.08Å; L439-R442 PolarHBondContact O-N 3.18Å; Y440-R442 PolarHBondContact O-N 2.57Å; R442-N445 PolarHBondContact O-N 2.81Å |
| 443 | K | 74.6 | Confident | 74.3 | Confident | 157 Ų | 157 | 136.8 Ų | 136.8 | 68% | 0.683 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.5 | -26.6 | -179.8 | -156.4 | 176.7 | -176.6 | -177.9 | 0 | 113.3 | L439 Y440 R441 | L439-K443 PolarHBondContact O-N 3.35Å; Y440-K443 PolarHBondContact O-N 3.44Å; Y440-K443 VanDerWaalsContact O-N 3.11Å; R441-K443 VanDerWaalsContact C-N 3.33Å |
| 444 | E | 68.8 | Low | 73.8 | Confident | 124 Ų | 124 | 141.9 Ų | 141.9 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.5 | -20.2 | 177.8 | -157 | 169.8 | -157.1 | 0 | 0 | 112.8 | Y440 R441 | Y440-E444 PolarHBondContact O-N 3.37Å; R441-E444 PolarHBondContact O-N 3.14Å |
| 445 | N | 64.1 | Low | 73.2 | Confident | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -7.3 | 174.8 | -73.1 | -7.2 | 0 | 0 | 0 | 113.9 | R442 | R442-N445 PolarHBondContact O-N 2.81Š|
| 446 | D | 60.5 | Low | 72.5 | Confident | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 12.5 | 178.7 | -76 | -21.8 | 0 | 0 | 0 | 112.6 | ||
| 447 | F | 48.8 | Very low | 71.8 | Confident | 246 Ų | 246 | 147.4 Ų | 147.4 | 100% | 1.079 | 66% | 0.655 | S | S | * | * | trans | -124 | 0 | 168 | -97.1 | -83.9 | 0 | 0 | 0 | 109.4 |
Retrieved 447 of 447 residues in 762.7 ms
(Link to these results)