| 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 | R | 58.7 | Low | 60.4 | Low | 267 Ų | 267 | 132.6 Ų | 132.6 | 100% | 1.008 | 64% | 0.635 | S | S | * | * | 0 | -44.9 | 0 | -152.6 | 172.5 | -175 | 176.8 | 0.3 | 111.9 | K4 L5 | R1-K4 PolarHBondContact O-N 3.17Å; R1-L5 PolarHBondContact O-N 3.38Å | |||
| 2 | S | 60.7 | Low | 59.8 | Low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.9 | -42.4 | 179 | 54.2 | 0 | 0 | 0 | 0 | 115.7 | K4 L5 L6 | S2-K4 VanDerWaalsContact C-N 3.33Å; S2-K4 PolarHBondContact O-N 2.81Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-L6 PolarHBondContact O-N 3.34Å |
| 3 | R | 60.6 | Low | 59 | Low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.6 | -34.5 | 178.9 | -77.2 | -177.6 | 162.6 | -173.1 | -5.3 | 114.2 | M7 | R3-M7 WeakPolarHBondContact O-CB 3.36Å; R3-M7 WeakPolarHBondContact O-CG 3.46Å; R3-M7 PolarHBondContact O-N 2.78Å |
| 4 | K | 60.8 | Low | 58.2 | Low | 172 Ų | 172 | 133.5 Ų | 133.5 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.4 | -37.9 | 175.3 | -70.6 | -168.6 | 176 | -172.6 | 0 | 111 | R1 S2 M8 | R1-K4 PolarHBondContact O-N 3.17Å; S2-K4 VanDerWaalsContact C-N 3.33Å; S2-K4 PolarHBondContact O-N 2.81Å; K4-M8 WeakPolarHBondContact O-CB 3.43Å; K4-M8 WeakPolarHBondContact O-CG 3.3Å; K4-M8 PolarHBondContact O-N 3.38Å |
| 5 | L | 62.9 | Low | 57.4 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.9 | -44.1 | 173.9 | -121.2 | 91.5 | 0 | 0 | 0 | 111.6 | R1 S2 M7 M8 V9 | R1-L5 PolarHBondContact O-N 3.38Å; S2-L5 PolarHBondContact O-N 3.35Å; L5-M7 PolarHBondContact O-N 3.45Å; L5-M8 PolarHBondContact O-N 3.06Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.48Å |
| 6 | L | 63.8 | Low | 56.7 | Low | 120 Ų | 120 | 130.8 Ų | 130.8 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -42.2 | 179 | -156.4 | 91.5 | 0 | 0 | 0 | 111.6 | S2 V9 V10 | S2-L6 PolarHBondContact O-N 3.34Å; L6-V9 PolarHBondContact O-N 3.1Å; L6-V10 WeakPolarHBondContact O-CB 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 2.92Å; L6-V10 PolarHBondContact O-N 3.37Å |
| 7 | M | 62.1 | Low | 56 | Low | 118 Ų | 118 | 126.2 Ų | 126.2 | 58% | 0.581 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.2 | -37.8 | 174.5 | -81.1 | -76.6 | 142.2 | 0 | 0 | 112.4 | R3 L5 V10 L11 | R3-M7 WeakPolarHBondContact O-CB 3.36Å; R3-M7 WeakPolarHBondContact O-CG 3.46Å; R3-M7 PolarHBondContact O-N 2.78Å; L5-M7 PolarHBondContact O-N 3.45Å; M7-V10 PolarHBondContact O-N 3.03Å; M7-L11 VanDerWaalsContact O-CB 3.24Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 WeakPolarHBondContact O-CD1 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.23Å; M7-L11 WeakPolarHBondContact O-CG 3.35Å; M7-L11 PolarHBondContact O-N 3.2Å |
| 8 | M | 59.5 | Low | 55.7 | Low | 121 Ų | 121 | 125.1 Ų | 125.1 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.8 | -37.4 | 176 | -66.8 | -71.8 | -91.4 | 0 | 0 | 111.9 | K4 L5 L11 L12 | K4-M8 WeakPolarHBondContact O-CB 3.43Å; K4-M8 WeakPolarHBondContact O-CG 3.3Å; K4-M8 PolarHBondContact O-N 3.38Å; L5-M8 PolarHBondContact O-N 3.06Å; M8-L11 PolarHBondContact O-N 3.25Å; M8-L12 VanDerWaalsContact O-CB 3.28Å; M8-L12 WeakPolarHBondContact O-CB 3.43Å; M8-L12 WeakPolarHBondContact O-CD1 3.31Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.3Å; M8-L12 PolarHBondContact O-N 3.27Å |
| 9 | V | 59.7 | Low | 55.7 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 45% | 0.448 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.7 | -45.1 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | L5 L6 L11 L12 E13 | L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.48Å; L6-V9 PolarHBondContact O-N 3.1Å; V9-L11 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.5Å; V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CB 3.33Å; V9-E13 WeakPolarHBondContact O-CG 3.44Å; V9-E13 PolarHBondContact O-N 2.91Å |
| 10 | V | 59.4 | Low | 56.5 | Low | 59 Ų | 59 | 130.1 Ų | 130.1 | 36% | 0.358 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111 | L6 M7 E13 F14 | L6-V10 WeakPolarHBondContact O-CB 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 2.92Å; L6-V10 PolarHBondContact O-N 3.37Å; M7-V10 PolarHBondContact O-N 3.03Å; V10-E13 PolarHBondContact O-N 3.04Å; V10-F14 HydrophobicContact CG1-CD2 3.64Å; V10-F14 HydrophobicContact CG1-CE2 3.8Å; V10-F14 WeakPolarHBondContact O-CB 3.25Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.34Å; V10-F14 PolarHBondContact O-N 3.45Å |
| 11 | L | 56.1 | Low | 58 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.3 | -38.4 | 174.9 | -79.2 | 159 | 0 | 0 | 0 | 112.5 | M7 M8 V9 F14 T15 | M7-L11 VanDerWaalsContact O-CB 3.24Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 WeakPolarHBondContact O-CD1 3.19Å; M7-L11 VanDerWaalsContact O-CG 3.23Å; M7-L11 WeakPolarHBondContact O-CG 3.35Å; M7-L11 PolarHBondContact O-N 3.2Å; M8-L11 PolarHBondContact O-N 3.25Å; V9-L11 PolarHBondContact O-N 3.36Å; L11-F14 PolarHBondContact O-N 2.91Å; L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.29Å |
| 12 | L | 53 | Low | 59.6 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -39.5 | 174.2 | -80.2 | 159.3 | 0 | 0 | 0 | 111.9 | M8 V9 T15 | M8-L12 VanDerWaalsContact O-CB 3.28Å; M8-L12 WeakPolarHBondContact O-CB 3.43Å; M8-L12 WeakPolarHBondContact O-CD1 3.31Å; M8-L12 VanDerWaalsContact O-CG 3.24Å; M8-L12 WeakPolarHBondContact O-CG 3.3Å; M8-L12 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.5Å; L12-T15 PolarHBondContact O-OG1 3.36Å |
| 13 | E | 49.6 | Very low | 61.2 | Low | 134 Ų | 134 | 111.6 Ų | 111.6 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -36.9 | 174.6 | -67.9 | -70.7 | 161.7 | 0 | 0 | 111.8 | V9 V10 N16 | V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CB 3.33Å; V9-E13 WeakPolarHBondContact O-CG 3.44Å; V9-E13 PolarHBondContact O-N 2.91Å; V10-E13 PolarHBondContact O-N 3.04Å; E13-N16 PolarHBondContact O-N 3.47Å |
| 14 | F | 48 | Very low | 62.9 | Low | 162 Ų | 162 | 101.7 Ų | 101.7 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.5 | -25.6 | 176.8 | -94.9 | -91.7 | 0 | 0 | 0 | 113.5 | V10 L11 N16 G17 | V10-F14 HydrophobicContact CG1-CD2 3.64Å; V10-F14 HydrophobicContact CG1-CE2 3.8Å; V10-F14 WeakPolarHBondContact O-CB 3.25Å; V10-F14 VanDerWaalsContact O-CD2 3.26Å; V10-F14 WeakPolarHBondContact O-CD2 3.34Å; V10-F14 PolarHBondContact O-N 3.45Å; L11-F14 PolarHBondContact O-N 2.91Å; F14-N16 VanDerWaalsContact C-N 3.28Å; F14-N16 PolarHBondContact O-N 3.46Å; F14-G17 PolarHBondContact O-N 3.33Å |
| 15 | T | 46.3 | Very low | 64.4 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.8 | -16 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | L11 L12 G17 | L11-T15 WeakPolarHBondContact O-CG2 3.25Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.29Å; L12-T15 PolarHBondContact O-OG1 3.36Å; T15-G17 VanDerWaalsContact C-N 3.33Å |
| 16 | N | 45.5 | Very low | 65.9 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 71% | 0.711 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -6.7 | 174.7 | -70.6 | -30.7 | 0 | 0 | 0 | 113.3 | E13 F14 | E13-N16 PolarHBondContact O-N 3.47Å; F14-N16 VanDerWaalsContact C-N 3.28Å; F14-N16 PolarHBondContact O-N 3.46Å |
| 17 | G | 44.6 | Very low | 67.5 | Low | 54 Ų | 54 | 90.1 Ų | 90.1 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 18.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | F14 T15 W19 | F14-G17 PolarHBondContact O-N 3.33Å; T15-G17 VanDerWaalsContact C-N 3.33Å; G17-W19 PolarHBondContact O-N 2.86Å |
| 18 | V | 50.8 | Low | 69.1 | Low | 106 Ų | 106 | 87 Ų | 87 | 64% | 0.642 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -72.3 | 83.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | M20 | V18-M20 VanDerWaalsContact C-N 3.3Å; V18-M20 PolarHBondContact O-N 3.32Å |
| 19 | W | 57 | Low | 70.8 | Confident | 201 Ų | 201 | 82.8 Ų | 82.8 | 76% | 0.761 | 46% | 0.461 | S | S | * | . | trans | 14.8 | 68.8 | 160.5 | -69.6 | 75.7 | 0 | 0 | 0 | 114.2 | G17 K107 | G17-W19 PolarHBondContact O-N 2.86Å; W19-K107 PolarHBondContact O-NZ 2.92Å | ||
| 20 | M | 71.6 | Confident | 72.2 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 73% | 0.729 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 129 | -179.8 | -164.9 | 173.7 | -76.9 | 0 | 0 | 107.1 | V18 P22 | V18-M20 VanDerWaalsContact C-N 3.3Å; V18-M20 PolarHBondContact O-N 3.32Å; M20-P22 WeakPolarHBondContact O-CD 3.43Å |
| 21 | L | 88 | Confident | 73.5 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 7% | 0.068 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 124 | 177.3 | -175.5 | 71 | 0 | 0 | 0 | 107.9 | A45 A102 C104 S109 | L21-A45 HydrophobicContact CD1-CB 4.02Å; L21-A102 HydrophobicContact CD2-CB 3.7Å; L21-A102 WeakPolarHBondContact CD2-O 3.34Å; L21-A102 HydrophobicContact CG-CB 4.4Å; L21-C104 HydrophobicContact CD1-CB 3.92Å; L21-C104 HydrophobicContact CD2-CB 3.85Å; L21-S109 VanDerWaalsContact O-CA 3.23Å; L21-S109 WeakPolarHBondContact O-CA 3.17Å; L21-S109 WeakPolarHBondContact O-CB 3.24Å |
| 22 | P | 91.8 | Very high | 74.5 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.1 | 179.8 | 12 | -12.4 | 0 | 0 | 0 | 110.1 | M20 P43 A45 S109 | M20-P22 WeakPolarHBondContact O-CD 3.43Å; P22-P43 HydrophobicContact CB-CB 3.99Å; P22-P43 HydrophobicContact CG-CB 3.67Å; P22-P43 WeakPolarHBondContact O-CB 3.19Å; P22-P43 WeakPolarHBondContact O-CG 3.44Å; P22-A45 VanDerWaalsContact CD-CB 3.46Å; P22-A45 HydrophobicContact CG-CB 3.75Å; P22-S109 VanDerWaalsContact O-CB 3.23Å; P22-S109 WeakPolarHBondContact O-CB 3.32Å |
| 23 | A | 94.3 | Very high | 75.4 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 31% | 0.306 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G25 A110 A112 | A23-G25 PolarHBondContact O-N 3.14Å; A23-A110 HydrophobicContact CB-CB 4.46Å; A23-A110 WeakPolarHBondContact CB-O 3.36Å; A23-A112 HydrophobicContact CB-CB 4.41Å |
| 24 | P | 95.8 | Very high | 76.7 | Confident | 7 Ų | 7 | 74.6 Ų | 74.6 | 5% | 0.045 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -47.4 | 140.6 | 167.5 | -27.8 | 37 | 0 | 0 | 0 | 110.7 | W40 Y53 V100 A102 A112 | P24-W40 HydrophobicContact CB-CB 4.18Å; P24-W40 HydrophobicContact CB-CG 4.16Å; P24-Y53 HydrophobicContact CG-CD1 4.28Å; P24-Y53 HydrophobicContact CG-CE1 4.32Å; P24-V100 HydrophobicContact CB-CG1 3.96Å; P24-V100 HydrophobicContact CG-CG1 4Å; P24-V100 HydrophobicContact CG-CG2 4.2Å; P24-A102 HydrophobicContact CG-CB 4.25Å; P24-A112 HydrophobicContact CB-CB 4.22Å |
| 25 | G | 92.6 | Very high | 78.4 | Confident | 33 Ų | 33 | 74 Ų | 74 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | trans | -75.1 | -145.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A23 V27 T41 | A23-G25 PolarHBondContact O-N 3.14Å; G25-V27 VanDerWaalsContact O-CG2 3.31Å; G25-V27 WeakPolarHBondContact O-CG2 3.4Å; G25-V27 PolarHBondContact O-N 2.75Å; G25-T41 VanDerWaalsContact C-OG1 3.26Å; G25-T41 WeakPolarHBondContact CA-OG1 3.35Å; G25-T41 PolarHBondContact N-O 2.74Å | ||
| 26 | T | 95 | Very high | 80.6 | Confident | 111 Ų | 111 | 69.7 Ų | 69.7 | 68% | 0.681 | 39% | 0.389 | S | S | * | . | trans | -44.3 | 116.6 | -179.1 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | W40 T41 | T26-W40 VanDerWaalsContact O-CA 3.24Å; T26-W40 WeakPolarHBondContact O-CA 3.35Å; T26-T41 PolarHBondContact N-OG1 3.1Å; T26-T41 PolarHBondContact O-N 2.91Å | ||
| 27 | V | 97.3 | Very high | 83 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.6 | 175.3 | -171.9 | 0 | 0 | 0 | 0 | 108 | G25 L38 R39 W40 V100 A112 F114 | G25-V27 VanDerWaalsContact O-CG2 3.31Å; G25-V27 WeakPolarHBondContact O-CG2 3.4Å; G25-V27 PolarHBondContact O-N 2.75Å; V27-L38 HydrophobicContact CG1-CD1 3.64Å; V27-L38 HydrophobicContact CG1-CD2 4.5Å; V27-L38 HydrophobicContact CG1-CG 4.16Å; V27-R39 CarbonylContact C-O 3.53Å; V27-R39 WeakPolarHBondContact CA-O 3.46Å; V27-W40 HydrophobicContact CG2-CB 4.16Å; V27-V100 HydrophobicContact CG2-CG1 3.97Å; V27-A112 HydrophobicContact CG2-CB 3.78Å; V27-F114 HydrophobicContact CB-CB 4.14Å; V27-F114 HydrophobicContact CB-CD2 4.21Å; V27-F114 HydrophobicContact CB-CG 4.44Å; V27-F114 HydrophobicContact CG1-CB 3.64Å; V27-F114 HydrophobicContact CG1-CD2 4.17Å; V27-F114 HydrophobicContact CG1-CG 3.97Å; V27-F114 VanDerWaalsContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CE2 3.3Å |
| 28 | S | 95.9 | Very high | 85.5 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.4 | -179 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | R39 | S28-R39 PolarHBondContact N-O 2.84Å; S28-R39 PolarHBondContact O-N 3.47Å |
| 29 | M | 94.1 | Very high | 87.8 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.8 | 171.9 | -171.2 | 72.1 | 111.4 | 0 | 0 | 110.5 | H36 V37 L38 L90 L98 F114 F116 | M29-H36 HydrophobicContact CE-CB 3.8Å; M29-H36 HydrophobicContact SD-CB 4.22Å; M29-V37 VanDerWaalsContact SD-C 3.52Å; M29-L38 HydrophobicContact SD-CB 4.26Å; M29-L38 HydrophobicContact SD-CD1 4.39Å; M29-L90 HydrophobicContact CE-CD1 3.53Å; M29-L98 HydrophobicContact CE-CD1 3.67Å; M29-F114 HydrophobicContact CB-CE1 3.62Å; M29-F114 HydrophobicContact CB-CZ 4.04Å; M29-F116 HydrophobicContact CB-CD2 4.01Å; M29-F116 HydrophobicContact CB-CE2 4.28Å; M29-F116 HydrophobicContact CE-CB 4.4Å; M29-F116 HydrophobicContact CE-CD1 3.57Å; M29-F116 HydrophobicContact CE-CD2 3.86Å; M29-F116 HydrophobicContact CE-CE1 3.58Å; M29-F116 HydrophobicContact CE-CE2 3.89Å; M29-F116 HydrophobicContact CE-CG 3.67Å; M29-F116 HydrophobicContact CE-CZ 3.7Å; M29-F116 HydrophobicContact CG-CD2 3.72Å; M29-F116 HydrophobicContact CG-CE2 3.58Å; M29-F116 HydrophobicContact CG-CG 4.43Å; M29-F116 HydrophobicContact CG-CZ 4.17Å |
| 30 | D | 90.6 | Very high | 89.7 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 105 | 167.3 | -177.6 | 8.9 | 0 | 0 | 0 | 107.7 | V37 R39 | D30-V37 HydrophobicContact CB-CB 4.39Å; D30-V37 PolarHBondContact N-O 3.46Å; D30-V37 PolarHBondContact O-N 2.96Å; D30-R39 IonicContact OD2-NE 3.58Å |
| 31 | S | 86.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 102 | -171.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | R35 H36 I121 | S31-R35 VanDerWaalsContact CA-O 3.3Å; S31-R35 WeakPolarHBondContact CA-O 3.49Å; S31-H36 PolarHBondContact OG-CE1 3.38Å; S31-H36 PolarHBondContact OG-ND1 3.48Å; S31-H36 VanDerWaalsContact OG-ND1 3.07Å; S31-I121 WeakPolarHBondContact OG-CD1 3.25Å; S31-I121 WeakPolarHBondContact OG-CG1 3.2Å |
| 32 | V | 76.7 | Confident | 91.1 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.8 | -178.2 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | M34 R35 | V32-M34 VanDerWaalsContact C-N 3.33Å; V32-M34 PolarHBondContact O-N 3.44Å; V32-R35 PolarHBondContact N-O 2.87Å; V32-R35 VanDerWaalsContact N-O 3.13Å; V32-R35 WeakPolarHBondContact O-CB 3.49Å; V32-R35 PolarHBondContact O-N 3Å |
| 33 | N | 72.3 | Confident | 91 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 46 | 175.4 | -62.4 | -15.3 | 0 | 0 | 0 | 113.8 | R35 P124 | N33-R35 PolarHBondContact O-N 2.9Å; N33-R35 VanDerWaalsContact O-N 3.09Å; N33-P124 HydrophobicContact CB-CB 3.93Å; N33-P124 HydrophobicContact CB-CG 3.8Å; N33-P124 WeakPolarHBondContact OD1-CA 3.11Å; N33-P124 VanDerWaalsContact OD1-CB 3.3Å; N33-P124 WeakPolarHBondContact OD1-CB 3.23Å |
| 34 | M | 75.8 | Confident | 90.3 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 6.9 | -176.4 | -60 | -62.9 | -78.1 | 0 | 0 | 115.7 | V32 H36 T87 P145 | V32-M34 VanDerWaalsContact C-N 3.33Å; V32-M34 PolarHBondContact O-N 3.44Å; M34-H36 PolarHBondContact O-CD2 3.44Å; M34-H36 PolarHBondContact O-NE2 3.02Å; M34-H36 VanDerWaalsContact O-NE2 3.08Å; M34-T87 WeakPolarHBondContact O-CG2 3.34Å; M34-P145 HydrophobicContact CE-CG 4.21Å |
| 35 | R | 84.8 | Confident | 89.3 | Confident | 150 Ų | 150 | 63.8 Ų | 63.8 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.9 | 173.5 | -173 | -175.7 | -177.9 | -174.6 | -0.3 | 110 | S31 V32 N33 V37 D85 T87 | S31-R35 VanDerWaalsContact CA-O 3.3Å; S31-R35 WeakPolarHBondContact CA-O 3.49Å; V32-R35 PolarHBondContact N-O 2.87Å; V32-R35 VanDerWaalsContact N-O 3.13Å; V32-R35 WeakPolarHBondContact O-CB 3.49Å; V32-R35 PolarHBondContact O-N 3Å; N33-R35 PolarHBondContact O-N 2.9Å; N33-R35 VanDerWaalsContact O-N 3.09Å; R35-V37 HydrophobicContact CG-CG2 4.22Å; R35-D85 IonicContact CZ-OD2 3.13Å; R35-D85 IonicContact NE-OD2 3.45Å; R35-D85 PolarHBondContact NE-OD2 2.8Å; R35-D85 IonicContact NH2-OD2 2.73Å; R35-D85 PolarHBondContact NH2-OD2 2.93Å; R35-T87 WeakPolarHBondContact CA-OG1 3.4Å |
| 36 | H | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 101.1 | -170.7 | -57.2 | -47.4 | 0 | 0 | 0 | 110.8 | M29 S31 M34 L86 T87 L90 F116 R118 | M29-H36 HydrophobicContact CE-CB 3.8Å; M29-H36 HydrophobicContact SD-CB 4.22Å; S31-H36 PolarHBondContact OG-CE1 3.38Å; S31-H36 PolarHBondContact OG-ND1 3.48Å; S31-H36 VanDerWaalsContact OG-ND1 3.07Å; M34-H36 PolarHBondContact O-CD2 3.44Å; M34-H36 PolarHBondContact O-NE2 3.02Å; M34-H36 VanDerWaalsContact O-NE2 3.08Å; H36-L86 PolarHBondContact O-N 2.81Å; H36-T87 PolarHBondContact N-OG1 2.85Å; H36-L90 HydrophobicContact CB-CD1 4.27Å; H36-F116 AromaticContact CG-CZ 3.98Å; H36-F116 AromaticContact ND1-CZ 3.5Å; H36-F116 WeakPolarHBondContact ND1-CZ 3.43Å; H36-R118 PolarHBondContact NE2-NE 2.9Å |
| 37 | V | 95.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.1 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | M29 D30 R35 R39 C84 D85 | M29-V37 VanDerWaalsContact SD-C 3.52Å; D30-V37 HydrophobicContact CB-CB 4.39Å; D30-V37 PolarHBondContact N-O 3.46Å; D30-V37 PolarHBondContact O-N 2.96Å; R35-V37 HydrophobicContact CG-CG2 4.22Å; V37-R39 HydrophobicContact CG1-CG 4.35Å; V37-C84 CarbonylContact C-O 3.55Å; V37-C84 WeakPolarHBondContact CA-O 3.29Å; V37-D85 HydrophobicContact CG2-CB 4.44Å |
| 38 | L | 98 | Very high | 87.2 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.1 | 173.2 | -170.1 | 68.6 | 0 | 0 | 0 | 109.4 | V27 M29 W40 V55 S83 C84 L86 L98 F114 | V27-L38 HydrophobicContact CG1-CD1 3.64Å; V27-L38 HydrophobicContact CG1-CD2 4.5Å; V27-L38 HydrophobicContact CG1-CG 4.16Å; M29-L38 HydrophobicContact SD-CB 4.26Å; M29-L38 HydrophobicContact SD-CD1 4.39Å; L38-W40 HydrophobicContact CB-CZ3 4.24Å; L38-W40 HydrophobicContact CD2-CE3 4.22Å; L38-W40 HydrophobicContact CD2-CZ3 4.01Å; L38-W40 HydrophobicContact CG-CE3 4.07Å; L38-W40 HydrophobicContact CG-CZ3 4.04Å; L38-V55 HydrophobicContact CD2-CG1 3.86Å; L38-V55 HydrophobicContact CD2-CG2 4.44Å; L38-S83 CarbonylContact O-C 3.57Å; L38-S83 WeakPolarHBondContact O-CA 3.42Å; L38-C84 PolarHBondContact N-O 3.33Å; L38-C84 PolarHBondContact O-N 3.33Å; L38-L86 HydrophobicContact CB-CD1 3.85Å; L38-L86 HydrophobicContact CD2-CD1 4.14Å; L38-L98 HydrophobicContact CD1-CD1 3.79Å; L38-L98 HydrophobicContact CD2-CB 4.4Å; L38-L98 HydrophobicContact CD2-CD1 4.44Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å |
| 39 | R | 98.3 | Very high | 86.8 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.4 | 178.4 | -66 | -179 | 170.7 | -84.2 | 0.7 | 110.5 | V27 S28 D30 V37 | V27-R39 CarbonylContact C-O 3.53Å; V27-R39 WeakPolarHBondContact CA-O 3.46Å; S28-R39 PolarHBondContact N-O 2.84Å; S28-R39 PolarHBondContact O-N 3.47Å; D30-R39 IonicContact OD2-NE 3.58Å; V37-R39 HydrophobicContact CG1-CG 4.35Å |
| 40 | W | 97.8 | Very high | 86.6 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 4% | 0.038 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 165.2 | 174.1 | 55.2 | 90.4 | 0 | 0 | 0 | 112.1 | P24 T26 V27 L38 Y53 V55 I79 L81 T82 C84 V100 | P24-W40 HydrophobicContact CB-CB 4.18Å; P24-W40 HydrophobicContact CB-CG 4.16Å; T26-W40 VanDerWaalsContact O-CA 3.24Å; T26-W40 WeakPolarHBondContact O-CA 3.35Å; V27-W40 HydrophobicContact CG2-CB 4.16Å; L38-W40 HydrophobicContact CB-CZ3 4.24Å; L38-W40 HydrophobicContact CD2-CE3 4.22Å; L38-W40 HydrophobicContact CD2-CZ3 4.01Å; L38-W40 HydrophobicContact CG-CE3 4.07Å; L38-W40 HydrophobicContact CG-CZ3 4.04Å; W40-Y53 AromaticContact CD1-CD1 3.93Å; W40-Y53 AromaticContact CD1-CE1 3.78Å; W40-Y53 AromaticContact CE2-CD1 3.91Å; W40-Y53 AromaticContact CE2-CG 3.8Å; W40-Y53 HydrophobicContact CZ2-CD1 4.29Å; W40-Y53 HydrophobicContact CZ2-CD2 4.16Å; W40-Y53 AromaticContact CZ2-CG 3.75Å; W40-Y53 HydrophobicContact CZ2-CG 3.75Å; W40-Y53 AromaticContact NE1-CD1 3.11Å; W40-Y53 AromaticContact NE1-CD2 3.69Å; W40-Y53 AromaticContact NE1-CE1 3.29Å; W40-Y53 VanDerWaalsContact NE1-CE1 3.29Å; W40-Y53 AromaticContact NE1-CE2 3.87Å; W40-Y53 AromaticContact NE1-CG 3.33Å; W40-Y53 VanDerWaalsContact NE1-CG 3.33Å; W40-Y53 AromaticContact NE1-CZ 3.68Å; W40-V55 HydrophobicContact CH2-CG2 3.65Å; W40-V55 HydrophobicContact CZ3-CG2 3.88Å; W40-I79 HydrophobicContact CH2-CD1 4.22Å; W40-I79 HydrophobicContact CZ2-CD1 4.43Å; W40-L81 VanDerWaalsContact CZ2-O 3.32Å; W40-L81 WeakPolarHBondContact CZ2-O 3.14Å; W40-T82 PolarHBondContact N-O 3.11Å; W40-T82 WeakPolarHBondContact O-CB 3.37Å; W40-C84 HydrophobicContact CH2-CB 3.78Å; W40-C84 HydrophobicContact CZ3-CB 3.95Å; W40-V100 HydrophobicContact CB-CG1 4.4Å; W40-V100 HydrophobicContact CD2-CB 4.46Å; W40-V100 HydrophobicContact CD2-CG1 4.19Å; W40-V100 HydrophobicContact CD2-CG2 3.84Å; W40-V100 HydrophobicContact CE3-CB 4.39Å; W40-V100 HydrophobicContact CE3-CG1 4.27Å; W40-V100 HydrophobicContact CE3-CG2 4.08Å; W40-V100 HydrophobicContact CG-CG1 4.26Å; W40-V100 HydrophobicContact CG-CG2 4.41Å; W40-V100 HydrophobicContact CH2-CG2 4.14Å; W40-V100 HydrophobicContact CZ2-CG2 3.9Å; W40-V100 HydrophobicContact CZ3-CG2 4.23Å |
| 41 | T | 96.4 | Very high | 86.8 | Confident | 71 Ų | 71 | 71 Ų | 71 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 141.5 | 172.9 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | G25 T26 | G25-T41 VanDerWaalsContact C-OG1 3.26Å; G25-T41 WeakPolarHBondContact CA-OG1 3.35Å; G25-T41 PolarHBondContact N-O 2.74Å; T26-T41 PolarHBondContact N-OG1 3.1Å; T26-T41 PolarHBondContact O-N 2.91Å |
| 42 | Q | 93.2 | Very high | 87.3 | Confident | 112 Ų | 112 | 72.2 Ų | 72.2 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -65 | 134.8 | 178 | 176.8 | 156.1 | -77.9 | 0 | 0 | 110.7 | Y53 T82 | Q42-Y53 WeakPolarHBondContact CB-OH 3.11Å; Q42-Y53 VanDerWaalsContact CG-OH 3.26Å; Q42-Y53 WeakPolarHBondContact CG-OH 3.42Å; Q42-Y53 PolarHBondContact OE1-OH 3.41Å; Q42-T82 HydrophobicContact CB-CG2 4.43Å |
| 43 | P | 88.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 141 | 175.6 | -17.1 | 25 | 0 | 0 | 0 | 112 | P22 A45 A102 | P22-P43 HydrophobicContact CB-CB 3.99Å; P22-P43 HydrophobicContact CG-CB 3.67Å; P22-P43 WeakPolarHBondContact O-CB 3.19Å; P22-P43 WeakPolarHBondContact O-CG 3.44Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.38Å; P43-A102 HydrophobicContact CG-CB 4Å |
| 44 | R | 80.2 | Confident | 89.5 | Confident | 254 Ų | 254 | 63.8 Ų | 63.8 | 96% | 0.958 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -77.5 | 76.2 | 173.2 | -65 | -174.5 | -178.2 | -177.7 | 0.8 | 110 | ||
| 45 | A | 75.2 | Confident | 90.6 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 35% | 0.347 | 32% | 0.32 | S | S | . | . | trans | -138.5 | 141.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L21 P22 P43 C47 | L21-A45 HydrophobicContact CD1-CB 4.02Å; P22-A45 VanDerWaalsContact CD-CB 3.46Å; P22-A45 HydrophobicContact CG-CB 3.75Å; P43-A45 VanDerWaalsContact C-N 3.26Å; P43-A45 PolarHBondContact O-N 3.38Å; A45-C47 PolarHBondContact O-N 3.5Å | ||
| 46 | S | 74.6 | Confident | 91.3 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 70% | 0.699 | 30% | 0.298 | S | S | * | . | trans | -68.1 | 112.1 | 171.4 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 47 | C | 83.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | trans | -112.1 | 129.4 | 170.6 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | A45 S49 V51 C104 | A45-C47 PolarHBondContact O-N 3.5Å; C47-S49 PolarHBondContact O-N 3.48Å; C47-S49 PolarHBondContact SG-O 2.94Å; C47-S49 PolarHBondContact SG-OG 2.99Å; C47-S49 VanDerWaalsContact SG-OG 3.33Å; C47-V51 HydrophobicContact CB-CG2 3.7Å; C47-C104 VanDerWaalsContact CA-SG 3.52Å; C47-C104 HydrophobicContact CB-CB 4.03Å; C47-C104 WeakPolarHBondContact CB-SG 3.34Å; C47-C104 WeakPolarHBondContact SG-CB 3.48Å; C47-C104 CovalentContact SG-SG 2.02Å; C47-C104 PolarHBondContact SG-SG 3.46Å | ||
| 48 | N | 83.4 | Confident | 91.5 | Very high | 173 Ų | 173 | 58.2 Ų | 58.2 | 93% | 0.925 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.2 | -6.8 | 177.8 | -65 | -7.9 | 0 | 0 | 0 | 112.5 | ||
| 49 | S | 85.8 | Confident | 91.3 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -128.5 | 173.7 | 179.9 | 66.8 | 0 | 0 | 0 | 0 | 110.5 | C47 V51 | C47-S49 PolarHBondContact O-N 3.48Å; C47-S49 PolarHBondContact SG-O 2.94Å; C47-S49 PolarHBondContact SG-OG 2.99Å; C47-S49 VanDerWaalsContact SG-OG 3.33Å; S49-V51 PolarHBondContact O-N 3.42Å |
| 50 | T | 90.7 | Very high | 90.8 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | trans | -59.2 | 133.7 | 166.6 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | L52 P80 | T50-L52 HydrophobicContact CG2-CD2 4.21Å; T50-P80 HydrophobicContact CG2-CB 3.97Å | ||
| 51 | V | 94.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 33% | 0.331 | C | S | . | . | trans | -81.2 | 130.2 | 172.2 | 180 | 0 | 0 | 0 | 0 | 108.3 | C47 S49 Y53 A102 Q103 | C47-V51 HydrophobicContact CB-CG2 3.7Å; S49-V51 PolarHBondContact O-N 3.42Å; V51-Y53 HydrophobicContact CG1-CE1 3.98Å; V51-Y53 HydrophobicContact CG1-CE2 4.17Å; V51-A102 HydrophobicContact CG1-CB 3.85Å; V51-Q103 WeakPolarHBondContact CA-O 3.09Å | ||
| 52 | L | 96.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.7 | 179.1 | -57.3 | 178.1 | 0 | 0 | 0 | 110.2 | T50 R78 I79 P80 A102 Q103 | T50-L52 HydrophobicContact CG2-CD2 4.21Å; L52-R78 HydrophobicContact CB-CB 4.32Å; L52-R78 HydrophobicContact CD1-CB 4.2Å; L52-I79 CarbonylContact C-O 3.53Å; L52-I79 WeakPolarHBondContact CA-O 3.11Å; L52-P80 HydrophobicContact CD2-CB 4.11Å; L52-A102 CarbonylContact O-C 3.54Å; L52-A102 WeakPolarHBondContact O-CA 3.33Å; L52-Q103 PolarHBondContact N-O 3.34Å; L52-Q103 PolarHBondContact O-N 2.94Å |
| 53 | Y | 98 | Very high | 89.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143 | -175.6 | -57.7 | -82 | 0 | 0 | 0 | 111.4 | P24 W40 Q42 V51 R78 I79 L81 T82 V100 R101 A102 | P24-Y53 HydrophobicContact CG-CD1 4.28Å; P24-Y53 HydrophobicContact CG-CE1 4.32Å; W40-Y53 AromaticContact CD1-CD1 3.93Å; W40-Y53 AromaticContact CD1-CE1 3.78Å; W40-Y53 AromaticContact CE2-CD1 3.91Å; W40-Y53 AromaticContact CE2-CG 3.8Å; W40-Y53 HydrophobicContact CZ2-CD1 4.29Å; W40-Y53 HydrophobicContact CZ2-CD2 4.16Å; W40-Y53 AromaticContact CZ2-CG 3.75Å; W40-Y53 HydrophobicContact CZ2-CG 3.75Å; W40-Y53 AromaticContact NE1-CD1 3.11Å; W40-Y53 AromaticContact NE1-CD2 3.69Å; W40-Y53 AromaticContact NE1-CE1 3.29Å; W40-Y53 VanDerWaalsContact NE1-CE1 3.29Å; W40-Y53 AromaticContact NE1-CE2 3.87Å; W40-Y53 AromaticContact NE1-CG 3.33Å; W40-Y53 VanDerWaalsContact NE1-CG 3.33Å; W40-Y53 AromaticContact NE1-CZ 3.68Å; Q42-Y53 WeakPolarHBondContact CB-OH 3.11Å; Q42-Y53 VanDerWaalsContact CG-OH 3.26Å; Q42-Y53 WeakPolarHBondContact CG-OH 3.42Å; Q42-Y53 PolarHBondContact OE1-OH 3.41Å; V51-Y53 HydrophobicContact CG1-CE1 3.98Å; V51-Y53 HydrophobicContact CG1-CE2 4.17Å; Y53-R78 CarbonylContact O-C 3.59Å; Y53-R78 WeakPolarHBondContact O-CA 2.99Å; Y53-R78 PolarHBondContact O-N 2.86Å; Y53-I79 WeakPolarHBondContact CD2-O 3.44Å; Y53-I79 PolarHBondContact N-O 3.42Å; Y53-I79 PolarHBondContact O-N 3.38Å; Y53-L81 VanDerWaalsContact CD2-O 3.3Å; Y53-L81 WeakPolarHBondContact CD2-O 3.46Å; Y53-T82 HydrophobicContact CE2-CG2 3.95Å; Y53-V100 HydrophobicContact CD1-CG2 4.38Å; Y53-R101 VanDerWaalsContact CA-O 3.31Å; Y53-R101 WeakPolarHBondContact CA-O 3.36Å; Y53-A102 HydrophobicContact CD1-CB 4.02Å; Y53-A102 HydrophobicContact CE1-CB 3.8Å |
| 54 | S | 98.4 | Very high | 90 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.3 | 171.5 | -83.8 | 0 | 0 | 0 | 0 | 109.3 | C76 Q77 R78 V100 R101 W111 | S54-C76 WeakPolarHBondContact CA-O 3.4Å; S54-Q77 VanDerWaalsContact CB-OE1 3.28Å; S54-Q77 PolarHBondContact OG-OE1 3.29Å; S54-R78 PolarHBondContact OG-N 3.05Å; S54-V100 WeakPolarHBondContact O-CA 3.13Å; S54-R101 PolarHBondContact N-O 2.81Å; S54-R101 VanDerWaalsContact N-O 3.08Å; S54-R101 PolarHBondContact O-N 2.83Å; S54-R101 VanDerWaalsContact O-N 3.07Å; S54-W111 WeakPolarHBondContact O-CZ3 3.24Å |
| 55 | V | 98.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 141.5 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L38 W40 A73 C76 Q77 C84 L86 R99 V100 | L38-V55 HydrophobicContact CD2-CG1 3.86Å; L38-V55 HydrophobicContact CD2-CG2 4.44Å; W40-V55 HydrophobicContact CH2-CG2 3.65Å; W40-V55 HydrophobicContact CZ3-CG2 3.88Å; V55-A73 HydrophobicContact CB-CB 4.34Å; V55-A73 HydrophobicContact CG1-CB 4.44Å; V55-A73 PolarHBondContact O-N 3.38Å; V55-C76 HydrophobicContact CB-CB 3.9Å; V55-C76 HydrophobicContact CG2-CB 4Å; V55-C76 PolarHBondContact N-O 2.95Å; V55-Q77 PolarHBondContact O-NE2 3.31Å; V55-C84 HydrophobicContact CG2-CB 4.04Å; V55-L86 HydrophobicContact CG1-CD1 4.2Å; V55-L86 HydrophobicContact CG1-CD2 4.1Å; V55-R99 CarbonylContact C-O 3.56Å; V55-R99 WeakPolarHBondContact CA-O 3.39Å; V55-V100 HydrophobicContact CG2-CB 4.25Å; V55-V100 HydrophobicContact CG2-CG2 3.99Å |
| 56 | Q | 98.4 | Very high | 91.2 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.5 | 170.9 | -71.1 | -178.9 | -20.8 | 0 | 0 | 110.4 | W70 I71 N72 R99 W111 | Q56-W70 HydrophobicContact CB-CB 4.41Å; Q56-W70 HydrophobicContact CB-CE3 3.96Å; Q56-I71 CarbonylContact C-O 3.52Å; Q56-I71 WeakPolarHBondContact CA-O 3.37Å; Q56-I71 VanDerWaalsContact CB-O 3.27Å; Q56-I71 WeakPolarHBondContact CB-O 3.31Å; Q56-N72 VanDerWaalsContact CG-OD1 3.3Å; Q56-N72 WeakPolarHBondContact CG-OD1 3.4Å; Q56-N72 PolarHBondContact NE2-OD1 2.85Å; Q56-R99 HydrophobicContact CB-CG 3.84Å; Q56-R99 PolarHBondContact N-O 2.85Å; Q56-R99 PolarHBondContact O-N 2.96Å; Q56-W111 HydrophobicContact CB-CH2 4.33Å; Q56-W111 HydrophobicContact CB-CZ3 4.4Å; Q56-W111 HydrophobicContact CG-CH2 3.74Å; Q56-W111 HydrophobicContact CG-CZ2 4.45Å; Q56-W111 HydrophobicContact CG-CZ3 4.26Å |
| 57 | Y | 97.2 | Very high | 92 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162.3 | 176.1 | 69.6 | -86.7 | 0 | 0 | 0 | 110.8 | I71 A73 D89 L90 Y96 S97 | Y57-I71 HydrophobicContact CD1-CB 4.34Å; Y57-I71 HydrophobicContact CE1-CB 3.88Å; Y57-I71 HydrophobicContact CE1-CG2 3.71Å; Y57-I71 HydrophobicContact CE2-CB 4.11Å; Y57-I71 HydrophobicContact CE2-CG2 4.4Å; Y57-I71 PolarHBondContact N-O 2.98Å; Y57-I71 PolarHBondContact O-N 3.18Å; Y57-I71 WeakPolarHBondContact OH-CG2 3.22Å; Y57-A73 HydrophobicContact CD1-CB 4.42Å; Y57-D89 HydrophobicContact CD1-CB 4.03Å; Y57-D89 HydrophobicContact CE1-CB 3.76Å; Y57-L90 HydrophobicContact CD2-CD2 4.27Å; Y57-L90 HydrophobicContact CG-CD2 4.25Å; Y57-Y96 HydrophobicContact CD2-CD1 4.27Å; Y57-Y96 HydrophobicContact CD2-CE1 4.23Å; Y57-S97 CarbonylContact C-O 3.6Å; Y57-S97 WeakPolarHBondContact CA-O 3.34Å |
| 58 | Q | 95.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 112.7 | 177.6 | 165.7 | 167.4 | 81.2 | 0 | 0 | 107.5 | E62 L63 G68 S69 W70 Y96 S97 | Q58-E62 HydrophobicContact CG-CB 4.04Å; Q58-L63 HydrophobicContact CG-CD1 4.36Å; Q58-L63 HydrophobicContact CG-CD2 3.83Å; Q58-L63 HydrophobicContact CG-CG 3.69Å; Q58-G68 PolarHBondContact NE2-O 3.34Å; Q58-S69 PolarHBondContact NE2-O 2.68Å; Q58-W70 HydrophobicContact CB-CD2 4.06Å; Q58-W70 HydrophobicContact CB-CE3 3.84Å; Q58-W70 HydrophobicContact CB-CH2 4.38Å; Q58-W70 HydrophobicContact CB-CZ3 4.01Å; Q58-Y96 WeakPolarHBondContact O-CA 3.45Å; Q58-S97 PolarHBondContact N-O 2.87Å; Q58-S97 PolarHBondContact O-N 3.06Å |
| 59 | G | 92.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | trans | -99 | -171.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F61 E62 L63 Y96 | G59-F61 VanDerWaalsContact C-N 3.33Å; G59-F61 PolarHBondContact O-N 2.82Å; G59-E62 PolarHBondContact N-OE2 3.05Å; G59-E62 VanDerWaalsContact N-OE2 3.07Å; G59-E62 PolarHBondContact O-N 2.78Å; G59-L63 WeakPolarHBondContact O-CG 3.38Å; G59-L63 PolarHBondContact O-N 2.86Å; G59-L63 VanDerWaalsContact O-N 3.09Å; G59-Y96 VanDerWaalsContact CA-CD1 3.47Å | ||
| 60 | E | 88.1 | Confident | 93.4 | Very high | 112 Ų | 112 | 56 Ų | 56 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 177.8 | -172.9 | -178.2 | -172.1 | 0 | 0 | 112.5 | E62 L63 L64 | E60-E62 PolarHBondContact O-N 3.35Å; E60-L63 PolarHBondContact O-N 2.78Å; E60-L64 HydrophobicContact CG-CD1 3.58Å; E60-L64 HydrophobicContact CG-CG 4.1Å; E60-L64 WeakPolarHBondContact O-CB 3.48Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.11Å |
| 61 | F | 87.7 | Confident | 93.7 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 177.9 | 179.2 | -99.9 | 0 | 0 | 0 | 112 | G59 L63 I65 K66 | G59-F61 VanDerWaalsContact C-N 3.33Å; G59-F61 PolarHBondContact O-N 2.82Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.5Å; F61-I65 HydrophobicContact CD2-CB 3.88Å; F61-I65 HydrophobicContact CD2-CG1 3.62Å; F61-I65 HydrophobicContact CD2-CG2 4.37Å; F61-I65 HydrophobicContact CE2-CB 3.71Å; F61-I65 HydrophobicContact CE2-CG1 3.75Å; F61-I65 HydrophobicContact CE2-CG2 3.69Å; F61-I65 HydrophobicContact CG-CB 4.42Å; F61-I65 HydrophobicContact CG-CG1 4.42Å; F61-I65 HydrophobicContact CZ-CB 4.12Å; F61-I65 HydrophobicContact CZ-CG2 3.91Å; F61-I65 WeakPolarHBondContact O-CA 3.41Å; F61-I65 VanDerWaalsContact O-CB 3.29Å; F61-I65 WeakPolarHBondContact O-CB 3.4Å; F61-I65 PolarHBondContact O-N 3.32Å; F61-K66 HydrophobicContact CD1-CD 4.38Å; F61-K66 HydrophobicContact CE1-CD 3.99Å; F61-K66 HydrophobicContact CE1-CG 4.07Å; F61-K66 PolarHBondContact O-N 3.27Å |
| 62 | E | 92.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.7 | -78.6 | 64.4 | -133.6 | 0 | 0 | 112.6 | Q58 G59 E60 K66 G68 S69 I71 | Q58-E62 HydrophobicContact CG-CB 4.04Å; G59-E62 PolarHBondContact N-OE2 3.05Å; G59-E62 VanDerWaalsContact N-OE2 3.07Å; G59-E62 PolarHBondContact O-N 2.78Å; E60-E62 PolarHBondContact O-N 3.35Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 CarbonylContact O-C 3.2Å; E62-K66 WeakPolarHBondContact O-CA 3.47Å; E62-K66 PolarHBondContact O-N 3.45Å; E62-G68 WeakPolarHBondContact O-CA 3.47Å; E62-G68 PolarHBondContact O-N 3.33Å; E62-S69 WeakPolarHBondContact CB-O 3.41Å; E62-I71 HydrophobicContact CG-CD1 4.13Å; E62-I71 HydrophobicContact CG-CG1 3.47Å; E62-I71 VanDerWaalsContact CG-CG1 3.47Å |
| 63 | L | 89.6 | Confident | 94 | Very high | 81 Ų | 81 | 54 Ų | 54 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.6 | -51.8 | 179 | -74.4 | 169.1 | 0 | 0 | 0 | 111.6 | Q58 G59 E60 F61 G68 | Q58-L63 HydrophobicContact CG-CD1 4.36Å; Q58-L63 HydrophobicContact CG-CD2 3.83Å; Q58-L63 HydrophobicContact CG-CG 3.69Å; G59-L63 WeakPolarHBondContact O-CG 3.38Å; G59-L63 PolarHBondContact O-N 2.86Å; G59-L63 VanDerWaalsContact O-N 3.09Å; E60-L63 PolarHBondContact O-N 2.78Å; F61-L63 VanDerWaalsContact C-N 3.3Å; F61-L63 PolarHBondContact O-N 3.5Å; L63-G68 PolarHBondContact O-N 3.23Å |
| 64 | L | 89.3 | Confident | 93.9 | Very high | 120 Ų | 120 | 58 Ų | 58 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -83.7 | -38.8 | -171.5 | -61.6 | -177.9 | 0 | 0 | 0 | 113.1 | E60 | E60-L64 HydrophobicContact CG-CD1 3.58Å; E60-L64 HydrophobicContact CG-CG 4.1Å; E60-L64 WeakPolarHBondContact O-CB 3.48Å; E60-L64 WeakPolarHBondContact O-CG 3.47Å; E60-L64 PolarHBondContact O-N 3.11Å |
| 65 | I | 89.3 | Confident | 93.8 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 57% | 0.574 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -30.1 | -170 | -49.5 | -58 | 0 | 0 | 0 | 112 | F61 | F61-I65 HydrophobicContact CD2-CB 3.88Å; F61-I65 HydrophobicContact CD2-CG1 3.62Å; F61-I65 HydrophobicContact CD2-CG2 4.37Å; F61-I65 HydrophobicContact CE2-CB 3.71Å; F61-I65 HydrophobicContact CE2-CG1 3.75Å; F61-I65 HydrophobicContact CE2-CG2 3.69Å; F61-I65 HydrophobicContact CG-CB 4.42Å; F61-I65 HydrophobicContact CG-CG1 4.42Å; F61-I65 HydrophobicContact CZ-CB 4.12Å; F61-I65 HydrophobicContact CZ-CG2 3.91Å; F61-I65 WeakPolarHBondContact O-CA 3.41Å; F61-I65 VanDerWaalsContact O-CB 3.29Å; F61-I65 WeakPolarHBondContact O-CB 3.4Å; F61-I65 PolarHBondContact O-N 3.32Å |
| 66 | K | 90.7 | Very high | 93.8 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -108.2 | 31.8 | 179.4 | -62.3 | -179.7 | 162.9 | 164.2 | 0 | 113.7 | F61 E62 G68 S69 I71 | F61-K66 HydrophobicContact CD1-CD 4.38Å; F61-K66 HydrophobicContact CE1-CD 3.99Å; F61-K66 HydrophobicContact CE1-CG 4.07Å; F61-K66 PolarHBondContact O-N 3.27Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 CarbonylContact O-C 3.2Å; E62-K66 WeakPolarHBondContact O-CA 3.47Å; E62-K66 PolarHBondContact O-N 3.45Å; K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.12Å; K66-S69 WeakPolarHBondContact CB-OG 3.21Å; K66-S69 VanDerWaalsContact O-CB 3.29Å; K66-S69 WeakPolarHBondContact O-CB 3.42Å; K66-S69 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-OG 2.65Å; K66-I71 HydrophobicContact CD-CD1 4.42Å |
| 67 | N | 91.9 | Very high | 93.8 | Very high | 159 Ų | 159 | 67.3 Ų | 67.3 | 85% | 0.85 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 37.9 | 174.1 | -64.8 | -20.6 | 0 | 0 | 0 | 114.1 | S69 | N67-S69 PolarHBondContact O-N 3.29Š|
| 68 | G | 91.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 30.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q58 E62 L63 K66 | Q58-G68 PolarHBondContact NE2-O 3.34Å; E62-G68 WeakPolarHBondContact O-CA 3.47Å; E62-G68 PolarHBondContact O-N 3.33Å; L63-G68 PolarHBondContact O-N 3.23Å; K66-G68 PolarHBondContact O-N 3.38Å; K66-G68 VanDerWaalsContact O-N 3.12Å |
| 69 | S | 94.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 73.6 Ų | 73.6 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | trans | -66.5 | 151.9 | 172.7 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | Q58 E62 K66 N67 | Q58-S69 PolarHBondContact NE2-O 2.68Å; E62-S69 WeakPolarHBondContact CB-O 3.41Å; K66-S69 WeakPolarHBondContact CB-OG 3.21Å; K66-S69 VanDerWaalsContact O-CB 3.29Å; K66-S69 WeakPolarHBondContact O-CB 3.42Å; K66-S69 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-OG 2.65Å; N67-S69 PolarHBondContact O-N 3.29Å | ||
| 70 | W | 97 | Very high | 94 | Very high | 57 Ų | 57 | 77.2 Ų | 77.2 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | trans | -104 | 136.1 | 171.8 | -73.8 | 80.8 | 0 | 0 | 0 | 109.8 | Q56 Q58 S97 R99 | Q56-W70 HydrophobicContact CB-CB 4.41Å; Q56-W70 HydrophobicContact CB-CE3 3.96Å; Q58-W70 HydrophobicContact CB-CD2 4.06Å; Q58-W70 HydrophobicContact CB-CE3 3.84Å; Q58-W70 HydrophobicContact CB-CH2 4.38Å; Q58-W70 HydrophobicContact CB-CZ3 4.01Å; W70-S97 WeakPolarHBondContact CZ3-O 3.38Å; W70-R99 VanDerWaalsContact CD1-CZ 3.48Å; W70-R99 HydrophobicContact CD2-CG 4.28Å; W70-R99 VanDerWaalsContact CD2-NE 3.33Å; W70-R99 VanDerWaalsContact CE2-NH1 3.3Å; W70-R99 HydrophobicContact CE3-CG 3.6Å; W70-R99 HydrophobicContact CH2-CB 4.09Å; W70-R99 HydrophobicContact CH2-CG 3.9Å; W70-R99 HydrophobicContact CZ3-CB 3.9Å; W70-R99 HydrophobicContact CZ3-CG 3.39Å | ||
| 71 | I | 96.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 76.8 Ų | 76.8 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.3 | -179.1 | -53.1 | -60.3 | 0 | 0 | 0 | 109.4 | Q56 Y57 E62 K66 | Q56-I71 CarbonylContact C-O 3.52Å; Q56-I71 WeakPolarHBondContact CA-O 3.37Å; Q56-I71 VanDerWaalsContact CB-O 3.27Å; Q56-I71 WeakPolarHBondContact CB-O 3.31Å; Y57-I71 HydrophobicContact CD1-CB 4.34Å; Y57-I71 HydrophobicContact CE1-CB 3.88Å; Y57-I71 HydrophobicContact CE1-CG2 3.71Å; Y57-I71 HydrophobicContact CE2-CB 4.11Å; Y57-I71 HydrophobicContact CE2-CG2 4.4Å; Y57-I71 PolarHBondContact N-O 2.98Å; Y57-I71 PolarHBondContact O-N 3.18Å; Y57-I71 WeakPolarHBondContact OH-CG2 3.22Å; E62-I71 HydrophobicContact CG-CD1 4.13Å; E62-I71 HydrophobicContact CG-CG1 3.47Å; E62-I71 VanDerWaalsContact CG-CG1 3.47Å; K66-I71 HydrophobicContact CD-CD1 4.42Å |
| 72 | N | 97.7 | Very high | 94.9 | Very high | 80 Ų | 80 | 74 Ų | 74 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.2 | 172.7 | -71.8 | -32.3 | 0 | 0 | 0 | 109.7 | Q56 P74 Q77 | Q56-N72 VanDerWaalsContact CG-OD1 3.3Å; Q56-N72 WeakPolarHBondContact CG-OD1 3.4Å; Q56-N72 PolarHBondContact NE2-OD1 2.85Å; N72-P74 WeakPolarHBondContact O-CD 3.45Å; N72-Q77 HydrophobicContact CB-CG 4.36Å |
| 73 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -71.4 | 112.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | V55 Y57 E75 C76 Q77 L86 | V55-A73 HydrophobicContact CB-CB 4.34Å; V55-A73 HydrophobicContact CG1-CB 4.44Å; V55-A73 PolarHBondContact O-N 3.38Å; Y57-A73 HydrophobicContact CD1-CB 4.42Å; A73-E75 PolarHBondContact O-N 2.96Å; A73-C76 HydrophobicContact CB-CB 3.97Å; A73-C76 CarbonylContact O-C 3.5Å; A73-C76 PolarHBondContact O-N 2.89Å; A73-C76 VanDerWaalsContact O-N 3.13Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-NE2 2.04Å; A73-L86 HydrophobicContact CB-CD2 3.52Å | ||
| 74 | P | 96.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -64.5 | -42.6 | -166.8 | 23.7 | -30.1 | 0 | 0 | 0 | 112 | N72 C76 D89 | N72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-C76 PolarHBondContact O-N 2.92Å; P74-D89 WeakPolarHBondContact CD-OD1 3.49Å |
| 75 | E | 96.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 67.9 Ų | 67.9 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -73.1 | -6.8 | 179.1 | -60.1 | -53.5 | 135.6 | 0 | 0 | 113.5 | A73 I79 | A73-E75 PolarHBondContact O-N 2.96Å; E75-I79 WeakPolarHBondContact O-CG2 3.32Å |
| 76 | C | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -121.6 | 32.2 | -175.6 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | S54 V55 A73 P74 I79 C84 | S54-C76 WeakPolarHBondContact CA-O 3.4Å; V55-C76 HydrophobicContact CB-CB 3.9Å; V55-C76 HydrophobicContact CG2-CB 4Å; V55-C76 PolarHBondContact N-O 2.95Å; A73-C76 HydrophobicContact CB-CB 3.97Å; A73-C76 CarbonylContact O-C 3.5Å; A73-C76 PolarHBondContact O-N 2.89Å; A73-C76 VanDerWaalsContact O-N 3.13Å; P74-C76 PolarHBondContact O-N 2.92Å; C76-I79 HydrophobicContact CB-CD1 4.2Å; C76-C84 HydrophobicContact CB-CB 3.78Å; C76-C84 WeakPolarHBondContact CB-SG 3.3Å; C76-C84 WeakPolarHBondContact SG-CB 3.35Å; C76-C84 CovalentContact SG-SG 2Å; C76-C84 PolarHBondContact SG-SG 2.93Å |
| 77 | Q | 98.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -96.8 | 123.3 | 170 | -63.2 | -48.1 | -52.6 | 0 | 0 | 111.7 | S54 V55 N72 A73 I79 | S54-Q77 VanDerWaalsContact CB-OE1 3.28Å; S54-Q77 PolarHBondContact OG-OE1 3.29Å; V55-Q77 PolarHBondContact O-NE2 3.31Å; N72-Q77 HydrophobicContact CB-CG 4.36Å; A73-Q77 WeakPolarHBondContact O-CG 3.32Å; A73-Q77 PolarHBondContact O-NE2 2.04Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.41Å |
| 78 | R | 96.8 | Very high | 96.1 | Very high | 160 Ų | 160 | 61.3 Ų | 61.3 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 53.3 | 42.6 | 178.3 | -60.3 | -178.2 | 178 | 150.1 | 1.7 | 113.8 | L52 Y53 S54 | L52-R78 HydrophobicContact CB-CB 4.32Å; L52-R78 HydrophobicContact CD1-CB 4.2Å; Y53-R78 CarbonylContact O-C 3.59Å; Y53-R78 WeakPolarHBondContact O-CA 2.99Å; Y53-R78 PolarHBondContact O-N 2.86Å; S54-R78 PolarHBondContact OG-N 3.05Å |
| 79 | I | 97.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 145.8 | 176.9 | 60.9 | 172.5 | 0 | 0 | 0 | 111.1 | W40 L52 Y53 E75 C76 Q77 L81 S83 C84 | W40-I79 HydrophobicContact CH2-CD1 4.22Å; W40-I79 HydrophobicContact CZ2-CD1 4.43Å; L52-I79 CarbonylContact C-O 3.53Å; L52-I79 WeakPolarHBondContact CA-O 3.11Å; Y53-I79 WeakPolarHBondContact CD2-O 3.44Å; Y53-I79 PolarHBondContact N-O 3.42Å; Y53-I79 PolarHBondContact O-N 3.38Å; E75-I79 WeakPolarHBondContact O-CG2 3.32Å; C76-I79 HydrophobicContact CB-CD1 4.2Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.41Å; I79-L81 VanDerWaalsContact C-N 3.32Å; I79-L81 HydrophobicContact CD1-CB 4.47Å; I79-S83 WeakPolarHBondContact CD1-O 3.28Å; I79-C84 HydrophobicContact CD1-CB 4.18Å |
| 80 | P | 95.8 | Very high | 96 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -81.3 | -14.3 | 174.6 | 32.5 | -35.6 | 0 | 0 | 0 | 112.9 | T50 L52 | T50-P80 HydrophobicContact CG2-CB 3.97Å; L52-P80 HydrophobicContact CD2-CB 4.11Å |
| 81 | L | 97.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.6 | 146.4 | -178.9 | -63.8 | 92.8 | 0 | 0 | 0 | 110.9 | W40 Y53 I79 S83 | W40-L81 VanDerWaalsContact CZ2-O 3.32Å; W40-L81 WeakPolarHBondContact CZ2-O 3.14Å; Y53-L81 VanDerWaalsContact CD2-O 3.3Å; Y53-L81 WeakPolarHBondContact CD2-O 3.46Å; I79-L81 VanDerWaalsContact C-N 3.32Å; I79-L81 HydrophobicContact CD1-CB 4.47Å; L81-S83 PolarHBondContact O-N 2.93Å |
| 82 | T | 97.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -89.5 | 25.6 | 173.5 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | W40 Q42 Y53 | W40-T82 PolarHBondContact N-O 3.11Å; W40-T82 WeakPolarHBondContact O-CB 3.37Å; Q42-T82 HydrophobicContact CB-CG2 4.43Å; Y53-T82 HydrophobicContact CE2-CG2 3.95Å |
| 83 | S | 97.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 150.9 | 178.1 | 59.3 | 0 | 0 | 0 | 0 | 111 | L38 I79 L81 | L38-S83 CarbonylContact O-C 3.57Å; L38-S83 WeakPolarHBondContact O-CA 3.42Å; I79-S83 WeakPolarHBondContact CD1-O 3.28Å; L81-S83 PolarHBondContact O-N 2.93Å |
| 84 | C | 98.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 130.9 | -179.1 | 162.5 | 0 | 0 | 0 | 0 | 109.7 | V37 L38 W40 V55 C76 I79 L86 | V37-C84 CarbonylContact C-O 3.55Å; V37-C84 WeakPolarHBondContact CA-O 3.29Å; L38-C84 PolarHBondContact N-O 3.33Å; L38-C84 PolarHBondContact O-N 3.33Å; W40-C84 HydrophobicContact CH2-CB 3.78Å; W40-C84 HydrophobicContact CZ3-CB 3.95Å; V55-C84 HydrophobicContact CG2-CB 4.04Å; C76-C84 HydrophobicContact CB-CB 3.78Å; C76-C84 WeakPolarHBondContact CB-SG 3.3Å; C76-C84 WeakPolarHBondContact SG-CB 3.35Å; C76-C84 CovalentContact SG-SG 2Å; C76-C84 PolarHBondContact SG-SG 2.93Å; I79-C84 HydrophobicContact CD1-CB 4.18Å; C84-L86 WeakPolarHBondContact SG-CD2 3.37Å |
| 85 | D | 96.4 | Very high | 92.2 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.8 | 173.5 | -162.8 | -37 | 0 | 0 | 0 | 108.9 | R35 V37 T87 | R35-D85 IonicContact CZ-OD2 3.13Å; R35-D85 IonicContact NE-OD2 3.45Å; R35-D85 PolarHBondContact NE-OD2 2.8Å; R35-D85 IonicContact NH2-OD2 2.73Å; R35-D85 PolarHBondContact NH2-OD2 2.93Å; V37-D85 HydrophobicContact CG2-CB 4.44Å; D85-T87 WeakPolarHBondContact OD1-CB 3.4Å; D85-T87 PolarHBondContact OD1-N 3.27Å; D85-T87 VanDerWaalsContact OD1-N 3.07Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å |
| 86 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -105.7 | 14.3 | -177.6 | -66 | 175.3 | 0 | 0 | 0 | 111.9 | H36 L38 V55 A73 C84 F88 D89 L90 L98 | H36-L86 PolarHBondContact O-N 2.81Å; L38-L86 HydrophobicContact CB-CD1 3.85Å; L38-L86 HydrophobicContact CD2-CD1 4.14Å; V55-L86 HydrophobicContact CG1-CD1 4.2Å; V55-L86 HydrophobicContact CG1-CD2 4.1Å; A73-L86 HydrophobicContact CB-CD2 3.52Å; C84-L86 WeakPolarHBondContact SG-CD2 3.37Å; L86-F88 PolarHBondContact O-N 3.38Å; L86-F88 VanDerWaalsContact O-N 3.16Å; L86-D89 HydrophobicContact CB-CB 4.37Å; L86-D89 HydrophobicContact CD2-CB 4.14Å; L86-D89 WeakPolarHBondContact CD2-OD2 3.49Å; L86-D89 PolarHBondContact O-N 2.82Å; L86-D89 VanDerWaalsContact O-N 3.1Å; L86-L90 HydrophobicContact CB-CD1 3.88Å; L86-L90 HydrophobicContact CB-CG 3.96Å; L86-L90 HydrophobicContact CD1-CD1 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.04Å; L86-L98 HydrophobicContact CD1-CD1 3.95Å; L86-L98 HydrophobicContact CD1-CD2 4.06Å | ||
| 87 | T | 90.3 | Very high | 92 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.3 | -173.1 | -60.1 | 0 | 0 | 0 | 0 | 113 | M34 R35 H36 D85 | M34-T87 WeakPolarHBondContact O-CG2 3.34Å; R35-T87 WeakPolarHBondContact CA-OG1 3.4Å; H36-T87 PolarHBondContact N-OG1 2.85Å; D85-T87 WeakPolarHBondContact OD1-CB 3.4Å; D85-T87 PolarHBondContact OD1-N 3.27Å; D85-T87 VanDerWaalsContact OD1-N 3.07Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å |
| 88 | F | 89.1 | Confident | 91.9 | Very high | 196 Ų | 196 | 51.7 Ų | 51.7 | 86% | 0.86 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -26.6 | 179.6 | -66.1 | -70.7 | 0 | 0 | 0 | 113.5 | L86 | L86-F88 PolarHBondContact O-N 3.38Å; L86-F88 VanDerWaalsContact O-N 3.16Å |
| 89 | D | 93.1 | Very high | 92 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -36.3 | 176.5 | -63 | -74.3 | 0 | 0 | 0 | 111.7 | Y57 P74 L86 G91 | Y57-D89 HydrophobicContact CD1-CB 4.03Å; Y57-D89 HydrophobicContact CE1-CB 3.76Å; P74-D89 WeakPolarHBondContact CD-OD1 3.49Å; L86-D89 HydrophobicContact CB-CB 4.37Å; L86-D89 HydrophobicContact CD2-CB 4.14Å; L86-D89 WeakPolarHBondContact CD2-OD2 3.49Å; L86-D89 PolarHBondContact O-N 2.82Å; L86-D89 VanDerWaalsContact O-N 3.1Å; D89-G91 VanDerWaalsContact C-N 3.34Å; D89-G91 PolarHBondContact O-N 3.01Å |
| 90 | L | 90.7 | Very high | 92 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -95 | 64.8 | -177.8 | -50.6 | 179.9 | 0 | 0 | 0 | 110.4 | M29 H36 Y57 L86 Y96 L98 F116 R118 | M29-L90 HydrophobicContact CE-CD1 3.53Å; H36-L90 HydrophobicContact CB-CD1 4.27Å; Y57-L90 HydrophobicContact CD2-CD2 4.27Å; Y57-L90 HydrophobicContact CG-CD2 4.25Å; L86-L90 HydrophobicContact CB-CD1 3.88Å; L86-L90 HydrophobicContact CB-CG 3.96Å; L86-L90 HydrophobicContact CD1-CD1 4.35Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.04Å; L90-Y96 HydrophobicContact CB-CD2 4.45Å; L90-Y96 HydrophobicContact CB-CE2 4.1Å; L90-Y96 HydrophobicContact CD2-CD1 3.47Å; L90-Y96 VanDerWaalsContact CD2-CD1 3.47Å; L90-Y96 HydrophobicContact CD2-CD2 4.16Å; L90-Y96 HydrophobicContact CD2-CE1 3.72Å; L90-Y96 HydrophobicContact CD2-CE2 4.35Å; L90-Y96 HydrophobicContact CD2-CG 3.71Å; L90-L98 HydrophobicContact CD1-CD2 4.38Å; L90-L98 HydrophobicContact CD2-CD2 3.87Å; L90-F116 HydrophobicContact CD1-CD1 3.74Å; L90-F116 HydrophobicContact CD1-CE1 3.67Å; L90-R118 PolarHBondContact O-NE 3.04Å; L90-R118 PolarHBondContact O-NH2 3.39Å | ||
| 91 | G | 78.8 | Confident | 92.1 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | trans | -74.1 | -25.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D89 Y96 R118 | D89-G91 VanDerWaalsContact C-N 3.34Å; D89-G91 PolarHBondContact O-N 3.01Å; G91-Y96 PolarHBondContact N-OH 3.01Å; G91-R118 PolarHBondContact O-NH1 2.96Å | ||
| 92 | S | 79.7 | Confident | 92.1 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -104.7 | 154.6 | -176.9 | 92.8 | 0 | 0 | 0 | 0 | 112.8 | S94 Y96 R118 | S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.82Å; S92-S94 WeakPolarHBondContact OG-CB 3.49Å; S92-S94 PolarHBondContact OG-OG 2.94Å; S92-Y96 PolarHBondContact N-OH 2.87Å; S92-Y96 WeakPolarHBondContact O-CE2 3.3Å; S92-Y96 PolarHBondContact O-OH 2.86Å; S92-Y96 PolarHBondContact OG-OH 2.81Å; S92-R118 WeakPolarHBondContact O-CD 3.27Å |
| 93 | D | 77 | Confident | 92 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -82.5 | 71.8 | 178.3 | -67.9 | -19.6 | 0 | 0 | 0 | 109.3 | R118 N119 T147 | D93-R118 WeakPolarHBondContact OD1-CD 3.06Å; D93-R118 IonicContact OD1-CZ 2.75Å; D93-R118 IonicContact OD1-NE 3.62Å; D93-R118 IonicContact OD1-NH1 3.96Å; D93-R118 PolarHBondContact OD1-NH1 3.02Å; D93-N119 WeakPolarHBondContact CA-OD1 3.19Å; D93-N119 VanDerWaalsContact CB-OD1 3.23Å; D93-N119 WeakPolarHBondContact CB-OD1 3.09Å; D93-N119 PolarHBondContact O-ND2 2.87Å; D93-N119 VanDerWaalsContact O-ND2 3.07Å; D93-N119 PolarHBondContact O-OD1 2.82Å; D93-T147 WeakPolarHBondContact OD2-CB 3.02Å; D93-T147 WeakPolarHBondContact OD2-CG2 3.32Å; D93-T147 PolarHBondContact OD2-OG1 2.83Å |
| 94 | S | 82.6 | Confident | 91.7 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -144 | 178.1 | -173.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | S92 Y96 R118 | S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.82Å; S92-S94 WeakPolarHBondContact OG-CB 3.49Å; S92-S94 PolarHBondContact OG-OG 2.94Å; S94-Y96 WeakPolarHBondContact O-CD2 3.18Å; S94-Y96 WeakPolarHBondContact OG-CE2 3.5Å; S94-R118 PolarHBondContact O-N 3.09Å |
| 95 | D | 89.2 | Confident | 91.3 | Very high | 103 Ų | 103 | 40 Ų | 40 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.6 | 169.9 | -74.4 | -47.4 | 0 | 0 | 0 | 111.3 | N117 | D95-N117 WeakPolarHBondContact OD1-CB 3.36Å; D95-N117 PolarHBondContact OD1-ND2 3.29Å |
| 96 | Y | 93.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.7 | 175.6 | -72.1 | -87.7 | 0 | 0 | 0 | 111.4 | Y57 Q58 G59 L90 G91 S92 S94 F116 | Y57-Y96 HydrophobicContact CD2-CD1 4.27Å; Y57-Y96 HydrophobicContact CD2-CE1 4.23Å; Q58-Y96 WeakPolarHBondContact O-CA 3.45Å; G59-Y96 VanDerWaalsContact CA-CD1 3.47Å; L90-Y96 HydrophobicContact CB-CD2 4.45Å; L90-Y96 HydrophobicContact CB-CE2 4.1Å; L90-Y96 HydrophobicContact CD2-CD1 3.47Å; L90-Y96 VanDerWaalsContact CD2-CD1 3.47Å; L90-Y96 HydrophobicContact CD2-CD2 4.16Å; L90-Y96 HydrophobicContact CD2-CE1 3.72Å; L90-Y96 HydrophobicContact CD2-CE2 4.35Å; L90-Y96 HydrophobicContact CD2-CG 3.71Å; G91-Y96 PolarHBondContact N-OH 3.01Å; S92-Y96 PolarHBondContact N-OH 2.87Å; S92-Y96 WeakPolarHBondContact O-CE2 3.3Å; S92-Y96 PolarHBondContact O-OH 2.86Å; S92-Y96 PolarHBondContact OG-OH 2.81Å; S94-Y96 WeakPolarHBondContact O-CD2 3.18Å; S94-Y96 WeakPolarHBondContact OG-CE2 3.5Å; Y96-F116 PolarHBondContact N-O 3.41Å; Y96-F116 PolarHBondContact O-N 3.32Å |
| 97 | S | 95.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.9 | 161.4 | -71.1 | 0 | 0 | 0 | 0 | 109.1 | Y57 Q58 W70 | Y57-S97 CarbonylContact C-O 3.6Å; Y57-S97 WeakPolarHBondContact CA-O 3.34Å; Q58-S97 PolarHBondContact N-O 2.87Å; Q58-S97 PolarHBondContact O-N 3.06Å; W70-S97 WeakPolarHBondContact CZ3-O 3.38Å |
| 98 | L | 97.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 150.1 | 176.9 | -52.3 | 179.5 | 0 | 0 | 0 | 109.5 | M29 L38 L86 L90 K113 F114 F116 | M29-L98 HydrophobicContact CE-CD1 3.67Å; L38-L98 HydrophobicContact CD1-CD1 3.79Å; L38-L98 HydrophobicContact CD2-CB 4.4Å; L38-L98 HydrophobicContact CD2-CD1 4.44Å; L86-L98 HydrophobicContact CD1-CD1 3.95Å; L86-L98 HydrophobicContact CD1-CD2 4.06Å; L90-L98 HydrophobicContact CD1-CD2 4.38Å; L90-L98 HydrophobicContact CD2-CD2 3.87Å; L98-K113 CarbonylContact O-C 3.52Å; L98-K113 VanDerWaalsContact O-CA 3.3Å; L98-K113 WeakPolarHBondContact O-CA 3.24Å; L98-F114 HydrophobicContact CB-CB 4.45Å; L98-F114 WeakPolarHBondContact CB-O 3.3Å; L98-F114 HydrophobicContact CD1-CD1 4.25Å; L98-F114 PolarHBondContact N-O 3.42Å; L98-F114 PolarHBondContact O-N 2.81Å; L98-F116 HydrophobicContact CD1-CB 4.01Å; L98-F116 HydrophobicContact CG-CB 4.41Å |
| 99 | R | 98.1 | Very high | 91 | Very high | 44 Ų | 44 | 41 Ų | 41 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.2 | 169.5 | 67.7 | -177.7 | -171.8 | -169.6 | 0.4 | 112.9 | V55 Q56 W70 W111 A112 K113 | V55-R99 CarbonylContact C-O 3.56Å; V55-R99 WeakPolarHBondContact CA-O 3.39Å; Q56-R99 HydrophobicContact CB-CG 3.84Å; Q56-R99 PolarHBondContact N-O 2.85Å; Q56-R99 PolarHBondContact O-N 2.96Å; W70-R99 VanDerWaalsContact CD1-CZ 3.48Å; W70-R99 HydrophobicContact CD2-CG 4.28Å; W70-R99 VanDerWaalsContact CD2-NE 3.33Å; W70-R99 VanDerWaalsContact CE2-NH1 3.3Å; W70-R99 HydrophobicContact CE3-CG 3.6Å; W70-R99 HydrophobicContact CH2-CB 4.09Å; W70-R99 HydrophobicContact CH2-CG 3.9Å; W70-R99 HydrophobicContact CZ3-CB 3.9Å; W70-R99 HydrophobicContact CZ3-CG 3.39Å; R99-W111 HydrophobicContact CB-CB 4.28Å; R99-W111 HydrophobicContact CB-CD2 4.36Å; R99-W111 HydrophobicContact CB-CE3 3.8Å; R99-W111 HydrophobicContact CB-CZ3 4.48Å; R99-W111 HydrophobicContact CG-CD2 3.85Å; R99-W111 HydrophobicContact CG-CE3 3.38Å; R99-W111 HydrophobicContact CG-CG 4.38Å; R99-W111 HydrophobicContact CG-CZ3 3.76Å; R99-A112 CarbonylContact C-O 3.51Å; R99-A112 WeakPolarHBondContact CA-O 3.5Å; R99-A112 WeakPolarHBondContact CB-O 3.45Å; R99-K113 HydrophobicContact CB-CG 4.25Å |
| 100 | V | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.3 | 177 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | P24 V27 W40 Y53 S54 V55 W111 A112 | P24-V100 HydrophobicContact CB-CG1 3.96Å; P24-V100 HydrophobicContact CG-CG1 4Å; P24-V100 HydrophobicContact CG-CG2 4.2Å; V27-V100 HydrophobicContact CG2-CG1 3.97Å; W40-V100 HydrophobicContact CB-CG1 4.4Å; W40-V100 HydrophobicContact CD2-CB 4.46Å; W40-V100 HydrophobicContact CD2-CG1 4.19Å; W40-V100 HydrophobicContact CD2-CG2 3.84Å; W40-V100 HydrophobicContact CE3-CB 4.39Å; W40-V100 HydrophobicContact CE3-CG1 4.27Å; W40-V100 HydrophobicContact CE3-CG2 4.08Å; W40-V100 HydrophobicContact CG-CG1 4.26Å; W40-V100 HydrophobicContact CG-CG2 4.41Å; W40-V100 HydrophobicContact CH2-CG2 4.14Å; W40-V100 HydrophobicContact CZ2-CG2 3.9Å; W40-V100 HydrophobicContact CZ3-CG2 4.23Å; Y53-V100 HydrophobicContact CD1-CG2 4.38Å; S54-V100 WeakPolarHBondContact O-CA 3.13Å; V55-V100 HydrophobicContact CG2-CB 4.25Å; V55-V100 HydrophobicContact CG2-CG2 3.99Å; V100-W111 VanDerWaalsContact C-CE3 3.43Å; V100-A112 HydrophobicContact CG1-CB 4.15Å; V100-A112 PolarHBondContact N-O 2.97Å; V100-A112 PolarHBondContact O-N 2.83Å |
| 101 | R | 97.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.7 | 172.1 | 68.3 | 175.6 | 178 | -177.6 | -0 | 110.5 | Y53 S54 M108 W111 | Y53-R101 VanDerWaalsContact CA-O 3.31Å; Y53-R101 WeakPolarHBondContact CA-O 3.36Å; S54-R101 PolarHBondContact N-O 2.81Å; S54-R101 VanDerWaalsContact N-O 3.08Å; S54-R101 PolarHBondContact O-N 2.83Å; S54-R101 VanDerWaalsContact O-N 3.07Å; R101-M108 PolarHBondContact NH1-SD 2.81Å; R101-M108 VanDerWaalsContact NH1-SD 3.37Å; R101-W111 HydrophobicContact CB-CD2 3.89Å; R101-W111 HydrophobicContact CB-CE3 3.63Å; R101-W111 HydrophobicContact CB-CH2 4.39Å; R101-W111 HydrophobicContact CB-CZ3 3.92Å; R101-W111 VanDerWaalsContact CD-CZ2 3.46Å; R101-W111 HydrophobicContact CG-CD2 4.18Å; R101-W111 HydrophobicContact CG-CE3 3.86Å; R101-W111 HydrophobicContact CG-CH2 3.68Å; R101-W111 HydrophobicContact CG-CZ2 3.99Å; R101-W111 HydrophobicContact CG-CZ3 3.62Å |
| 102 | A | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 151.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L21 P24 P43 V51 L52 Y53 M108 S109 | L21-A102 HydrophobicContact CD2-CB 3.7Å; L21-A102 WeakPolarHBondContact CD2-O 3.34Å; L21-A102 HydrophobicContact CG-CB 4.4Å; P24-A102 HydrophobicContact CG-CB 4.25Å; P43-A102 HydrophobicContact CG-CB 4Å; V51-A102 HydrophobicContact CG1-CB 3.85Å; L52-A102 CarbonylContact O-C 3.54Å; L52-A102 WeakPolarHBondContact O-CA 3.33Å; Y53-A102 HydrophobicContact CD1-CB 4.02Å; Y53-A102 HydrophobicContact CE1-CB 3.8Å; A102-M108 WeakPolarHBondContact O-CA 3.47Å; A102-S109 PolarHBondContact N-OG 2.64Å; A102-S109 PolarHBondContact O-N 2.73Å; A102-S109 PolarHBondContact O-OG 2.75Å |
| 103 | Q | 94.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.5 | 173.2 | -177.7 | 178.4 | -11 | 0 | 0 | 109.2 | V51 L52 G105 K107 M108 | V51-Q103 WeakPolarHBondContact CA-O 3.09Å; L52-Q103 PolarHBondContact N-O 3.34Å; L52-Q103 PolarHBondContact O-N 2.94Å; Q103-G105 WeakPolarHBondContact CG-O 3.33Å; Q103-G105 PolarHBondContact NE2-O 2.91Å; Q103-K107 CarbonylContact C-O 3.55Å; Q103-K107 VanDerWaalsContact CA-O 3.31Å; Q103-K107 WeakPolarHBondContact CA-O 3.26Å; Q103-M108 HydrophobicContact CB-CG 4.45Å; Q103-M108 HydrophobicContact CG-CG 4.16Å |
| 104 | C | 92.7 | Very high | 94 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 100.7 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 107.9 | L21 C47 S106 K107 | L21-C104 HydrophobicContact CD1-CB 3.92Å; L21-C104 HydrophobicContact CD2-CB 3.85Å; C47-C104 VanDerWaalsContact CA-SG 3.52Å; C47-C104 HydrophobicContact CB-CB 4.03Å; C47-C104 WeakPolarHBondContact CB-SG 3.34Å; C47-C104 WeakPolarHBondContact SG-CB 3.48Å; C47-C104 CovalentContact SG-SG 2.02Å; C47-C104 PolarHBondContact SG-SG 3.46Å; C104-S106 PolarHBondContact O-N 2.82Å; C104-K107 PolarHBondContact N-O 2.94Å; C104-K107 WeakPolarHBondContact O-CB 2.88Å; C104-K107 PolarHBondContact O-N 2.93Å |
| 105 | G | 88.8 | Confident | 94.6 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -118.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q103 | Q103-G105 WeakPolarHBondContact CG-O 3.33Å; Q103-G105 PolarHBondContact NE2-O 2.91Å |
| 106 | S | 88.2 | Confident | 94.7 | Very high | 117 Ų | 117 | 49.4 Ų | 49.4 | 82% | 0.818 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13.3 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | C104 | C104-S106 PolarHBondContact O-N 2.82Š|
| 107 | K | 89.9 | Confident | 94.4 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.1 | -178.5 | -63.1 | -174.7 | 176.6 | -170.5 | 0 | 110.3 | W19 Q103 C104 | W19-K107 PolarHBondContact O-NZ 2.92Å; Q103-K107 CarbonylContact C-O 3.55Å; Q103-K107 VanDerWaalsContact CA-O 3.31Å; Q103-K107 WeakPolarHBondContact CA-O 3.26Å; C104-K107 PolarHBondContact N-O 2.94Å; C104-K107 WeakPolarHBondContact O-CB 2.88Å; C104-K107 PolarHBondContact O-N 2.93Å |
| 108 | M | 92.7 | Very high | 93.7 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.2 | 174.4 | -63.6 | -176.4 | -176.2 | 0 | 0 | 110.1 | R101 A102 Q103 | R101-M108 PolarHBondContact NH1-SD 2.81Å; R101-M108 VanDerWaalsContact NH1-SD 3.37Å; A102-M108 WeakPolarHBondContact O-CA 3.47Å; Q103-M108 HydrophobicContact CB-CG 4.45Å; Q103-M108 HydrophobicContact CG-CG 4.16Å |
| 109 | S | 95 | Very high | 92.4 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -83 | 166.9 | 171.9 | 75.5 | 0 | 0 | 0 | 0 | 111.8 | L21 P22 A102 | L21-S109 VanDerWaalsContact O-CA 3.23Å; L21-S109 WeakPolarHBondContact O-CA 3.17Å; L21-S109 WeakPolarHBondContact O-CB 3.24Å; P22-S109 VanDerWaalsContact O-CB 3.23Å; P22-S109 WeakPolarHBondContact O-CB 3.32Å; A102-S109 PolarHBondContact N-OG 2.64Å; A102-S109 PolarHBondContact O-N 2.73Å; A102-S109 PolarHBondContact O-OG 2.75Å |
| 110 | A | 95.6 | Very high | 91.1 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 162.3 | 158 | 0 | 0 | 0 | 0 | 0 | 111 | A23 | A23-A110 HydrophobicContact CB-CB 4.46Å; A23-A110 WeakPolarHBondContact CB-O 3.36Å |
| 111 | W | 97.2 | Very high | 89.9 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 25% | 0.254 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 127.9 | 176.2 | -69.7 | 102.4 | 0 | 0 | 0 | 111.1 | S54 Q56 R99 V100 R101 | S54-W111 WeakPolarHBondContact O-CZ3 3.24Å; Q56-W111 HydrophobicContact CB-CH2 4.33Å; Q56-W111 HydrophobicContact CB-CZ3 4.4Å; Q56-W111 HydrophobicContact CG-CH2 3.74Å; Q56-W111 HydrophobicContact CG-CZ2 4.45Å; Q56-W111 HydrophobicContact CG-CZ3 4.26Å; R99-W111 HydrophobicContact CB-CB 4.28Å; R99-W111 HydrophobicContact CB-CD2 4.36Å; R99-W111 HydrophobicContact CB-CE3 3.8Å; R99-W111 HydrophobicContact CB-CZ3 4.48Å; R99-W111 HydrophobicContact CG-CD2 3.85Å; R99-W111 HydrophobicContact CG-CE3 3.38Å; R99-W111 HydrophobicContact CG-CG 4.38Å; R99-W111 HydrophobicContact CG-CZ3 3.76Å; V100-W111 VanDerWaalsContact C-CE3 3.43Å; R101-W111 HydrophobicContact CB-CD2 3.89Å; R101-W111 HydrophobicContact CB-CE3 3.63Å; R101-W111 HydrophobicContact CB-CH2 4.39Å; R101-W111 HydrophobicContact CB-CZ3 3.92Å; R101-W111 VanDerWaalsContact CD-CZ2 3.46Å; R101-W111 HydrophobicContact CG-CD2 4.18Å; R101-W111 HydrophobicContact CG-CE3 3.86Å; R101-W111 HydrophobicContact CG-CH2 3.68Å; R101-W111 HydrophobicContact CG-CZ2 3.99Å; R101-W111 HydrophobicContact CG-CZ3 3.62Å |
| 112 | A | 97.3 | Very high | 88.7 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A23 P24 V27 R99 V100 | A23-A112 HydrophobicContact CB-CB 4.41Å; P24-A112 HydrophobicContact CB-CB 4.22Å; V27-A112 HydrophobicContact CG2-CB 3.78Å; R99-A112 CarbonylContact C-O 3.51Å; R99-A112 WeakPolarHBondContact CA-O 3.5Å; R99-A112 WeakPolarHBondContact CB-O 3.45Å; V100-A112 HydrophobicContact CG1-CB 4.15Å; V100-A112 PolarHBondContact N-O 2.97Å; V100-A112 PolarHBondContact O-N 2.83Å |
| 113 | K | 97 | Very high | 87.7 | Confident | 153 Ų | 153 | 58.1 Ų | 58.1 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 149.4 | -177.1 | -63.6 | -178.8 | -178.4 | 178.4 | 0 | 111.1 | L98 R99 | L98-K113 CarbonylContact O-C 3.52Å; L98-K113 VanDerWaalsContact O-CA 3.3Å; L98-K113 WeakPolarHBondContact O-CA 3.24Å; R99-K113 HydrophobicContact CB-CG 4.25Å |
| 114 | F | 96.6 | Very high | 87 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 122 | 177 | -176.8 | -94.5 | 0 | 0 | 0 | 110.5 | V27 M29 L38 L98 F116 | V27-F114 HydrophobicContact CB-CB 4.14Å; V27-F114 HydrophobicContact CB-CD2 4.21Å; V27-F114 HydrophobicContact CB-CG 4.44Å; V27-F114 HydrophobicContact CG1-CB 3.64Å; V27-F114 HydrophobicContact CG1-CD2 4.17Å; V27-F114 HydrophobicContact CG1-CG 3.97Å; V27-F114 VanDerWaalsContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CD2 3.27Å; V27-F114 WeakPolarHBondContact O-CE2 3.3Å; M29-F114 HydrophobicContact CB-CE1 3.62Å; M29-F114 HydrophobicContact CB-CZ 4.04Å; L38-F114 HydrophobicContact CD1-CD1 4.18Å; L98-F114 HydrophobicContact CB-CB 4.45Å; L98-F114 WeakPolarHBondContact CB-O 3.3Å; L98-F114 HydrophobicContact CD1-CD1 4.25Å; L98-F114 PolarHBondContact N-O 3.42Å; L98-F114 PolarHBondContact O-N 2.81Å; F114-F116 HydrophobicContact CD1-CB 4.29Å; F114-F116 HydrophobicContact CE1-CB 4.11Å |
| 115 | P | 94.9 | Very high | 86.8 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 140.1 | 172.4 | 32.5 | -32.6 | 0 | 0 | 0 | 110.6 | ||
| 116 | F | 91.6 | Very high | 86.8 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 128.2 | 178.2 | 173.1 | -112.7 | 0 | 0 | 0 | 110.2 | M29 H36 L90 Y96 L98 F114 R118 I121 | M29-F116 HydrophobicContact CB-CD2 4.01Å; M29-F116 HydrophobicContact CB-CE2 4.28Å; M29-F116 HydrophobicContact CE-CB 4.4Å; M29-F116 HydrophobicContact CE-CD1 3.57Å; M29-F116 HydrophobicContact CE-CD2 3.86Å; M29-F116 HydrophobicContact CE-CE1 3.58Å; M29-F116 HydrophobicContact CE-CE2 3.89Å; M29-F116 HydrophobicContact CE-CG 3.67Å; M29-F116 HydrophobicContact CE-CZ 3.7Å; M29-F116 HydrophobicContact CG-CD2 3.72Å; M29-F116 HydrophobicContact CG-CE2 3.58Å; M29-F116 HydrophobicContact CG-CG 4.43Å; M29-F116 HydrophobicContact CG-CZ 4.17Å; H36-F116 AromaticContact CG-CZ 3.98Å; H36-F116 AromaticContact ND1-CZ 3.5Å; H36-F116 WeakPolarHBondContact ND1-CZ 3.43Å; L90-F116 HydrophobicContact CD1-CD1 3.74Å; L90-F116 HydrophobicContact CD1-CE1 3.67Å; Y96-F116 PolarHBondContact N-O 3.41Å; Y96-F116 PolarHBondContact O-N 3.32Å; L98-F116 HydrophobicContact CD1-CB 4.01Å; L98-F116 HydrophobicContact CG-CB 4.41Å; F114-F116 HydrophobicContact CD1-CB 4.29Å; F114-F116 HydrophobicContact CE1-CB 4.11Å; F116-R118 HydrophobicContact CE1-CB 4.03Å; F116-R118 HydrophobicContact CE1-CG 4.35Å; F116-R118 HydrophobicContact CZ-CB 4.46Å; F116-I121 HydrophobicContact CE2-CD1 3.86Å; F116-I121 HydrophobicContact CZ-CD1 3.48Å; F116-I121 VanDerWaalsContact CZ-CD1 3.48Å |
| 117 | N | 86.4 | Confident | 86.8 | Confident | 42 Ų | 42 | 58 Ų | 58 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.3 | 175.3 | -176.8 | -43.3 | 0 | 0 | 0 | 108.5 | D95 N119 N120 | D95-N117 WeakPolarHBondContact OD1-CB 3.36Å; D95-N117 PolarHBondContact OD1-ND2 3.29Å; N117-N119 PolarHBondContact O-N 3.5Å; N117-N119 VanDerWaalsContact OD1-CA 3.3Å; N117-N119 WeakPolarHBondContact OD1-CA 3.46Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.13Å; N117-N120 PolarHBondContact O-N 3.13Å; N117-N120 PolarHBondContact OD1-N 2.83Å |
| 118 | R | 80.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -71.5 | -20.9 | -179 | -164.1 | -175 | -174.4 | -152.3 | 18.1 | 112.8 | H36 L90 G91 S92 D93 S94 F116 N120 I121 | H36-R118 PolarHBondContact NE2-NE 2.9Å; L90-R118 PolarHBondContact O-NE 3.04Å; L90-R118 PolarHBondContact O-NH2 3.39Å; G91-R118 PolarHBondContact O-NH1 2.96Å; S92-R118 WeakPolarHBondContact O-CD 3.27Å; D93-R118 WeakPolarHBondContact OD1-CD 3.06Å; D93-R118 IonicContact OD1-CZ 2.75Å; D93-R118 IonicContact OD1-NE 3.62Å; D93-R118 IonicContact OD1-NH1 3.96Å; D93-R118 PolarHBondContact OD1-NH1 3.02Å; S94-R118 PolarHBondContact O-N 3.09Å; F116-R118 HydrophobicContact CE1-CB 4.03Å; F116-R118 HydrophobicContact CE1-CG 4.35Å; F116-R118 HydrophobicContact CZ-CB 4.46Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 3.15Å; R118-I121 HydrophobicContact CB-CD1 4.42Å; R118-I121 HydrophobicContact CG-CD1 4.02Å; R118-I121 VanDerWaalsContact O-CD1 3.28Å; R118-I121 WeakPolarHBondContact O-CD1 3.38Å |
| 119 | N | 72 | Confident | 87 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -72.2 | -23.4 | 179.9 | -60.9 | -29.6 | 0 | 0 | 0 | 113.3 | D93 N117 I121 L196 | D93-N119 WeakPolarHBondContact CA-OD1 3.19Å; D93-N119 VanDerWaalsContact CB-OD1 3.23Å; D93-N119 WeakPolarHBondContact CB-OD1 3.09Å; D93-N119 PolarHBondContact O-ND2 2.87Å; D93-N119 VanDerWaalsContact O-ND2 3.07Å; D93-N119 PolarHBondContact O-OD1 2.82Å; N117-N119 PolarHBondContact O-N 3.5Å; N117-N119 VanDerWaalsContact OD1-CA 3.3Å; N117-N119 WeakPolarHBondContact OD1-CA 3.46Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.13Å; N119-I121 PolarHBondContact O-N 2.94Å; N119-I121 VanDerWaalsContact O-N 3.15Å; N119-L196 HydrophobicContact CB-CD1 3.36Å; N119-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N119-L196 WeakPolarHBondContact OD1-CD1 3.3Å |
| 120 | N | 70.3 | Confident | 87 | Confident | 135 Ų | 135 | 59.7 Ų | 59.7 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -83.8 | 20.4 | -177.3 | -74.7 | -8.2 | 0 | 0 | 0 | 113.7 | N117 R118 | N117-N120 PolarHBondContact O-N 3.13Å; N117-N120 PolarHBondContact OD1-N 2.83Å; R118-N120 VanDerWaalsContact C-N 3.3Å; R118-N120 PolarHBondContact O-N 3.15Å |
| 121 | I | 73 | Confident | 86.9 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | trans | -110.3 | 126.3 | -172.2 | -57.7 | 158.8 | 0 | 0 | 0 | 110.2 | S31 F116 R118 N119 P123 V198 | S31-I121 WeakPolarHBondContact OG-CD1 3.25Å; S31-I121 WeakPolarHBondContact OG-CG1 3.2Å; F116-I121 HydrophobicContact CE2-CD1 3.86Å; F116-I121 HydrophobicContact CZ-CD1 3.48Å; F116-I121 VanDerWaalsContact CZ-CD1 3.48Å; R118-I121 HydrophobicContact CB-CD1 4.42Å; R118-I121 HydrophobicContact CG-CD1 4.02Å; R118-I121 VanDerWaalsContact O-CD1 3.28Å; R118-I121 WeakPolarHBondContact O-CD1 3.38Å; N119-I121 PolarHBondContact O-N 2.94Å; N119-I121 VanDerWaalsContact O-N 3.15Å; I121-P123 WeakPolarHBondContact O-CD 3.32Å; I121-V198 WeakPolarHBondContact O-CG1 3.23Å | ||
| 122 | T | 71.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 123.5 | 172.4 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | Q199 | T122-Q199 WeakPolarHBondContact CG2-O 3.32Š|
| 123 | P | 75.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.032 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 157.2 | 178 | 24.5 | -31 | 0 | 0 | 0 | 111.5 | I121 V192 L194 S200 | I121-P123 WeakPolarHBondContact O-CD 3.32Å; P123-V192 HydrophobicContact CB-CB 4.32Å; P123-V192 HydrophobicContact CB-CG1 4.03Å; P123-V192 HydrophobicContact CG-CB 4.4Å; P123-V192 HydrophobicContact CG-CG1 4.29Å; P123-L194 HydrophobicContact CB-CD1 4.03Å; P123-L194 HydrophobicContact CB-CG 4.16Å; P123-L194 HydrophobicContact CG-CD1 4.12Å; P123-L194 HydrophobicContact CG-CG 4.1Å; P123-S200 VanDerWaalsContact O-CB 3.26Å; P123-S200 WeakPolarHBondContact O-CB 3.44Å |
| 124 | P | 80.4 | Confident | 85.8 | Confident | 21 Ų | 21 | 55 Ų | 55 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 147.7 | 174.2 | 1.1 | 3.4 | 0 | 0 | 0 | 111.3 | N33 F144 S200 | N33-P124 HydrophobicContact CB-CB 3.93Å; N33-P124 HydrophobicContact CB-CG 3.8Å; N33-P124 WeakPolarHBondContact OD1-CA 3.11Å; N33-P124 VanDerWaalsContact OD1-CB 3.3Å; N33-P124 WeakPolarHBondContact OD1-CB 3.23Å; P124-F144 HydrophobicContact CG-CE1 4.08Å; P124-S200 WeakPolarHBondContact O-CB 3.3Å |
| 125 | V | 87.5 | Confident | 85.5 | Confident | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 129.9 | 162.4 | 177 | 0 | 0 | 0 | 0 | 108.2 | T203 | V125-T203 HydrophobicContact CG1-CG2 3.74Š|
| 126 | P | 89.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 144.7 | -175.4 | 26.2 | -31.6 | 0 | 0 | 0 | 112.4 | V141 F144 A190 V192 T203 | P126-V141 HydrophobicContact CB-CG1 4Å; P126-F144 HydrophobicContact CB-CE2 3.77Å; P126-F144 HydrophobicContact CB-CZ 3.73Å; P126-A190 HydrophobicContact CG-CB 4.15Å; P126-V192 HydrophobicContact CB-CG2 3.94Å; P126-V192 HydrophobicContact CG-CG2 3.95Å; P126-T203 HydrophobicContact CG-CG2 3.75Å; P126-T203 WeakPolarHBondContact O-CG2 3.34Å |
| 127 | E | 89.1 | Confident | 85.5 | Confident | 111 Ų | 111 | 50.6 Ų | 50.6 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -81 | 123.9 | 167.6 | -73 | -176.9 | -161.4 | 0 | 0 | 109.7 | R142 | E127-R142 HydrophobicContact CB-CG 4.48Å; E127-R142 IonicContact OE1-NE 3.51Å; E127-R142 IonicContact OE1-NH2 2.68Å; E127-R142 IonicContact OE2-CZ 3.29Å; E127-R142 IonicContact OE2-NE 2.65Å; E127-R142 PolarHBondContact OE2-NE 2.89Å; E127-R142 IonicContact OE2-NH2 3.34Å; E127-R142 PolarHBondContact OE2-NH2 2.83Å |
| 128 | L | 92.3 | Very high | 86 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.4 | -172.8 | -120.4 | 147.8 | 0 | 0 | 0 | 110.7 | V130 V139 V188 A190 T203 | L128-V130 HydrophobicContact CD2-CG2 3.53Å; L128-V139 HydrophobicContact CD2-CG1 3.46Å; L128-V139 VanDerWaalsContact CD2-CG1 3.46Å; L128-V188 HydrophobicContact CD2-CG1 3.96Å; L128-A190 HydrophobicContact CD1-CB 3.33Å; L128-A190 HydrophobicContact CG-CB 4.4Å; L128-T203 HydrophobicContact CB-CG2 4.42Å; L128-T203 HydrophobicContact CD1-CG2 3.53Å; L128-T203 WeakPolarHBondContact CD1-OG1 3.47Å |
| 129 | R | 93.9 | Very high | 86.7 | Confident | 184 Ų | 184 | 49.5 Ų | 49.5 | 69% | 0.694 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.4 | 166.8 | -65.8 | -174 | 178.7 | -161.3 | -0.7 | 109.1 | S140 | R129-S140 PolarHBondContact N-O 2.82Å; R129-S140 PolarHBondContact O-N 3.09Å |
| 130 | V | 94.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.6 | -176.2 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | L128 L137 L138 V188 H206 V208 | L128-V130 HydrophobicContact CD2-CG2 3.53Å; V130-L137 HydrophobicContact CG1-CD1 3.43Å; V130-L137 VanDerWaalsContact CG1-CD1 3.43Å; V130-L137 HydrophobicContact CG1-CG 4.26Å; V130-L138 WeakPolarHBondContact CA-O 2.94Å; V130-V188 HydrophobicContact CG1-CG2 3.98Å; V130-V188 HydrophobicContact CG2-CB 4.03Å; V130-V188 HydrophobicContact CG2-CG1 4.33Å; V130-V188 HydrophobicContact CG2-CG2 4.24Å; V130-H206 HydrophobicContact CB-CB 4.25Å; V130-H206 HydrophobicContact CG2-CB 3.83Å; V130-V208 HydrophobicContact CG1-CG1 4.06Å; V130-V208 HydrophobicContact CG1-CG2 4.01Å |
| 131 | T | 93.7 | Very high | 88.7 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.7 | 178.3 | 51 | 0 | 0 | 0 | 0 | 110.3 | L138 | T131-L138 PolarHBondContact N-O 3Å; T131-L138 PolarHBondContact O-N 3.29Å |
| 132 | A | 92.6 | Very high | 89.1 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V136 V208 I210 | A132-V136 WeakPolarHBondContact CA-O 3.42Å; A132-V208 HydrophobicContact CB-CB 4.38Å; A132-V208 HydrophobicContact CB-CG2 4.14Å; A132-I210 HydrophobicContact CB-CD1 3.88Å |
| 133 | A | 89.1 | Confident | 89.4 | Confident | 54 Ų | 54 | 53 Ų | 53 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 95.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | D135 V136 L138 | A133-D135 PolarHBondContact O-N 3.06Å; A133-V136 PolarHBondContact N-O 2.94Å; A133-V136 WeakPolarHBondContact O-CB 3.4Å; A133-V136 PolarHBondContact O-N 2.87Å; A133-L138 HydrophobicContact CB-CD1 4.37Å |
| 134 | G | 87.2 | Confident | 89.4 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | -115.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I210 G212 | G134-I210 WeakPolarHBondContact O-CG2 3.3Å; G134-G212 CarbonylContact C-O 3.47Å; G134-G212 WeakPolarHBondContact CA-O 3.27Å; G134-G212 PolarHBondContact O-N 2.85Å |
| 135 | D | 89.4 | Confident | 88.9 | Confident | 50 Ų | 50 | 56 Ų | 56 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 10.5 | 172.6 | 68.8 | -36.2 | 0 | 0 | 0 | 113.8 | A133 A179 L180 | A133-D135 PolarHBondContact O-N 3.06Å; D135-A179 PolarHBondContact O-N 3.01Å; D135-L180 WeakPolarHBondContact O-CB 3.35Å; D135-L180 PolarHBondContact O-N 3.1Å |
| 136 | V | 92.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.7 | 179.9 | -173 | 0 | 0 | 0 | 0 | 110.7 | A132 A133 L138 Q176 V177 A178 | A132-V136 WeakPolarHBondContact CA-O 3.42Å; A133-V136 PolarHBondContact N-O 2.94Å; A133-V136 WeakPolarHBondContact O-CB 3.4Å; A133-V136 PolarHBondContact O-N 2.87Å; V136-L138 HydrophobicContact CG1-CD2 4.05Å; V136-Q176 HydrophobicContact CG1-CB 4.46Å; V136-V177 CarbonylContact C-O 3.52Å; V136-V177 WeakPolarHBondContact CA-O 3.26Å; V136-A178 HydrophobicContact CG2-CB 3.99Å |
| 137 | L | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.9 | 171 | -176.2 | 69 | 0 | 0 | 0 | 109.5 | V130 V139 I154 V177 L180 V188 V208 | V130-L137 HydrophobicContact CG1-CD1 3.43Å; V130-L137 VanDerWaalsContact CG1-CD1 3.43Å; V130-L137 HydrophobicContact CG1-CG 4.26Å; L137-V139 HydrophobicContact CD2-CG2 4.37Å; L137-V139 HydrophobicContact CG-CG2 4.18Å; L137-I154 HydrophobicContact CD2-CD1 4.09Å; L137-I154 HydrophobicContact CD2-CG2 3.99Å; L137-V177 HydrophobicContact CB-CB 4.33Å; L137-V177 PolarHBondContact N-O 2.56Å; L137-V177 PolarHBondContact O-N 3.46Å; L137-L180 HydrophobicContact CB-CD1 3.41Å; L137-L180 VanDerWaalsContact CB-CD1 3.41Å; L137-L180 HydrophobicContact CD2-CD1 4.22Å; L137-L180 HydrophobicContact CG-CD1 4.4Å; L137-V188 HydrophobicContact CD2-CG2 3.8Å; L137-V208 HydrophobicContact CD1-CG2 3.3Å |
| 138 | L | 95.4 | Very high | 87 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.2 | 176 | -57.2 | 173.8 | 0 | 0 | 0 | 108.4 | V130 T131 A133 V136 V174 Q176 | V130-L138 WeakPolarHBondContact CA-O 2.94Å; T131-L138 PolarHBondContact N-O 3Å; T131-L138 PolarHBondContact O-N 3.29Å; A133-L138 HydrophobicContact CB-CD1 4.37Å; V136-L138 HydrophobicContact CG1-CD2 4.05Å; L138-V174 HydrophobicContact CD2-CG1 4.49Å; L138-Q176 HydrophobicContact CD2-CB 4.08Å; L138-Q176 HydrophobicContact CD2-CG 3.57Å |
| 139 | V | 95.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.4 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 108 | L128 L137 V141 V152 I154 V174 L175 V188 | L128-V139 HydrophobicContact CD2-CG1 3.46Å; L128-V139 VanDerWaalsContact CD2-CG1 3.46Å; L137-V139 HydrophobicContact CD2-CG2 4.37Å; L137-V139 HydrophobicContact CG-CG2 4.18Å; V139-V141 HydrophobicContact CG1-CG2 4.44Å; V139-V152 HydrophobicContact CG1-CG1 4.12Å; V139-V152 HydrophobicContact CG1-CG2 4.45Å; V139-I154 HydrophobicContact CG2-CD1 4.46Å; V139-V174 CarbonylContact O-C 3.56Å; V139-V174 WeakPolarHBondContact O-CA 3.43Å; V139-L175 HydrophobicContact CB-CB 4.25Å; V139-L175 PolarHBondContact N-O 2.93Å; V139-L175 PolarHBondContact O-N 2.64Å; V139-V188 HydrophobicContact CG1-CG1 4.28Å; V139-V188 HydrophobicContact CG2-CG1 4.12Å; V139-V188 HydrophobicContact CG2-CG2 4.27Å |
| 140 | S | 94.4 | Very high | 86.8 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.5 | 179 | -50.5 | 0 | 0 | 0 | 0 | 111 | R129 E173 | R129-S140 PolarHBondContact N-O 2.82Å; R129-S140 PolarHBondContact O-N 3.09Å; S140-E173 VanDerWaalsContact CA-O 3.29Å; S140-E173 WeakPolarHBondContact CA-O 3.38Å |
| 141 | V | 90.6 | Very high | 86.8 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.7 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | P126 V139 F144 T150 M168 E173 | P126-V141 HydrophobicContact CB-CG1 4Å; V139-V141 HydrophobicContact CG1-CG2 4.44Å; V141-F144 HydrophobicContact CG1-CD2 4.28Å; V141-F144 HydrophobicContact CG1-CE2 3.76Å; V141-T150 HydrophobicContact CG1-CG2 4.19Å; V141-T150 HydrophobicContact CG2-CG2 4.24Å; V141-M168 HydrophobicContact CB-CE 4.41Å; V141-M168 HydrophobicContact CG2-CE 4.16Å; V141-M168 HydrophobicContact CG2-SD 4.06Å; V141-E173 PolarHBondContact N-O 2.99Å |
| 142 | R | 82.4 | Confident | 86.9 | Confident | 158 Ų | 158 | 47.4 Ų | 47.4 | 60% | 0.596 | 26% | 0.26 | S | S | * | . | trans | -63.4 | 150.8 | 173.3 | -68.6 | -165.9 | -172.3 | -142.1 | 11.6 | 110.9 | E127 F144 | E127-R142 HydrophobicContact CB-CG 4.48Å; E127-R142 IonicContact OE1-NE 3.51Å; E127-R142 IonicContact OE1-NH2 2.68Å; E127-R142 IonicContact OE2-CZ 3.29Å; E127-R142 IonicContact OE2-NE 2.65Å; E127-R142 PolarHBondContact OE2-NE 2.89Å; E127-R142 IonicContact OE2-NH2 3.34Å; E127-R142 PolarHBondContact OE2-NH2 2.83Å; R142-F144 WeakPolarHBondContact O-CD2 3.35Å; R142-F144 WeakPolarHBondContact O-CE2 3.39Å; R142-F144 PolarHBondContact O-N 3.2Å | ||
| 143 | K | 76.4 | Confident | 87.1 | Confident | 144 Ų | 144 | 46 Ų | 46 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | trans | -58.7 | 131.8 | 173.5 | -79.8 | 178.2 | 161.5 | 135.9 | 0 | 111.6 | E173 | K143-E173 HydrophobicContact CD-CG 4.47Å; K143-E173 VanDerWaalsContact CD-OE1 3.26Å; K143-E173 WeakPolarHBondContact CD-OE1 3.46Å; K143-E173 WeakPolarHBondContact CE-OE1 3.19Å; K143-E173 HydrophobicContact CG-CG 3.88Å; K143-E173 WeakPolarHBondContact CG-OE1 3.44Å; K143-E173 IonicContact NZ-OE1 2.72Å; K143-E173 PolarHBondContact NZ-OE1 3.16Å | ||
| 144 | F | 75.3 | Confident | 87.5 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | trans | -106.4 | 165 | 169.7 | -77 | -85.6 | 0 | 0 | 0 | 110.4 | P124 P126 V141 R142 A148 V192 | P124-F144 HydrophobicContact CG-CE1 4.08Å; P126-F144 HydrophobicContact CB-CE2 3.77Å; P126-F144 HydrophobicContact CB-CZ 3.73Å; V141-F144 HydrophobicContact CG1-CD2 4.28Å; V141-F144 HydrophobicContact CG1-CE2 3.76Å; R142-F144 WeakPolarHBondContact O-CD2 3.35Å; R142-F144 WeakPolarHBondContact O-CE2 3.39Å; R142-F144 PolarHBondContact O-N 3.2Å; F144-A148 HydrophobicContact CB-CB 3.6Å; F144-A148 HydrophobicContact CG-CB 4.3Å; F144-V192 HydrophobicContact CD1-CG1 4.35Å; F144-V192 HydrophobicContact CD1-CG2 4.19Å; F144-V192 HydrophobicContact CD2-CG2 4.13Å; F144-V192 HydrophobicContact CE1-CG2 3.74Å; F144-V192 HydrophobicContact CE2-CG2 3.68Å; F144-V192 HydrophobicContact CG-CG2 4.38Å; F144-V192 HydrophobicContact CZ-CG2 3.48Å; F144-V192 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 145 | P | 69.6 | Low | 87.9 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | trans | -54.2 | 152.3 | 169.1 | -24.2 | 35 | 0 | 0 | 0 | 111.5 | M34 T147 A148 A170 | M34-P145 HydrophobicContact CE-CG 4.21Å; P145-T147 PolarHBondContact O-N 2.88Å; P145-A148 WeakPolarHBondContact O-CB 3.2Å; P145-A148 PolarHBondContact O-N 3.07Å; P145-A170 VanDerWaalsContact O-CB 3.24Å; P145-A170 WeakPolarHBondContact O-CB 3.48Å | ||
| 146 | L | 72.4 | Confident | 88.2 | Confident | 161 Ų | 161 | 43.4 Ų | 43.4 | 84% | 0.843 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.7 | -175.8 | -69.6 | 169.8 | 0 | 0 | 0 | 114.6 | A148 A170 | L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A170 HydrophobicContact CD2-CB 4.5Å |
| 147 | T | 72.5 | Confident | 88.3 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.239 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1.8 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 114 | D93 P145 N195 | D93-T147 WeakPolarHBondContact OD2-CB 3.02Å; D93-T147 WeakPolarHBondContact OD2-CG2 3.32Å; D93-T147 PolarHBondContact OD2-OG1 2.83Å; P145-T147 PolarHBondContact O-N 2.88Å; T147-N195 PolarHBondContact O-N 2.02Å; T147-N195 PolarHBondContact O-OD1 2.89Å |
| 148 | A | 82.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F144 P145 L146 A170 V192 L194 | F144-A148 HydrophobicContact CB-CB 3.6Å; F144-A148 HydrophobicContact CG-CB 4.3Å; P145-A148 WeakPolarHBondContact O-CB 3.2Å; P145-A148 PolarHBondContact O-N 3.07Å; L146-A148 VanDerWaalsContact C-N 3.31Å; A148-A170 WeakPolarHBondContact O-CB 3.04Å; A148-A170 PolarHBondContact O-N 3.07Å; A148-V192 HydrophobicContact CB-CG1 3.9Å; A148-L194 HydrophobicContact CB-CD2 3.76Å |
| 149 | V | 89.3 | Confident | 88.1 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.4 | 170 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | M151 V193 | V149-M151 HydrophobicContact CG1-CE 4.06Å; V149-V193 PolarHBondContact N-O 3.08Å; V149-V193 PolarHBondContact O-N 3.38Å |
| 150 | T | 92.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | V141 V152 M168 A190 K191 | V141-T150 HydrophobicContact CG1-CG2 4.19Å; V141-T150 HydrophobicContact CG2-CG2 4.24Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; T150-M168 PolarHBondContact N-O 2.93Å; T150-M168 PolarHBondContact O-N 3.4Å; T150-A190 HydrophobicContact CG2-CB 3.91Å; T150-K191 WeakPolarHBondContact CA-O 3.2Å |
| 151 | M | 94 | Very high | 87.6 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.6 | 174.6 | -66.9 | -65.8 | -178.9 | 0 | 0 | 109.1 | V149 S167 A190 K191 V193 | V149-M151 HydrophobicContact CG1-CE 4.06Å; M151-S167 PolarHBondContact SD-OG 3.42Å; M151-A190 CarbonylContact O-C 3.46Å; M151-A190 WeakPolarHBondContact O-CA 3.44Å; M151-A190 VanDerWaalsContact O-CB 3.28Å; M151-A190 WeakPolarHBondContact O-CB 3.13Å; M151-K191 HydrophobicContact CB-CG 4.05Å; M151-K191 PolarHBondContact N-O 3.34Å; M151-K191 PolarHBondContact O-N 2.68Å; M151-V193 HydrophobicContact CG-CG2 3.87Å |
| 152 | V | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.8 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | V139 T150 I154 D165 Y166 M168 L175 V188 A190 | V139-V152 HydrophobicContact CG1-CG1 4.12Å; V139-V152 HydrophobicContact CG1-CG2 4.45Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; V152-I154 HydrophobicContact CG1-CD1 4.23Å; V152-I154 HydrophobicContact CG1-CG1 3.94Å; V152-D165 CarbonylContact O-C 3.59Å; V152-D165 WeakPolarHBondContact O-CA 3.36Å; V152-Y166 PolarHBondContact N-O 3.04Å; V152-Y166 PolarHBondContact O-N 2.96Å; V152-M168 HydrophobicContact CG2-CG 4.2Å; V152-M168 HydrophobicContact CG2-SD 3.56Å; V152-M168 VanDerWaalsContact CG2-SD 3.56Å; V152-L175 HydrophobicContact CB-CD2 4.12Å; V152-L175 HydrophobicContact CG1-CD2 4.15Å; V152-L175 HydrophobicContact CG2-CD2 4.35Å; V152-V188 HydrophobicContact CG1-CG1 3.52Å; V152-A190 HydrophobicContact CB-CB 4.45Å; V152-A190 HydrophobicContact CG2-CB 4Å |
| 153 | T | 96.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.6 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | W155 T163 D165 V188 K189 | T153-W155 HydrophobicContact CG2-CE3 4.12Å; T153-W155 HydrophobicContact CG2-CZ3 4.39Å; T153-W155 WeakPolarHBondContact O-CZ3 3.13Å; T153-T163 HydrophobicContact CG2-CG2 3.89Å; T153-D165 WeakPolarHBondContact CA-OD1 3.4Å; T153-D165 VanDerWaalsContact CB-OD1 3.22Å; T153-D165 WeakPolarHBondContact CB-OD1 3.31Å; T153-D165 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D165 PolarHBondContact OG1-OD1 2.83Å; T153-V188 WeakPolarHBondContact O-CA 3.3Å; T153-K189 PolarHBondContact N-O 3.07Å; T153-K189 PolarHBondContact O-N 2.76Å |
| 154 | I | 96.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.1 | -177.7 | -52.6 | 179.3 | 0 | 0 | 0 | 109.2 | L137 V139 V152 K164 Y166 L175 V177 Y186 C187 V188 | L137-I154 HydrophobicContact CD2-CD1 4.09Å; L137-I154 HydrophobicContact CD2-CG2 3.99Å; V139-I154 HydrophobicContact CG2-CD1 4.46Å; V152-I154 HydrophobicContact CG1-CD1 4.23Å; V152-I154 HydrophobicContact CG1-CG1 3.94Å; I154-K164 PolarHBondContact N-O 2.93Å; I154-K164 PolarHBondContact O-N 3.41Å; I154-Y166 HydrophobicContact CB-CE2 4.33Å; I154-Y166 HydrophobicContact CD1-CD2 3.84Å; I154-Y166 HydrophobicContact CD1-CE2 3.72Å; I154-Y166 HydrophobicContact CG1-CD2 4.17Å; I154-Y166 HydrophobicContact CG1-CE2 4.15Å; I154-L175 HydrophobicContact CD1-CD2 4.39Å; I154-V177 HydrophobicContact CD1-CG2 3.73Å; I154-Y186 HydrophobicContact CG2-CD1 4.18Å; I154-C187 WeakPolarHBondContact CA-O 3.33Å; I154-V188 HydrophobicContact CG1-CG1 4.18Å; I154-V188 HydrophobicContact CG1-CG2 4.14Å; I154-V188 HydrophobicContact CG2-CG2 4.32Å |
| 155 | W | 96.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 69.8 Ų | 69.8 | 11% | 0.114 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.4 | 175.4 | 66.7 | 100.9 | 0 | 0 | 0 | 111.3 | T153 T163 Y186 C187 K189 | T153-W155 HydrophobicContact CG2-CE3 4.12Å; T153-W155 HydrophobicContact CG2-CZ3 4.39Å; T153-W155 WeakPolarHBondContact O-CZ3 3.13Å; W155-T163 HydrophobicContact CB-CG2 4.05Å; W155-Y186 CarbonylContact O-C 3.53Å; W155-Y186 VanDerWaalsContact O-CA 3.31Å; W155-Y186 WeakPolarHBondContact O-CA 3.41Å; W155-C187 HydrophobicContact CD2-CB 4.04Å; W155-C187 VanDerWaalsContact CE2-CB 3.48Å; W155-C187 HydrophobicContact CE3-CB 4.49Å; W155-C187 HydrophobicContact CH2-CB 3.96Å; W155-C187 HydrophobicContact CZ2-CB 3.47Å; W155-C187 VanDerWaalsContact CZ2-CB 3.47Å; W155-C187 HydrophobicContact CZ3-CB 4.43Å; W155-C187 PolarHBondContact N-O 2.84Å; W155-C187 PolarHBondContact O-N 2.94Å; W155-K189 HydrophobicContact CH2-CB 4.12Å; W155-K189 HydrophobicContact CH2-CD 3.82Å; W155-K189 HydrophobicContact CH2-CG 4Å; W155-K189 HydrophobicContact CZ3-CB 4.13Å; W155-K189 HydrophobicContact CZ3-CD 3.84Å; W155-K189 HydrophobicContact CZ3-CG 3.7Å |
| 156 | R | 95.7 | Very high | 91.4 | Very high | 33 Ų | 33 | 70.2 Ų | 70.2 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.4 | 173 | -150.2 | 171.1 | 65.9 | 173.8 | 22.9 | 108.8 | D158 K159 E160 A184 V185 Y186 | R156-D158 VanDerWaalsContact C-N 3.25Å; R156-D158 WeakPolarHBondContact CB-OD1 3.32Å; R156-D158 WeakPolarHBondContact CD-OD1 3.39Å; R156-D158 WeakPolarHBondContact CG-OD1 3.46Å; R156-D158 IonicContact CZ-OD1 2.64Å; R156-D158 IonicContact CZ-OD2 3.58Å; R156-D158 IonicContact NE-OD1 2.94Å; R156-D158 PolarHBondContact NE-OD1 3.18Å; R156-D158 IonicContact NE-OD2 3.78Å; R156-D158 PolarHBondContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 3.65Å; R156-D158 IonicContact NH2-OD2 3.29Å; R156-D158 PolarHBondContact NH2-OD2 3.5Å; R156-D158 PolarHBondContact O-N 2.75Å; R156-K159 HydrophobicContact CB-CB 4.34Å; R156-K159 CarbonylContact O-C 3.15Å; R156-K159 WeakPolarHBondContact O-CA 3.47Å; R156-K159 PolarHBondContact O-N 3.5Å; R156-E160 PolarHBondContact O-N 3.4Å; R156-A184 HydrophobicContact CG-CB 4.07Å; R156-V185 WeakPolarHBondContact CA-O 3.18Å; R156-V185 WeakPolarHBondContact CG-O 3.46Å; R156-Y186 HydrophobicContact CB-CD1 4.28Å; R156-Y186 HydrophobicContact CB-CE1 4.05Å; R156-Y186 HydrophobicContact CG-CD1 4.33Å; R156-Y186 HydrophobicContact CG-CD2 4.46Å; R156-Y186 HydrophobicContact CG-CE1 4.02Å; R156-Y186 HydrophobicContact CG-CE2 4.18Å |
| 157 | T | 94.4 | Very high | 92.4 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.2 | -173.1 | -50 | 0 | 0 | 0 | 0 | 113.3 | K159 V185 C187 | T157-K159 VanDerWaalsContact C-N 3.3Å; T157-V185 PolarHBondContact N-O 2.72Å; T157-V185 WeakPolarHBondContact OG1-CG1 3.23Å; T157-V185 PolarHBondContact OG1-O 3.43Å; T157-C187 PolarHBondContact OG1-SG 3.4Å |
| 158 | D | 92.4 | Very high | 93.3 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.6 | 174.8 | 67.5 | -31.5 | 0 | 0 | 0 | 113.6 | R156 | R156-D158 VanDerWaalsContact C-N 3.25Å; R156-D158 WeakPolarHBondContact CB-OD1 3.32Å; R156-D158 WeakPolarHBondContact CD-OD1 3.39Å; R156-D158 WeakPolarHBondContact CG-OD1 3.46Å; R156-D158 IonicContact CZ-OD1 2.64Å; R156-D158 IonicContact CZ-OD2 3.58Å; R156-D158 IonicContact NE-OD1 2.94Å; R156-D158 PolarHBondContact NE-OD1 3.18Å; R156-D158 IonicContact NE-OD2 3.78Å; R156-D158 PolarHBondContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 3.65Å; R156-D158 IonicContact NH2-OD2 3.29Å; R156-D158 PolarHBondContact NH2-OD2 3.5Å; R156-D158 PolarHBondContact O-N 2.75Å |
| 159 | K | 92.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 67.1 Ų | 67.1 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 54.8 | -178.4 | -65.6 | -177.3 | 169.6 | 174.4 | 0 | 111.5 | R156 T157 Q161 Q162 | R156-K159 HydrophobicContact CB-CB 4.34Å; R156-K159 CarbonylContact O-C 3.15Å; R156-K159 WeakPolarHBondContact O-CA 3.47Å; R156-K159 PolarHBondContact O-N 3.5Å; T157-K159 VanDerWaalsContact C-N 3.3Å; K159-Q161 PolarHBondContact O-N 3.37Å; K159-Q161 VanDerWaalsContact O-N 3.11Å; K159-Q162 HydrophobicContact CB-CB 4.25Å; K159-Q162 PolarHBondContact O-N 2.98Å |
| 160 | E | 90.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 65.5 Ų | 65.5 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | -29.7 | -176.5 | -63 | -170.6 | 157.3 | 0 | 0 | 114.4 | R156 Q162 | R156-E160 PolarHBondContact O-N 3.4Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.32Å |
| 161 | Q | 90.1 | Very high | 92.8 | Very high | 192 Ų | 192 | 70.8 Ų | 70.8 | 90% | 0.897 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -15.9 | 177.4 | -66.9 | -87.4 | -24.2 | 0 | 0 | 113.3 | K159 | K159-Q161 PolarHBondContact O-N 3.37Å; K159-Q161 VanDerWaalsContact O-N 3.11Å |
| 162 | Q | 92.8 | Very high | 92.5 | Very high | 130 Ų | 130 | 71.4 Ų | 71.4 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 76.5 | -179 | -64.2 | -177.6 | 15.6 | 0 | 0 | 110 | K159 E160 | K159-Q162 HydrophobicContact CB-CB 4.25Å; K159-Q162 PolarHBondContact O-N 2.98Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.32Å |
| 163 | T | 94.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 148.4 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | T153 W155 | T153-T163 HydrophobicContact CG2-CG2 3.89Å; W155-T163 HydrophobicContact CB-CG2 4.05Å |
| 164 | K | 95.9 | Very high | 92.1 | Very high | 136 Ų | 136 | 77.7 Ų | 77.7 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.4 | 168.4 | -66.7 | -175.3 | -179.7 | -177.9 | 0 | 109.1 | I154 Y166 | I154-K164 PolarHBondContact N-O 2.93Å; I154-K164 PolarHBondContact O-N 3.41Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å |
| 165 | D | 95.6 | Very high | 92 | Very high | 108 Ų | 108 | 78.1 Ų | 78.1 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.5 | 178.9 | -65.8 | -30.4 | 0 | 0 | 0 | 110.8 | V152 T153 | V152-D165 CarbonylContact O-C 3.59Å; V152-D165 WeakPolarHBondContact O-CA 3.36Å; T153-D165 WeakPolarHBondContact CA-OD1 3.4Å; T153-D165 VanDerWaalsContact CB-OD1 3.22Å; T153-D165 WeakPolarHBondContact CB-OD1 3.31Å; T153-D165 WeakPolarHBondContact CG2-OD1 3.43Å; T153-D165 PolarHBondContact OG1-OD1 2.83Å |
| 166 | Y | 95.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 83.4 Ų | 83.4 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134 | -179.9 | -61.6 | -95 | 0 | 0 | 0 | 109.4 | V152 I154 K164 L175 V177 | V152-Y166 PolarHBondContact N-O 3.04Å; V152-Y166 PolarHBondContact O-N 2.96Å; I154-Y166 HydrophobicContact CB-CE2 4.33Å; I154-Y166 HydrophobicContact CD1-CD2 3.84Å; I154-Y166 HydrophobicContact CD1-CE2 3.72Å; I154-Y166 HydrophobicContact CG1-CD2 4.17Å; I154-Y166 HydrophobicContact CG1-CE2 4.15Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; Y166-L175 HydrophobicContact CD1-CD1 4.09Å; Y166-L175 HydrophobicContact CD1-CD2 4.28Å; Y166-L175 HydrophobicContact CD2-CD2 4.2Å; Y166-L175 HydrophobicContact CG-CD1 4.37Å; Y166-L175 HydrophobicContact CG-CD2 3.77Å; Y166-V177 HydrophobicContact CE1-CG2 4.2Å; Y166-V177 HydrophobicContact CE2-CG2 4.3Å |
| 167 | S | 93.4 | Very high | 91.8 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.5 | 174.9 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | M151 | M151-S167 PolarHBondContact SD-OG 3.42Å |
| 168 | M | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 172.3 | -64.9 | 176.2 | 66.2 | 0 | 0 | 109.3 | V141 T150 V152 Q172 L175 | V141-M168 HydrophobicContact CB-CE 4.41Å; V141-M168 HydrophobicContact CG2-CE 4.16Å; V141-M168 HydrophobicContact CG2-SD 4.06Å; T150-M168 PolarHBondContact N-O 2.93Å; T150-M168 PolarHBondContact O-N 3.4Å; V152-M168 HydrophobicContact CG2-CG 4.2Å; V152-M168 HydrophobicContact CG2-SD 3.56Å; V152-M168 VanDerWaalsContact CG2-SD 3.56Å; M168-Q172 HydrophobicContact CE-CG 4.2Å; M168-Q172 WeakPolarHBondContact CE-O 3.41Å; M168-L175 HydrophobicContact CE-CB 3.94Å; M168-L175 HydrophobicContact CG-CB 3.99Å; M168-L175 HydrophobicContact CG-CD2 4.46Å; M168-L175 HydrophobicContact SD-CB 3.51Å; M168-L175 VanDerWaalsContact SD-CB 3.51Å; M168-L175 HydrophobicContact SD-CD2 4.29Å; M168-L175 HydrophobicContact SD-CG 4.49Å |
| 169 | P | 88.3 | Confident | 91.4 | Very high | 57 Ų | 57 | 81.3 Ų | 81.3 | 37% | 0.37 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 161.4 | 172.1 | 30.9 | -35 | 0 | 0 | 0 | 111.1 | D171 Q172 | P169-D171 VanDerWaalsContact CB-OD1 3.3Å; P169-D171 WeakPolarHBondContact CB-OD1 3.44Å; P169-D171 VanDerWaalsContact CG-OD1 3.3Å; P169-D171 WeakPolarHBondContact CG-OD1 3.01Å; P169-D171 PolarHBondContact O-N 2Å; P169-D171 VanDerWaalsContact O-N 3.13Å; P169-Q172 HydrophobicContact CG-CB 3.84Å; P169-Q172 PolarHBondContact O-N 2.82Å |
| 170 | A | 82.3 | Confident | 91.4 | Very high | 12 Ų | 12 | 78.4 Ų | 78.4 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P145 L146 A148 | P145-A170 VanDerWaalsContact O-CB 3.24Å; P145-A170 WeakPolarHBondContact O-CB 3.48Å; L146-A170 HydrophobicContact CD2-CB 4.5Å; A148-A170 WeakPolarHBondContact O-CB 3.04Å; A148-A170 PolarHBondContact O-N 3.07Å |
| 171 | D | 82.5 | Confident | 91.4 | Very high | 116 Ų | 116 | 77.2 Ų | 77.2 | 62% | 0.62 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -17.4 | 179.2 | 64.1 | -37.6 | 0 | 0 | 0 | 113.3 | P169 E173 | P169-D171 VanDerWaalsContact CB-OD1 3.3Å; P169-D171 WeakPolarHBondContact CB-OD1 3.44Å; P169-D171 VanDerWaalsContact CG-OD1 3.3Å; P169-D171 WeakPolarHBondContact CG-OD1 3.01Å; P169-D171 PolarHBondContact O-N 2Å; P169-D171 VanDerWaalsContact O-N 3.13Å; D171-E173 PolarHBondContact O-N 2.79Å |
| 172 | Q | 88.4 | Confident | 91.4 | Very high | 71 Ų | 71 | 73.8 Ų | 73.8 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | trans | -86.8 | 110.5 | 178.3 | -174.3 | 179.4 | -25.2 | 0 | 0 | 111.1 | M168 P169 V174 | M168-Q172 HydrophobicContact CE-CG 4.2Å; M168-Q172 WeakPolarHBondContact CE-O 3.41Å; P169-Q172 HydrophobicContact CG-CB 3.84Å; P169-Q172 PolarHBondContact O-N 2.82Å; Q172-V174 WeakPolarHBondContact CG-O 3.31Å; Q172-V174 PolarHBondContact NE2-O 2.93Å | ||
| 173 | E | 89.5 | Confident | 91.1 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 41% | 0.407 | 40% | 0.404 | S | S | . | . | trans | -84.5 | -25.8 | 178.5 | -66.7 | -175.2 | 179.4 | 0 | 0 | 113.6 | S140 V141 K143 D171 | S140-E173 VanDerWaalsContact CA-O 3.29Å; S140-E173 WeakPolarHBondContact CA-O 3.38Å; V141-E173 PolarHBondContact N-O 2.99Å; K143-E173 HydrophobicContact CD-CG 4.47Å; K143-E173 VanDerWaalsContact CD-OE1 3.26Å; K143-E173 WeakPolarHBondContact CD-OE1 3.46Å; K143-E173 WeakPolarHBondContact CE-OE1 3.19Å; K143-E173 HydrophobicContact CG-CG 3.88Å; K143-E173 WeakPolarHBondContact CG-OE1 3.44Å; K143-E173 IonicContact NZ-OE1 2.72Å; K143-E173 PolarHBondContact NZ-OE1 3.16Å; D171-E173 PolarHBondContact O-N 2.79Å | ||
| 174 | V | 93.6 | Very high | 91.1 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.8 | -173 | -174 | 0 | 0 | 0 | 0 | 110.8 | L138 V139 Q172 Q176 | L138-V174 HydrophobicContact CD2-CG1 4.49Å; V139-V174 CarbonylContact O-C 3.56Å; V139-V174 WeakPolarHBondContact O-CA 3.43Å; Q172-V174 WeakPolarHBondContact CG-O 3.31Å; Q172-V174 PolarHBondContact NE2-O 2.93Å; V174-Q176 HydrophobicContact CG1-CG 4.26Å |
| 175 | L | 95.1 | Very high | 91 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.5 | 166.8 | 170.9 | 71.1 | 0 | 0 | 0 | 109 | V139 V152 I154 Y166 M168 V177 | V139-L175 HydrophobicContact CB-CB 4.25Å; V139-L175 PolarHBondContact N-O 2.93Å; V139-L175 PolarHBondContact O-N 2.64Å; V152-L175 HydrophobicContact CB-CD2 4.12Å; V152-L175 HydrophobicContact CG1-CD2 4.15Å; V152-L175 HydrophobicContact CG2-CD2 4.35Å; I154-L175 HydrophobicContact CD1-CD2 4.39Å; Y166-L175 HydrophobicContact CD1-CD1 4.09Å; Y166-L175 HydrophobicContact CD1-CD2 4.28Å; Y166-L175 HydrophobicContact CD2-CD2 4.2Å; Y166-L175 HydrophobicContact CG-CD1 4.37Å; Y166-L175 HydrophobicContact CG-CD2 3.77Å; M168-L175 HydrophobicContact CE-CB 3.94Å; M168-L175 HydrophobicContact CG-CB 3.99Å; M168-L175 HydrophobicContact CG-CD2 4.46Å; M168-L175 HydrophobicContact SD-CB 3.51Å; M168-L175 VanDerWaalsContact SD-CB 3.51Å; M168-L175 HydrophobicContact SD-CD2 4.29Å; M168-L175 HydrophobicContact SD-CG 4.49Å; L175-V177 HydrophobicContact CD2-CG2 4.24Å; L175-V177 HydrophobicContact CG-CG2 4.09Å |
| 176 | Q | 94.8 | Very high | 91.1 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125 | 177 | -50.4 | -168.3 | 10.8 | 0 | 0 | 109.5 | V136 L138 V174 | V136-Q176 HydrophobicContact CG1-CB 4.46Å; L138-Q176 HydrophobicContact CD2-CB 4.08Å; L138-Q176 HydrophobicContact CD2-CG 3.57Å; V174-Q176 HydrophobicContact CG1-CG 4.26Å |
| 177 | V | 94.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 107.5 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | V136 L137 I154 Y166 L175 L180 | V136-V177 CarbonylContact C-O 3.52Å; V136-V177 WeakPolarHBondContact CA-O 3.26Å; L137-V177 HydrophobicContact CB-CB 4.33Å; L137-V177 PolarHBondContact N-O 2.56Å; L137-V177 PolarHBondContact O-N 3.46Å; I154-V177 HydrophobicContact CD1-CG2 3.73Å; Y166-V177 HydrophobicContact CE1-CG2 4.2Å; Y166-V177 HydrophobicContact CE2-CG2 4.3Å; L175-V177 HydrophobicContact CD2-CG2 4.24Å; L175-V177 HydrophobicContact CG-CG2 4.09Å; V177-L180 HydrophobicContact CG1-CD2 3.98Å; V177-L180 HydrophobicContact CG1-CG 4.47Å |
| 178 | A | 91.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | trans | -96.5 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V136 L180 | V136-A178 HydrophobicContact CG2-CB 3.99Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.31Å | ||
| 179 | A | 86.6 | Confident | 91.5 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 72% | 0.719 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 57.6 | 39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D135 | D135-A179 PolarHBondContact O-N 3.01Š|
| 180 | L | 91.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 153.5 | 175.2 | -62.3 | 179.6 | 0 | 0 | 0 | 111.4 | D135 L137 V177 A178 E182 Y186 I210 | D135-L180 WeakPolarHBondContact O-CB 3.35Å; D135-L180 PolarHBondContact O-N 3.1Å; L137-L180 HydrophobicContact CB-CD1 3.41Å; L137-L180 VanDerWaalsContact CB-CD1 3.41Å; L137-L180 HydrophobicContact CD2-CD1 4.22Å; L137-L180 HydrophobicContact CG-CD1 4.4Å; V177-L180 HydrophobicContact CG1-CD2 3.98Å; V177-L180 HydrophobicContact CG1-CG 4.47Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.31Å; L180-E182 PolarHBondContact O-N 2.83Å; L180-Y186 HydrophobicContact CB-CE2 3.96Å; L180-Y186 HydrophobicContact CD1-CD2 4.35Å; L180-Y186 HydrophobicContact CD1-CE2 4.45Å; L180-Y186 HydrophobicContact CD1-CG 4.47Å; L180-Y186 HydrophobicContact CD2-CD1 4.35Å; L180-Y186 HydrophobicContact CD2-CE1 3.82Å; L180-Y186 HydrophobicContact CD2-CE2 4.29Å; L180-Y186 HydrophobicContact CG-CE2 4.48Å; L180-I210 HydrophobicContact CB-CD1 4.4Å; L180-I210 HydrophobicContact CB-CG1 4.05Å; L180-I210 HydrophobicContact CB-CG2 4.15Å; L180-I210 HydrophobicContact CD1-CD1 3.79Å; L180-I210 HydrophobicContact CD1-CG1 4.14Å |
| 181 | Q | 89.6 | Confident | 92.4 | Very high | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 125.5 | -177.7 | -174.8 | 175 | -16 | 0 | 0 | 110.9 | A184 Y186 I210 | Q181-A184 HydrophobicContact CB-CB 4.19Å; Q181-A184 HydrophobicContact CG-CB 4.48Å; Q181-A184 WeakPolarHBondContact O-CB 3.45Å; Q181-A184 PolarHBondContact O-N 3.48Å; Q181-Y186 PolarHBondContact N-OH 3.39Å; Q181-I210 WeakPolarHBondContact O-CB 3.47Å |
| 182 | E | 90.6 | Very high | 92.8 | Very high | 119 Ų | 119 | 50.5 Ų | 50.5 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 140.6 | 172.4 | -179 | 174 | 180 | 0 | 0 | 111.9 | L180 A184 | L180-E182 PolarHBondContact O-N 2.83Å; E182-A184 PolarHBondContact O-N 3.02Å |
| 183 | G | 87.9 | Confident | 92.7 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I210 | G183-I210 PolarHBondContact N-O 2.83Š|
| 184 | A | 92.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | trans | -89.6 | 151.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R156 Q181 E182 Y186 I210 | R156-A184 HydrophobicContact CG-CB 4.07Å; Q181-A184 HydrophobicContact CB-CB 4.19Å; Q181-A184 HydrophobicContact CG-CB 4.48Å; Q181-A184 WeakPolarHBondContact O-CB 3.45Å; Q181-A184 PolarHBondContact O-N 3.48Å; E182-A184 PolarHBondContact O-N 3.02Å; A184-Y186 HydrophobicContact CB-CD2 4.35Å; A184-Y186 HydrophobicContact CB-CE2 3.79Å; A184-I210 PolarHBondContact O-N 2.9Å | ||
| 185 | V | 95.4 | Very high | 91 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.4 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | R156 T157 C207 V208 | R156-V185 WeakPolarHBondContact CA-O 3.18Å; R156-V185 WeakPolarHBondContact CG-O 3.46Å; T157-V185 PolarHBondContact N-O 2.72Å; T157-V185 WeakPolarHBondContact OG1-CG1 3.23Å; T157-V185 PolarHBondContact OG1-O 3.43Å; V185-C207 HydrophobicContact CG1-CB 4.01Å; V185-V208 WeakPolarHBondContact CA-O 3.23Å |
| 186 | Y | 96.3 | Very high | 89.5 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.5 | 175.5 | -73.8 | -96.7 | 0 | 0 | 0 | 109.7 | I154 W155 R156 L180 Q181 A184 C207 V208 I210 | I154-Y186 HydrophobicContact CG2-CD1 4.18Å; W155-Y186 CarbonylContact O-C 3.53Å; W155-Y186 VanDerWaalsContact O-CA 3.31Å; W155-Y186 WeakPolarHBondContact O-CA 3.41Å; R156-Y186 HydrophobicContact CB-CD1 4.28Å; R156-Y186 HydrophobicContact CB-CE1 4.05Å; R156-Y186 HydrophobicContact CG-CD1 4.33Å; R156-Y186 HydrophobicContact CG-CD2 4.46Å; R156-Y186 HydrophobicContact CG-CE1 4.02Å; R156-Y186 HydrophobicContact CG-CE2 4.18Å; L180-Y186 HydrophobicContact CB-CE2 3.96Å; L180-Y186 HydrophobicContact CD1-CD2 4.35Å; L180-Y186 HydrophobicContact CD1-CE2 4.45Å; L180-Y186 HydrophobicContact CD1-CG 4.47Å; L180-Y186 HydrophobicContact CD2-CD1 4.35Å; L180-Y186 HydrophobicContact CD2-CE1 3.82Å; L180-Y186 HydrophobicContact CD2-CE2 4.29Å; L180-Y186 HydrophobicContact CG-CE2 4.48Å; Q181-Y186 PolarHBondContact N-OH 3.39Å; A184-Y186 HydrophobicContact CB-CD2 4.35Å; A184-Y186 HydrophobicContact CB-CE2 3.79Å; Y186-C207 CarbonylContact O-C 3.47Å; Y186-C207 VanDerWaalsContact O-CA 3.24Å; Y186-C207 WeakPolarHBondContact O-CA 3.47Å; Y186-V208 PolarHBondContact N-O 3.07Å; Y186-V208 PolarHBondContact O-N 2.84Å; Y186-I210 HydrophobicContact CD2-CD1 4.43Å; Y186-I210 HydrophobicContact CD2-CG1 3.57Å; Y186-I210 HydrophobicContact CE2-CG1 3.93Å |
| 187 | C | 96.8 | Very high | 88.2 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.6 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 110 | I154 W155 T157 H206 C207 | I154-C187 WeakPolarHBondContact CA-O 3.33Å; W155-C187 HydrophobicContact CD2-CB 4.04Å; W155-C187 VanDerWaalsContact CE2-CB 3.48Å; W155-C187 HydrophobicContact CE3-CB 4.49Å; W155-C187 HydrophobicContact CH2-CB 3.96Å; W155-C187 HydrophobicContact CZ2-CB 3.47Å; W155-C187 VanDerWaalsContact CZ2-CB 3.47Å; W155-C187 HydrophobicContact CZ3-CB 4.43Å; W155-C187 PolarHBondContact N-O 2.84Å; W155-C187 PolarHBondContact O-N 2.94Å; T157-C187 PolarHBondContact OG1-SG 3.4Å; C187-H206 CarbonylContact C-O 3.55Å; C187-H206 WeakPolarHBondContact CA-O 3.39Å; C187-C207 HydrophobicContact CB-CB 4.13Å; C187-C207 WeakPolarHBondContact CB-SG 3.12Å; C187-C207 WeakPolarHBondContact SG-CB 3.38Å; C187-C207 CovalentContact SG-SG 2.04Å; C187-C207 PolarHBondContact SG-SG 3.01Å |
| 188 | V | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.3 | -176.9 | -174 | 0 | 0 | 0 | 0 | 109 | L128 V130 L137 V139 V152 T153 I154 S205 H206 | L128-V188 HydrophobicContact CD2-CG1 3.96Å; V130-V188 HydrophobicContact CG1-CG2 3.98Å; V130-V188 HydrophobicContact CG2-CB 4.03Å; V130-V188 HydrophobicContact CG2-CG1 4.33Å; V130-V188 HydrophobicContact CG2-CG2 4.24Å; L137-V188 HydrophobicContact CD2-CG2 3.8Å; V139-V188 HydrophobicContact CG1-CG1 4.28Å; V139-V188 HydrophobicContact CG2-CG1 4.12Å; V139-V188 HydrophobicContact CG2-CG2 4.27Å; V152-V188 HydrophobicContact CG1-CG1 3.52Å; T153-V188 WeakPolarHBondContact O-CA 3.3Å; I154-V188 HydrophobicContact CG1-CG1 4.18Å; I154-V188 HydrophobicContact CG1-CG2 4.14Å; I154-V188 HydrophobicContact CG2-CG2 4.32Å; V188-S205 CarbonylContact O-C 3.59Å; V188-S205 WeakPolarHBondContact O-CA 3.5Å; V188-H206 PolarHBondContact N-O 3.08Å; V188-H206 PolarHBondContact O-N 2.87Å |
| 189 | K | 96.8 | Very high | 87.1 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.8 | 164.3 | 71.3 | -168.4 | 174.3 | -177.8 | 0 | 108.9 | T153 W155 F202 T203 | T153-K189 PolarHBondContact N-O 3.07Å; T153-K189 PolarHBondContact O-N 2.76Å; W155-K189 HydrophobicContact CH2-CB 4.12Å; W155-K189 HydrophobicContact CH2-CD 3.82Å; W155-K189 HydrophobicContact CH2-CG 4Å; W155-K189 HydrophobicContact CZ3-CB 4.13Å; W155-K189 HydrophobicContact CZ3-CD 3.84Å; W155-K189 HydrophobicContact CZ3-CG 3.7Å; K189-F202 HydrophobicContact CB-CD1 4.36Å; K189-F202 HydrophobicContact CD-CB 4.48Å; K189-F202 HydrophobicContact CD-CD1 3.85Å; K189-F202 HydrophobicContact CD-CE1 4.25Å; K189-F202 HydrophobicContact CD-CG 4.2Å; K189-F202 HydrophobicContact CG-CD1 3.68Å; K189-F202 HydrophobicContact CG-CE1 4.1Å; K189-F202 HydrophobicContact CG-CG 4.44Å; K189-T203 WeakPolarHBondContact CA-OG1 3.31Å |
| 190 | A | 95.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 164.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P126 L128 T150 M151 V152 F202 T203 | P126-A190 HydrophobicContact CG-CB 4.15Å; L128-A190 HydrophobicContact CD1-CB 3.33Å; L128-A190 HydrophobicContact CG-CB 4.4Å; T150-A190 HydrophobicContact CG2-CB 3.91Å; M151-A190 CarbonylContact O-C 3.46Å; M151-A190 WeakPolarHBondContact O-CA 3.44Å; M151-A190 VanDerWaalsContact O-CB 3.28Å; M151-A190 WeakPolarHBondContact O-CB 3.13Å; V152-A190 HydrophobicContact CB-CB 4.45Å; V152-A190 HydrophobicContact CG2-CB 4Å; A190-F202 CarbonylContact O-C 3.49Å; A190-F202 VanDerWaalsContact O-CA 3.32Å; A190-F202 WeakPolarHBondContact O-CA 3.49Å; A190-T203 PolarHBondContact N-OG1 3.45Å; A190-T203 WeakPolarHBondContact O-CG2 3.15Å; A190-T203 PolarHBondContact O-N 3.2Å |
| 191 | K | 93.1 | Very high | 86.9 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.2 | 169.1 | 63.4 | 174.8 | -179.4 | 176.7 | 0 | 109.3 | T150 M151 S200 F202 | T150-K191 WeakPolarHBondContact CA-O 3.2Å; M151-K191 HydrophobicContact CB-CG 4.05Å; M151-K191 PolarHBondContact N-O 3.34Å; M151-K191 PolarHBondContact O-N 2.68Å; K191-S200 WeakPolarHBondContact CA-OG 3.43Å; K191-F202 HydrophobicContact CB-CD1 3.97Å; K191-F202 HydrophobicContact CB-CE1 4.14Å; K191-F202 HydrophobicContact CB-CG 4.38Å; K191-F202 HydrophobicContact CD-CD1 4.38Å; K191-F202 HydrophobicContact CD-CE1 3.83Å; K191-F202 HydrophobicContact CD-CE2 3.99Å; K191-F202 HydrophobicContact CD-CZ 3.62Å; K191-F202 HydrophobicContact CG-CD1 4.16Å; K191-F202 HydrophobicContact CG-CE1 3.8Å; K191-F202 HydrophobicContact CG-CZ 4.13Å |
| 192 | V | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.7 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | P123 P126 F144 A148 Q199 S200 | P123-V192 HydrophobicContact CB-CB 4.32Å; P123-V192 HydrophobicContact CB-CG1 4.03Å; P123-V192 HydrophobicContact CG-CB 4.4Å; P123-V192 HydrophobicContact CG-CG1 4.29Å; P126-V192 HydrophobicContact CB-CG2 3.94Å; P126-V192 HydrophobicContact CG-CG2 3.95Å; F144-V192 HydrophobicContact CD1-CG1 4.35Å; F144-V192 HydrophobicContact CD1-CG2 4.19Å; F144-V192 HydrophobicContact CD2-CG2 4.13Å; F144-V192 HydrophobicContact CE1-CG2 3.74Å; F144-V192 HydrophobicContact CE2-CG2 3.68Å; F144-V192 HydrophobicContact CG-CG2 4.38Å; F144-V192 HydrophobicContact CZ-CG2 3.48Å; F144-V192 VanDerWaalsContact CZ-CG2 3.48Å; A148-V192 HydrophobicContact CB-CG1 3.9Å; V192-Q199 CarbonylContact O-C 3.58Å; V192-Q199 WeakPolarHBondContact O-CA 3.39Å; V192-S200 PolarHBondContact N-OG 3.13Å; V192-S200 PolarHBondContact O-N 3.43Å |
| 193 | V | 87.3 | Confident | 87.3 | Confident | 24 Ų | 24 | 47 Ų | 47 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.8 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | V149 M151 Q199 | V149-V193 PolarHBondContact N-O 3.08Å; V149-V193 PolarHBondContact O-N 3.38Å; M151-V193 HydrophobicContact CG-CG2 3.87Å; V193-Q199 HydrophobicContact CG2-CB 4.38Å |
| 194 | L | 78.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 161 | 171.7 | -62.1 | 175.3 | 0 | 0 | 0 | 109.9 | P123 A148 L196 D197 V198 | P123-L194 HydrophobicContact CB-CD1 4.03Å; P123-L194 HydrophobicContact CB-CG 4.16Å; P123-L194 HydrophobicContact CG-CD1 4.12Å; P123-L194 HydrophobicContact CG-CG 4.1Å; A148-L194 HydrophobicContact CB-CD2 3.76Å; L194-L196 PolarHBondContact O-N 3.02Å; L194-D197 PolarHBondContact O-N 3.19Å; L194-D197 VanDerWaalsContact O-N 3.09Å; L194-V198 PolarHBondContact N-O 2.94Å |
| 195 | N | 67.9 | Low | 87.7 | Confident | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -11.1 | -177.3 | -73.4 | -26.4 | 0 | 0 | 0 | 116.9 | T147 | T147-N195 PolarHBondContact O-N 2.02Å; T147-N195 PolarHBondContact O-OD1 2.89Å |
| 196 | L | 64.1 | Low | 87.7 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 26.8 | -178.6 | -66.2 | 166.6 | 0 | 0 | 0 | 112.6 | N119 L194 V198 | N119-L196 HydrophobicContact CB-CD1 3.36Å; N119-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N119-L196 WeakPolarHBondContact OD1-CD1 3.3Å; L194-L196 PolarHBondContact O-N 3.02Å; L196-V198 HydrophobicContact CB-CG2 4.32Å; L196-V198 PolarHBondContact O-N 2.78Å |
| 197 | D | 68.5 | Low | 87.7 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 57.6 | 13.9 | -176.4 | -67.2 | -37.7 | 0 | 0 | 0 | 114.9 | L194 Q199 | L194-D197 PolarHBondContact O-N 3.19Å; L194-D197 VanDerWaalsContact O-N 3.09Å; D197-Q199 PolarHBondContact O-N 3.36Å |
| 198 | V | 76.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | trans | -76.1 | 122.9 | 171.9 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | I121 L194 L196 | I121-V198 WeakPolarHBondContact O-CG1 3.23Å; L194-V198 PolarHBondContact N-O 2.94Å; L196-V198 HydrophobicContact CB-CG2 4.32Å; L196-V198 PolarHBondContact O-N 2.78Å | ||
| 199 | Q | 84.7 | Confident | 87.4 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 145.6 | -171.8 | 57.8 | 180 | -10.1 | 0 | 0 | 112 | T122 V192 V193 D197 | T122-Q199 WeakPolarHBondContact CG2-O 3.32Å; V192-Q199 CarbonylContact O-C 3.58Å; V192-Q199 WeakPolarHBondContact O-CA 3.39Å; V193-Q199 HydrophobicContact CG2-CB 4.38Å; D197-Q199 PolarHBondContact O-N 3.36Å |
| 200 | S | 86.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 168.6 | 169.3 | 72.7 | 0 | 0 | 0 | 0 | 110.5 | P123 P124 K191 V192 | P123-S200 VanDerWaalsContact O-CB 3.26Å; P123-S200 WeakPolarHBondContact O-CB 3.44Å; P124-S200 WeakPolarHBondContact O-CB 3.3Å; K191-S200 WeakPolarHBondContact CA-OG 3.43Å; V192-S200 PolarHBondContact N-OG 3.13Å; V192-S200 PolarHBondContact O-N 3.43Å |
| 201 | G | 88.4 | Confident | 86.7 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 164.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 202 | F | 92.9 | Very high | 85.6 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 151.8 | 169.6 | -78.1 | -80.8 | 0 | 0 | 0 | 110.9 | K189 A190 K191 | K189-F202 HydrophobicContact CB-CD1 4.36Å; K189-F202 HydrophobicContact CD-CB 4.48Å; K189-F202 HydrophobicContact CD-CD1 3.85Å; K189-F202 HydrophobicContact CD-CE1 4.25Å; K189-F202 HydrophobicContact CD-CG 4.2Å; K189-F202 HydrophobicContact CG-CD1 3.68Å; K189-F202 HydrophobicContact CG-CE1 4.1Å; K189-F202 HydrophobicContact CG-CG 4.44Å; A190-F202 CarbonylContact O-C 3.49Å; A190-F202 VanDerWaalsContact O-CA 3.32Å; A190-F202 WeakPolarHBondContact O-CA 3.49Å; K191-F202 HydrophobicContact CB-CD1 3.97Å; K191-F202 HydrophobicContact CB-CE1 4.14Å; K191-F202 HydrophobicContact CB-CG 4.38Å; K191-F202 HydrophobicContact CD-CD1 4.38Å; K191-F202 HydrophobicContact CD-CE1 3.83Å; K191-F202 HydrophobicContact CD-CE2 3.99Å; K191-F202 HydrophobicContact CD-CZ 3.62Å; K191-F202 HydrophobicContact CG-CD1 4.16Å; K191-F202 HydrophobicContact CG-CE1 3.8Å; K191-F202 HydrophobicContact CG-CZ 4.13Å |
| 203 | T | 94.6 | Very high | 84.5 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 162.3 | 162.7 | 66.2 | 0 | 0 | 0 | 0 | 111 | V125 P126 L128 K189 A190 | V125-T203 HydrophobicContact CG1-CG2 3.74Å; P126-T203 HydrophobicContact CG-CG2 3.75Å; P126-T203 WeakPolarHBondContact O-CG2 3.34Å; L128-T203 HydrophobicContact CB-CG2 4.42Å; L128-T203 HydrophobicContact CD1-CG2 3.53Å; L128-T203 WeakPolarHBondContact CD1-OG1 3.47Å; K189-T203 WeakPolarHBondContact CA-OG1 3.31Å; A190-T203 PolarHBondContact N-OG1 3.45Å; A190-T203 WeakPolarHBondContact O-CG2 3.15Å; A190-T203 PolarHBondContact O-N 3.2Å |
| 204 | D | 94.3 | Very high | 83.4 | Confident | 138 Ų | 138 | 65.8 Ų | 65.8 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 152.3 | 158.8 | -63.8 | -42 | 0 | 0 | 0 | 110.6 | H206 | D204-H206 PolarHBondContact O-CD2 2.73Š|
| 205 | S | 95.6 | Very high | 82.4 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 49% | 0.49 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -75 | 125.4 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | V188 | V188-S205 CarbonylContact O-C 3.59Å; V188-S205 WeakPolarHBondContact O-CA 3.5Å |
| 206 | H | 95.8 | Very high | 82 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.7 | 172.5 | -66.7 | -86 | 0 | 0 | 0 | 109.9 | V130 C187 V188 D204 | V130-H206 HydrophobicContact CB-CB 4.25Å; V130-H206 HydrophobicContact CG2-CB 3.83Å; C187-H206 CarbonylContact C-O 3.55Å; C187-H206 WeakPolarHBondContact CA-O 3.39Å; V188-H206 PolarHBondContact N-O 3.08Å; V188-H206 PolarHBondContact O-N 2.87Å; D204-H206 PolarHBondContact O-CD2 2.73Å |
| 207 | C | 95.6 | Very high | 81.6 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 46% | 0.459 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137 | -175.7 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | V185 Y186 C187 | V185-C207 HydrophobicContact CG1-CB 4.01Å; Y186-C207 CarbonylContact O-C 3.47Å; Y186-C207 VanDerWaalsContact O-CA 3.24Å; Y186-C207 WeakPolarHBondContact O-CA 3.47Å; C187-C207 HydrophobicContact CB-CB 4.13Å; C187-C207 WeakPolarHBondContact CB-SG 3.12Å; C187-C207 WeakPolarHBondContact SG-CB 3.38Å; C187-C207 CovalentContact SG-SG 2.04Å; C187-C207 PolarHBondContact SG-SG 3.01Å |
| 208 | V | 94.9 | Very high | 81.1 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.9 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 111 | V130 A132 L137 V185 Y186 | V130-V208 HydrophobicContact CG1-CG1 4.06Å; V130-V208 HydrophobicContact CG1-CG2 4.01Å; A132-V208 HydrophobicContact CB-CB 4.38Å; A132-V208 HydrophobicContact CB-CG2 4.14Å; L137-V208 HydrophobicContact CD1-CG2 3.3Å; V185-V208 WeakPolarHBondContact CA-O 3.23Å; Y186-V208 PolarHBondContact N-O 3.07Å; Y186-V208 PolarHBondContact O-N 2.84Å |
| 209 | S | 93.4 | Very high | 79.9 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 51% | 0.51 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.1 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 210 | I | 93.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 44% | 0.441 | C | S | . | . | trans | -88.9 | 118 | 177.3 | -58.3 | -57.2 | 0 | 0 | 0 | 109.1 | A132 G134 L180 Q181 G183 A184 Y186 | A132-I210 HydrophobicContact CB-CD1 3.88Å; G134-I210 WeakPolarHBondContact O-CG2 3.3Å; L180-I210 HydrophobicContact CB-CD1 4.4Å; L180-I210 HydrophobicContact CB-CG1 4.05Å; L180-I210 HydrophobicContact CB-CG2 4.15Å; L180-I210 HydrophobicContact CD1-CD1 3.79Å; L180-I210 HydrophobicContact CD1-CG1 4.14Å; Q181-I210 WeakPolarHBondContact O-CB 3.47Å; G183-I210 PolarHBondContact N-O 2.83Å; A184-I210 PolarHBondContact O-N 2.9Å; Y186-I210 HydrophobicContact CD2-CD1 4.43Å; Y186-I210 HydrophobicContact CD2-CG1 3.57Å; Y186-I210 HydrophobicContact CE2-CG1 3.93Å | ||
| 211 | T | 83.3 | Confident | 77.3 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | trans | -90.8 | 1.1 | -176.6 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 212 | G | 71.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 47% | 0.467 | C | S | . | . | trans | 73 | 167.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G134 G214 | G134-G212 CarbonylContact C-O 3.47Å; G134-G212 WeakPolarHBondContact CA-O 3.27Å; G134-G212 PolarHBondContact O-N 2.85Å; G212-G214 PolarHBondContact O-N 2.84Å | ||
| 213 | P | 66.6 | Low | 74.6 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -66 | 105.4 | 170 | 28.8 | -28.3 | 0 | 0 | 0 | 105.8 | A215 | P213-A215 PolarHBondContact O-N 3.23Š|
| 214 | G | 63 | Low | 73.6 | Confident | 63 Ų | 63 | 82 Ų | 82 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | trans | -39 | 134.8 | -167 | 0 | 0 | 0 | 0 | 0 | 112.7 | G212 | G212-G214 PolarHBondContact O-N 2.84Š| ||
| 215 | A | 58.4 | Low | 72.7 | Confident | 78 Ų | 78 | 79.9 Ų | 79.9 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | trans | -43.1 | 128.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P213 A217 | P213-A215 PolarHBondContact O-N 3.23Å; A215-A217 PolarHBondContact O-N 2.89Å | ||
| 216 | P | 58.6 | Low | 72.1 | Confident | 61 Ų | 61 | 80.3 Ų | 80.3 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | trans | -53.6 | 129.9 | -179.4 | -24.5 | 31.3 | 0 | 0 | 0 | 109.6 | W218 K219 | P216-W218 HydrophobicContact CB-CD2 4.47Å; P216-W218 HydrophobicContact CB-CG 4.03Å; P216-W218 PolarHBondContact O-N 3.43Å; P216-K219 PolarHBondContact O-N 3.28Å | ||
| 217 | A | 56.9 | Low | 71.4 | Confident | 90 Ų | 90 | 80.3 Ų | 80.3 | 74% | 0.744 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -54.1 | -19 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A215 K219 Q220 | A215-A217 PolarHBondContact O-N 2.89Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 3.01Å; A217-Q220 WeakPolarHBondContact O-CG 3.11Å |
| 218 | W | 58.3 | Low | 71.2 | Confident | 189 Ų | 189 | 81.5 Ų | 81.5 | 72% | 0.716 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -73.6 | -11.5 | 175.2 | 71.2 | -98.2 | 0 | 0 | 0 | 115.2 | P216 | P216-W218 HydrophobicContact CB-CD2 4.47Å; P216-W218 HydrophobicContact CB-CG 4.03Å; P216-W218 PolarHBondContact O-N 3.43Å |
| 219 | K | 51.1 | Low | 71 | Confident | 140 Ų | 140 | 84.8 Ų | 84.8 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -91.3 | 9.1 | 176.3 | -70.9 | -160.3 | 175.9 | -175.6 | 0 | 114.5 | P216 A217 | P216-K219 PolarHBondContact O-N 3.28Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 3.01Å |
| 220 | Q | 60.1 | Low | 70.9 | Confident | 141 Ų | 141 | 85.3 Ų | 85.3 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.5 | 149.9 | 164.3 | -66.4 | -65.5 | -26.8 | 0 | 0 | 109.7 | A217 T222 | A217-Q220 WeakPolarHBondContact O-CG 3.11Å; Q220-T222 PolarHBondContact O-N 2.78Å; Q220-T222 PolarHBondContact O-OG1 3.33Å |
| 221 | P | 56.9 | Low | 70.9 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | trans | -63.2 | 93.5 | -149 | 26.4 | -34.6 | 0 | 0 | 0 | 112.7 | A223 V224 | P221-A223 PolarHBondContact O-N 2.84Å; P221-A223 VanDerWaalsContact O-N 3.11Å; P221-V224 PolarHBondContact O-N 3.2Å | ||
| 222 | T | 59.4 | Low | 71.5 | Confident | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -16.7 | 176.6 | -22.1 | 0 | 0 | 0 | 0 | 111.4 | Q220 V224 T225 V226 | Q220-T222 PolarHBondContact O-N 2.78Å; Q220-T222 PolarHBondContact O-OG1 3.33Å; T222-V224 VanDerWaalsContact C-N 3.35Å; T222-V224 PolarHBondContact O-N 2.98Å; T222-T225 PolarHBondContact O-N 3.4Å; T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.23Å; T222-V226 WeakPolarHBondContact O-CB 3.45Å; T222-V226 WeakPolarHBondContact O-CG2 3.44Å; T222-V226 PolarHBondContact O-N 2.81Å |
| 223 | A | 64.6 | Low | 72.6 | Confident | 68 Ų | 68 | 93 Ų | 93 | 56% | 0.562 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.5 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | P221 T227 | P221-A223 PolarHBondContact O-N 2.84Å; P221-A223 VanDerWaalsContact O-N 3.11Å; A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.39Å; A223-T227 PolarHBondContact O-N 2.87Å; A223-T227 PolarHBondContact O-OG1 3.21Å |
| 224 | V | 73.6 | Confident | 73.9 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 56% | 0.564 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.3 | -42.3 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | P221 T222 T227 V228 | P221-V224 PolarHBondContact O-N 3.2Å; T222-V224 VanDerWaalsContact C-N 3.35Å; T222-V224 PolarHBondContact O-N 2.98Å; V224-T227 WeakPolarHBondContact CA-OG1 3.21Å; V224-T227 PolarHBondContact O-OG1 2.86Å; V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.17Å; V224-V228 PolarHBondContact O-N 2.84Å; V224-V228 VanDerWaalsContact O-N 3.1Å |
| 225 | T | 76.6 | Confident | 75.3 | Confident | 92 Ų | 92 | 96 Ų | 96 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.3 | -41.6 | 179.3 | -26.2 | 0 | 0 | 0 | 0 | 111.8 | T222 V228 V229 | T222-T225 PolarHBondContact O-N 3.4Å; T225-V228 PolarHBondContact O-N 2.79Å; T225-V229 VanDerWaalsContact O-CG2 3.25Å; T225-V229 WeakPolarHBondContact O-CG2 3.4Å; T225-V229 PolarHBondContact O-N 3.09Å |
| 226 | V | 81.5 | Confident | 76.9 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67 | -42.5 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | T222 V228 V229 V230 | T222-V226 HydrophobicContact CG2-CG2 3.99Å; T222-V226 VanDerWaalsContact O-CB 3.23Å; T222-V226 WeakPolarHBondContact O-CB 3.45Å; T222-V226 WeakPolarHBondContact O-CG2 3.44Å; T222-V226 PolarHBondContact O-N 2.81Å; V226-V228 PolarHBondContact O-N 2.93Å; V226-V229 PolarHBondContact O-N 3.36Å; V226-V230 HydrophobicContact CG1-CG2 4.31Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 VanDerWaalsContact O-CG2 3.27Å; V226-V230 WeakPolarHBondContact O-CG2 3.44Å; V226-V230 PolarHBondContact O-N 3.43Å |
| 227 | T | 82.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 95.4 Ų | 95.4 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -42.7 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | A223 V224 V229 V230 M231 | A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.39Å; A223-T227 PolarHBondContact O-N 2.87Å; A223-T227 PolarHBondContact O-OG1 3.21Å; V224-T227 WeakPolarHBondContact CA-OG1 3.21Å; V224-T227 PolarHBondContact O-OG1 2.86Å; T227-V229 PolarHBondContact O-N 2.85Å; T227-V230 PolarHBondContact O-N 2.85Å; T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 2.82Å |
| 228 | V | 89.9 | Confident | 80 | Confident | 93 Ų | 93 | 96.2 Ų | 96.2 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | V224 T225 V226 M231 L232 | V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.17Å; V224-V228 PolarHBondContact O-N 2.84Å; V224-V228 VanDerWaalsContact O-N 3.1Å; T225-V228 PolarHBondContact O-N 2.79Å; V226-V228 PolarHBondContact O-N 2.93Å; V228-M231 PolarHBondContact O-N 2.89Å; V228-L232 WeakPolarHBondContact O-CB 3.29Å; V228-L232 PolarHBondContact O-N 3.07Å |
| 229 | V | 91.1 | Very high | 81.3 | Confident | 99 Ų | 99 | 93.5 Ų | 93.5 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 179.2 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | T225 V226 T227 L232 G233 | T225-V229 VanDerWaalsContact O-CG2 3.25Å; T225-V229 WeakPolarHBondContact O-CG2 3.4Å; T225-V229 PolarHBondContact O-N 3.09Å; V226-V229 PolarHBondContact O-N 3.36Å; T227-V229 PolarHBondContact O-N 2.85Å; V229-L232 PolarHBondContact O-N 3.41Å; V229-G233 PolarHBondContact O-N 3.46Å |
| 230 | V | 92.4 | Very high | 83 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V226 T227 L232 G233 L234 | V226-V230 HydrophobicContact CG1-CG2 4.31Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 VanDerWaalsContact O-CG2 3.27Å; V226-V230 WeakPolarHBondContact O-CG2 3.44Å; V226-V230 PolarHBondContact O-N 3.43Å; T227-V230 PolarHBondContact O-N 2.85Å; V230-L232 PolarHBondContact O-N 2.78Å; V230-G233 PolarHBondContact O-N 2.87Å; V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.42Å |
| 231 | M | 93.5 | Very high | 84 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 178.2 | -69.6 | -59.5 | -70.7 | 0 | 0 | 111.7 | T227 V228 L234 L235 | T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.45Å; T227-M231 PolarHBondContact O-N 2.82Å; V228-M231 PolarHBondContact O-N 2.89Å; M231-L234 PolarHBondContact O-N 3.23Å; M231-L234 HydrophobicContact SD-CD1 4.44Å; M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.42Å; M231-L235 PolarHBondContact O-N 3.29Å |
| 232 | L | 95 | Very high | 85 | Confident | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.2 | -165.3 | 72.9 | 0 | 0 | 0 | 111.6 | V228 V229 V230 L235 I236 | V228-L232 WeakPolarHBondContact O-CB 3.29Å; V228-L232 PolarHBondContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 3.41Å; V230-L232 PolarHBondContact O-N 2.78Å; L232-L235 PolarHBondContact O-N 2.74Å; L232-I236 HydrophobicContact CD2-CD1 4.5Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.23Å; L232-I236 PolarHBondContact O-N 3.41Å |
| 233 | G | 94.2 | Very high | 86 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 44% | 0.443 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V229 V230 I236 G237 | V229-G233 PolarHBondContact O-N 3.46Å; V230-G233 PolarHBondContact O-N 2.87Å; G233-I236 PolarHBondContact O-N 2.84Å; G233-G237 PolarHBondContact O-N 3.45Å |
| 234 | L | 93.9 | Very high | 86.2 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.4 | -72.5 | 171.6 | 0 | 0 | 0 | 112 | V230 M231 G237 L238 | V230-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.29Å; V230-L234 PolarHBondContact O-N 3.42Å; M231-L234 PolarHBondContact O-N 3.23Å; M231-L234 HydrophobicContact SD-CD1 4.44Å; L234-G237 PolarHBondContact O-N 2.81Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.37Å |
| 235 | L | 93.9 | Very high | 85.7 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 177.4 | -71.4 | 171.9 | 0 | 0 | 0 | 112 | M231 L232 L238 F239 | M231-L235 VanDerWaalsContact O-CG 3.31Å; M231-L235 WeakPolarHBondContact O-CG 3.42Å; M231-L235 PolarHBondContact O-N 3.29Å; L232-L235 PolarHBondContact O-N 2.74Å; L235-L238 PolarHBondContact O-N 3.36Å; L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 PolarHBondContact O-N 3.43Å |
| 236 | I | 92 | Very high | 85 | Confident | 89 Ų | 89 | 98.9 Ų | 98.9 | 46% | 0.456 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.9 | -67.2 | 165.7 | 0 | 0 | 0 | 110.2 | L232 G233 F239 W240 | L232-I236 HydrophobicContact CD2-CD1 4.5Å; L232-I236 HydrophobicContact CG-CD1 4.04Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.23Å; L232-I236 PolarHBondContact O-N 3.41Å; G233-I236 PolarHBondContact O-N 2.84Å; I236-F239 PolarHBondContact O-N 3.47Å; I236-W240 WeakPolarHBondContact O-CB 3.28Å; I236-W240 PolarHBondContact O-N 3.34Å |
| 237 | G | 90.5 | Very high | 83.8 | Confident | 39 Ų | 39 | 100.3 Ų | 100.3 | 40% | 0.402 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G233 L234 W240 A241 | G233-G237 PolarHBondContact O-N 3.45Å; L234-G237 PolarHBondContact O-N 2.81Å; G237-W240 PolarHBondContact O-N 3.3Å; G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.33Å |
| 238 | L | 88.2 | Confident | 82.5 | Confident | 106 Ų | 106 | 102.9 Ų | 102.9 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.7 | -43.9 | 174.8 | -74.2 | 170.3 | 0 | 0 | 0 | 111.8 | L234 L235 A241 L242 | L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.36Å; L238-A241 PolarHBondContact O-N 3.43Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 2.83Å |
| 239 | F | 87.4 | Confident | 80.9 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -43.8 | 177.1 | -177 | -100.4 | 0 | 0 | 0 | 111.5 | L235 I236 A241 L242 V243 | L235-F239 WeakPolarHBondContact O-CB 3.24Å; L235-F239 PolarHBondContact O-N 3.43Å; I236-F239 PolarHBondContact O-N 3.47Å; F239-A241 PolarHBondContact O-N 2.97Å; F239-L242 PolarHBondContact O-N 3.12Å; F239-V243 HydrophobicContact CD1-CG2 4.18Å; F239-V243 HydrophobicContact CD2-CG2 4.26Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 3.9Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CB 3.19Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.95Å |
| 240 | W | 85.7 | Confident | 79.2 | Confident | 157 Ų | 157 | 100.3 Ų | 100.3 | 60% | 0.595 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 173.3 | -99.1 | 81.7 | 0 | 0 | 0 | 112.1 | I236 G237 V243 H244 | I236-W240 WeakPolarHBondContact O-CB 3.28Å; I236-W240 PolarHBondContact O-N 3.34Å; G237-W240 PolarHBondContact O-N 3.3Å; W240-V243 PolarHBondContact O-N 3.03Å; W240-H244 AromaticContact CD2-CD2 3.84Å; W240-H244 AromaticContact CE3-CD2 3.22Å; W240-H244 AromaticContact CE3-NE2 3.73Å; W240-H244 AromaticContact CH2-NE2 3.87Å; W240-H244 AromaticContact CZ3-CD2 3.44Å; W240-H244 VanDerWaalsContact CZ3-CD2 3.44Å; W240-H244 WeakPolarHBondContact CZ3-CD2 3.1Å; W240-H244 AromaticContact CZ3-NE2 3.52Å; W240-H244 WeakPolarHBondContact O-CB 3.47Å; W240-H244 PolarHBondContact O-N 3.38Å |
| 241 | A | 81.5 | Confident | 77.4 | Confident | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.9 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G237 L238 F239 V243 C245 | G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.33Å; L238-A241 PolarHBondContact O-N 3.43Å; F239-A241 PolarHBondContact O-N 2.97Å; A241-V243 PolarHBondContact O-N 3.26Å; A241-C245 WeakPolarHBondContact O-CA 3.24Å; A241-C245 WeakPolarHBondContact O-CB 3.28Å; A241-C245 PolarHBondContact O-N 2.85Å; A241-C245 PolarHBondContact O-SG 2.91Å |
| 242 | L | 78.2 | Confident | 75.5 | Confident | 140 Ų | 140 | 106.7 Ų | 106.7 | 73% | 0.733 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.9 | -36.7 | -179.1 | -69.6 | 168.7 | 0 | 0 | 0 | 113.6 | L238 F239 | L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.48Å; L238-L242 PolarHBondContact O-N 2.83Å; F239-L242 PolarHBondContact O-N 3.12Å |
| 243 | V | 80.3 | Confident | 73.5 | Confident | 84 Ų | 84 | 112 Ų | 112 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80.1 | -34.6 | -178.9 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | F239 W240 A241 | F239-V243 HydrophobicContact CD1-CG2 4.18Å; F239-V243 HydrophobicContact CD2-CG2 4.26Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 3.9Å; F239-V243 HydrophobicContact CG-CG2 4.4Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CB 3.19Å; F239-V243 VanDerWaalsContact O-CG2 3.3Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.95Å; W240-V243 PolarHBondContact O-N 3.03Å; A241-V243 PolarHBondContact O-N 3.26Å |
| 244 | H | 68.6 | Low | 71.3 | Confident | 120 Ų | 120 | 118.3 Ų | 118.3 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -102.7 | -10.1 | -177.4 | -68.4 | -74.6 | 0 | 0 | 0 | 114.6 | W240 R246 | W240-H244 AromaticContact CD2-CD2 3.84Å; W240-H244 AromaticContact CE3-CD2 3.22Å; W240-H244 AromaticContact CE3-NE2 3.73Å; W240-H244 AromaticContact CH2-NE2 3.87Å; W240-H244 AromaticContact CZ3-CD2 3.44Å; W240-H244 VanDerWaalsContact CZ3-CD2 3.44Å; W240-H244 WeakPolarHBondContact CZ3-CD2 3.1Å; W240-H244 AromaticContact CZ3-NE2 3.52Å; W240-H244 WeakPolarHBondContact O-CB 3.47Å; W240-H244 PolarHBondContact O-N 3.38Å; H244-R246 VanDerWaalsContact C-N 3.33Å; H244-R246 PolarHBondContact O-N 2.8Å |
| 245 | C | 62.5 | Low | 68.9 | Low | 64 Ų | 64 | 121.7 Ų | 121.7 | 43% | 0.432 | 61% | 0.609 | S | S | . | * | trans | -74.4 | 88.4 | 164 | -76.5 | 0 | 0 | 0 | 0 | 109.3 | A241 | A241-C245 WeakPolarHBondContact O-CA 3.24Å; A241-C245 WeakPolarHBondContact O-CB 3.28Å; A241-C245 PolarHBondContact O-N 2.85Å; A241-C245 PolarHBondContact O-SG 2.91Å | ||
| 246 | R | 61.8 | Low | 66.5 | Low | 197 Ų | 197 | 126 Ų | 126 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -59.5 | 141 | 161.8 | -74.1 | -173.4 | 177.7 | 165 | -0.2 | 109.5 | H244 D248 S249 | H244-R246 VanDerWaalsContact C-N 3.33Å; H244-R246 PolarHBondContact O-N 2.8Å; R246-D248 PolarHBondContact O-N 3.45Å; R246-S249 PolarHBondContact O-N 3.45Å | ||
| 247 | P | 57.5 | Low | 64.4 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -55.4 | -27.5 | -177.9 | 18.6 | -30.1 | 0 | 0 | 0 | 113.6 | S249 | P247-S249 VanDerWaalsContact C-N 3.33Å; P247-S249 PolarHBondContact O-N 3.5Å |
| 248 | D | 55.2 | Low | 62.7 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.3 | -19.8 | 179.6 | -62.8 | -30.5 | 0 | 0 | 0 | 114.6 | R246 | R246-D248 PolarHBondContact O-N 3.45Å |
| 249 | S | 56 | Low | 60.6 | Low | 80 Ų | 80 | 135.1 Ų | 135.1 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -90.7 | -31.4 | -175.7 | -140 | 0 | 0 | 0 | 0 | 113.3 | R246 P247 Q251 K252 | R246-S249 PolarHBondContact O-N 3.45Å; P247-S249 VanDerWaalsContact C-N 3.33Å; P247-S249 PolarHBondContact O-N 3.5Å; S249-Q251 PolarHBondContact O-N 2.85Å; S249-K252 PolarHBondContact O-N 3.49Å |
| 250 | C | 55.6 | Low | 58.6 | Low | 58 Ų | 58 | 132.8 Ų | 132.8 | 39% | 0.392 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.3 | -13.9 | 177.6 | -75.3 | 0 | 0 | 0 | 0 | 113.7 | K252 Y253 | C250-K252 PolarHBondContact O-N 2.85Å; C250-Y253 PolarHBondContact O-N 3.4Å |
| 251 | Q | 53.6 | Low | 56.8 | Low | 153 Ų | 153 | 130.3 Ų | 130.3 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -19.2 | 174.9 | -162 | 172.5 | -5.1 | 0 | 0 | 112.9 | S249 | S249-Q251 PolarHBondContact O-N 2.85Š|
| 252 | K | 53.4 | Low | 55.3 | Low | 178 Ų | 178 | 136.5 Ų | 136.5 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -22.3 | 174.7 | -77.4 | -174.2 | 177.3 | 179.4 | 0 | 114.3 | S249 C250 | S249-K252 PolarHBondContact O-N 3.49Å; C250-K252 PolarHBondContact O-N 2.85Å |
| 253 | Y | 52.8 | Low | 53.9 | Low | 213 Ų | 213 | 136 Ų | 136 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -21.4 | 179.3 | -86.7 | -85.2 | 0 | 0 | 0 | 113.1 | C250 Q255 | C250-Y253 PolarHBondContact O-N 3.4Å; Y253-Q255 PolarHBondContact O-N 3.05Å |
| 254 | F | 49.6 | Very low | 52.6 | Low | 177 Ų | 177 | 139.7 Ų | 139.7 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -95.8 | 75.5 | 165.5 | -75.2 | -82.2 | 0 | 0 | 0 | 109.9 | K256 | F254-K256 PolarHBondContact O-N 3.26Š| ||
| 255 | Q | 43.8 | Very low | 51.2 | Low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -64.5 | 108.7 | 156.3 | -77.2 | -155.1 | -5.8 | 0 | 0 | 107.3 | Y253 E257 | Y253-Q255 PolarHBondContact O-N 3.05Å; Q255-E257 PolarHBondContact O-N 2.86Å; Q255-E257 VanDerWaalsContact O-N 3.1Å | ||
| 256 | K | 42.6 | Very low | 50.4 | Low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -59.9 | 112.2 | 158.7 | -79 | -177.9 | 176.1 | 177.9 | 0 | 106.3 | F254 | F254-K256 PolarHBondContact O-N 3.26Š| ||
| 257 | E | 47.5 | Very low | 49.3 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.3 | 166.2 | -72 | -177 | 154.7 | 0 | 0 | 108.3 | Q255 L259 | Q255-E257 PolarHBondContact O-N 2.86Å; Q255-E257 VanDerWaalsContact O-N 3.1Å; E257-L259 PolarHBondContact O-N 2.85Å |
| 258 | P | 55.3 | Low | 48.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.6 | 171.5 | 25.6 | -30.4 | 0 | 0 | 0 | 108.5 | ||
| 259 | L | 44 | Very low | 47.6 | Very low | 132 Ų | 132 | 137 Ų | 137 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 131.9 | 175.6 | -109.3 | 76.3 | 0 | 0 | 0 | 109.8 | E257 S261 L263 | E257-L259 PolarHBondContact O-N 2.85Å; L259-S261 PolarHBondContact O-N 3Å; L259-L263 HydrophobicContact CD2-CB 4.25Å; L259-L263 HydrophobicContact CD2-CD1 3.71Å; L259-L263 HydrophobicContact CG-CD1 4.29Å |
| 260 | P | 44.3 | Very low | 46.5 | Very low | 84 Ų | 84 | 144.7 Ų | 144.7 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 139.8 | 176 | 24.6 | -32.2 | 0 | 0 | 0 | 109.7 | F262 L263 | P260-F262 HydrophobicContact CB-CD2 4.2Å; P260-F262 PolarHBondContact O-N 3.23Å; P260-L263 PolarHBondContact O-N 3.37Å |
| 261 | S | 49.5 | Very low | 45.6 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 12.9 | -172.9 | 27.2 | 0 | 0 | 0 | 0 | 115.7 | L259 | L259-S261 PolarHBondContact O-N 3Š|
| 262 | F | 48.7 | Very low | 44.7 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 77% | 0.772 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -8.6 | 174.3 | -59.3 | -78.9 | 0 | 0 | 0 | 113.7 | P260 | P260-F262 HydrophobicContact CB-CD2 4.2Å; P260-F262 PolarHBondContact O-N 3.23Å |
| 263 | L | 50.5 | Low | 43.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -98.3 | 1.7 | 178.7 | -75.5 | 166.8 | 0 | 0 | 0 | 114.2 | L259 P260 | L259-L263 HydrophobicContact CD2-CB 4.25Å; L259-L263 HydrophobicContact CD2-CD1 3.71Å; L259-L263 HydrophobicContact CG-CD1 4.29Å; P260-L263 PolarHBondContact O-N 3.37Å |
| 264 | I | 51.3 | Low | 43.1 | Very low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -102.6 | 68.5 | 170.8 | -55.7 | 170.8 | 0 | 0 | 0 | 107.3 | ||
| 265 | G | 40.3 | Very low | 42.5 | Very low | 46 Ų | 46 | 139.8 Ų | 139.8 | 47% | 0.474 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -174.6 | 125.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | V267 | G265-V267 PolarHBondContact O-N 3.42Š|
| 266 | N | 45.3 | Very low | 42 | Very low | 177 Ų | 177 | 139 Ų | 139 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | -54.3 | 97.8 | -178.8 | -84.5 | -13.4 | 0 | 0 | 0 | 110.7 | ||||
| 267 | V | 38 | Very low | 41.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -107.2 | 104.7 | 168.5 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | G265 V269 | G265-V267 PolarHBondContact O-N 3.42Å; V267-V269 HydrophobicContact CG1-CG2 4.15Å; V267-V269 PolarHBondContact O-N 2.92Å; V267-V269 VanDerWaalsContact O-N 3.17Å | ||
| 268 | T | 38.5 | Very low | 41 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | -67.4 | 104.5 | 165.7 | 46.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 269 | V | 38.4 | Very low | 40 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | trans | -85.2 | 115.9 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | V267 I271 | V267-V269 HydrophobicContact CG1-CG2 4.15Å; V267-V269 PolarHBondContact O-N 2.92Å; V267-V269 VanDerWaalsContact O-N 3.17Å; V269-I271 HydrophobicContact CG1-CG1 4.09Å; V269-I271 PolarHBondContact O-N 3.18Å | ||
| 270 | W | 33.8 | Very low | 39.3 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | trans | -77.5 | 108.2 | 169.6 | -69.3 | 91.4 | 0 | 0 | 0 | 108.9 | ||||
| 271 | I | 36.1 | Very low | 38.9 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -93.5 | 105.2 | 170.9 | -56.5 | 173.9 | 0 | 0 | 0 | 106.8 | V269 I273 | V269-I271 HydrophobicContact CG1-CG1 4.09Å; V269-I271 PolarHBondContact O-N 3.18Å; I271-I273 HydrophobicContact CG2-CG1 4.33Å; I271-I273 PolarHBondContact O-N 3.38Å | ||
| 272 | A | 35.2 | Very low | 37.9 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -73.6 | 112.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P274 | A272-P274 WeakPolarHBondContact O-CD 3.45Š| ||
| 273 | I | 35.1 | Very low | 37.2 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 114.7 | 175.8 | -58.4 | 171.4 | 0 | 0 | 0 | 107.4 | I271 | I271-I273 HydrophobicContact CG2-CG1 4.33Å; I271-I273 PolarHBondContact O-N 3.38Å | ||
| 274 | P | 37 | Very low | 36.4 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -79.5 | 126.7 | 172.6 | -1.2 | 20 | 0 | 0 | 0 | 109 | A272 | A272-P274 WeakPolarHBondContact O-CD 3.45Š| ||
| 275 | Q | 37 | Very low | 35.4 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -80.2 | 133.8 | 176.4 | -169.1 | 174.9 | -45 | 0 | 0 | 110.1 | ||||
| 276 | Q | 34.1 | Very low | 35 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 94.2 | 106.6 | 154.2 | -126.4 | 158.5 | -41.5 | 0 | 0 | 119.9 | ||||
| 277 | R | 33.5 | Very low | 34.2 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | 54.2 | 112.4 | 124.1 | -162.9 | 176.2 | -72.7 | -100.2 | 1.5 | 119.6 | |||||
| 278 | E | 35.1 | Very low | 33.9 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 122.1 | 152.1 | -79.7 | 172.3 | 161.6 | 0 | 0 | 120.4 | ||||
| 279 | E | 34.7 | Very low | 33.4 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 59.3 | 95.3 | 147.1 | -68 | -72.4 | 151.4 | 0 | 0 | 118.3 | ||||
| 280 | L | 29.8 | Very low | 33.1 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 170.9 | 153.3 | 108.5 | -121.1 | 73.2 | 0 | 0 | 0 | 112.2 | |||||
| 281 | S | 35.7 | Very low | 33 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -27.2 | 133.7 | 167.3 | 56.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 282 | A | 29 | Very low | 32.8 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -164.3 | 116.7 | 141.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 283 | V | 33 | Very low | 32.6 | Very low | 146 Ų | 146 | 153 Ų | 153 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -103 | 114.7 | 162.4 | 175.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 284 | T | 33.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 126.3 | -179.6 | -43.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 285 | V | 31 | Very low | 32.2 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -85.7 | 126.1 | 178.6 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | W287 | V285-W287 HydrophobicContact CG1-CZ2 4.31Š| ||
| 286 | V | 32.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 151 Ų | 151 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -110 | 120 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 287 | W | 26.9 | Very low | 31.7 | Very low | 230 Ų | 230 | 150.9 Ų | 150.9 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -94.6 | 134.6 | 175 | -64.4 | 91.5 | 0 | 0 | 0 | 110 | V285 | V285-W287 HydrophobicContact CG1-CZ2 4.31Š| ||
| 288 | V | 31.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -122.1 | 124.3 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 289 | Q | 29.2 | Very low | 31.4 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -108.2 | 129.9 | -176.8 | -160.2 | 170.6 | -5.9 | 0 | 0 | 109 | ||||
| 290 | T | 31.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -112.6 | 120.1 | 178.9 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 291 | Q | 31.7 | Very low | 31.2 | Very low | 196 Ų | 196 | 155 Ų | 155 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -84.1 | 140.2 | 166 | -84.7 | -167.5 | -46.9 | 0 | 0 | 110.5 | ||||
| 292 | R | 31.9 | Very low | 31 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -119.5 | 119.3 | 173.1 | -173.3 | 174.4 | -72 | 177.7 | -1.8 | 109.7 | ||||
| 293 | S | 32 | Very low | 31.1 | Very low | 117 Ų | 117 | 155.7 Ų | 155.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -93.7 | 146.2 | 172.6 | -178 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 294 | S | 29.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 155.5 Ų | 155.5 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -73 | 152.6 | -179.9 | 162.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 295 | E | 32.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 65% | 0.654 | 76% | 0.764 | S | S | * | * | 149.4 | 135 | 112 | -163.2 | 151.7 | -178.1 | 0 | 0 | 116.9 | |||||
| 296 | K | 30.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 165.6 Ų | 165.6 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | 74.9 | 136.1 | 159 | -76.8 | 161.1 | -165.9 | 152.2 | 0 | 119.2 | ||||
| 297 | D | 30 | Very low | 31.3 | Very low | 153 Ų | 153 | 167.6 Ų | 167.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -158.6 | 164.6 | 52 | -157.2 | 7 | 0 | 0 | 0 | 115.2 | |||||
| 298 | K | 31.8 | Very low | 31.5 | Very low | 182 Ų | 182 | 164.3 Ų | 164.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -94.9 | 162 | -169 | -63.2 | 171.1 | 175.2 | 178.4 | 0 | 114.9 | ||||
| 299 | R | 29.6 | Very low | 31.5 | Very low | 238 Ų | 238 | 166.3 Ų | 166.3 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | 175.1 | 108.5 | 139.4 | -100.8 | -174.6 | -75.6 | -166.9 | 0.1 | 108.3 | ||||
| 300 | F | 28.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 164.8 Ų | 164.8 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 44 | 120.6 | 75.8 | -115.3 | -92.6 | 0 | 0 | 0 | 112.8 | |||||
| 301 | Y | 33 | Very low | 31.6 | Very low | 188 Ų | 188 | 167.2 Ų | 167.2 | 74% | 0.737 | 78% | 0.781 | S | S | * | * | -152 | 138 | 60.5 | -78.7 | -91.3 | 0 | 0 | 0 | 110.4 | |||||
| 302 | E | 31.6 | Very low | 31.6 | Very low | 150 Ų | 150 | 165.3 Ų | 165.3 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 69.7 | 131.6 | 79.4 | -154.7 | 163.7 | -161.9 | 0 | 0 | 112.5 | |||||
| 303 | G | 29.8 | Very low | 31.6 | Very low | 61 Ų | 61 | 159.7 Ų | 159.7 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | -160.2 | 155.6 | 4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 304 | E | 32.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 163 Ų | 163 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | 70.5 | 128.6 | 78.9 | -122.7 | 179.1 | -175.5 | 0 | 0 | 111.2 | |||||
| 305 | Y | 30.9 | Very low | 31.7 | Very low | 173 Ų | 173 | 168.6 Ų | 168.6 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -166.5 | 154.2 | 46.3 | -97.5 | -83.5 | 0 | 0 | 0 | 112.1 | ||||
| 306 | K | 39.2 | Very low | 31.6 | Very low | 269 Ų | 269 | 171.2 Ų | 171.2 | 100% | 1.17 | 77% | 0.774 | S | S | * | * | trans | 73 | 0 | 152.9 | -74.1 | -178.3 | -179.6 | 179.7 | 0 | 119.6 |
Retrieved 306 of 306 residues in 137.4 ms
(Link to these results)