| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 88.3 | Confident | 96.1 | Very high | 245 Ų | 245 | 122.4 Ų | 122.4 | 100% | 1.207 | 62% | 0.618 | S | S | * | * | 0 | 147.8 | 0 | -101.1 | 149.8 | 63.7 | 0 | 0 | 108.5 | |||||
| 2 | T | 95.3 | Very high | 96.1 | Very high | 121 Ų | 121 | 119.5 Ų | 119.5 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | trans | -109.3 | 145.7 | -179.5 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | T | 96.1 | Very high | 96 | Very high | 134 Ų | 134 | 122.1 Ų | 122.1 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 131.5 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 4 | F | 97.4 | Very high | 95.7 | Very high | 113 Ų | 113 | 125.1 Ų | 125.1 | 50% | 0.496 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 147.2 | 178.8 | -66.7 | -78.6 | 0 | 0 | 0 | 111.9 | E8 I9 L12 | F4-E8 HydrophobicContact CB-CB 4.37Å; F4-E8 HydrophobicContact CD1-CB 3.96Å; F4-I9 HydrophobicContact CB-CD1 3.57Å; F4-I9 HydrophobicContact CB-CG1 3.92Å; F4-I9 HydrophobicContact CD2-CD1 4.12Å; F4-I9 HydrophobicContact CG-CD1 3.91Å; F4-L12 HydrophobicContact CD1-CD1 4.38Å; F4-L12 HydrophobicContact CE1-CD1 4.09Å; F4-L12 HydrophobicContact CZ-CD1 4.42Å |
| 5 | T | 98.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 120.5 Ų | 120.5 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 158.1 | 164.8 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | Q7 E8 I9 | T5-Q7 PolarHBondContact O-N 3.24Å; T5-E8 WeakPolarHBondContact CB-OE2 3.48Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.43Å; T5-E8 PolarHBondContact N-OE2 3.45Å; T5-E8 PolarHBondContact O-N 2.66Å; T5-E8 VanDerWaalsContact O-N 3.11Å; T5-E8 VanDerWaalsContact OG1-CD 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.98Å; T5-E8 PolarHBondContact OG1-OE2 3.21Å; T5-I9 WeakPolarHBondContact O-CG1 3.27Å; T5-I9 PolarHBondContact O-N 3.03Å; T5-I9 VanDerWaalsContact O-N 3.11Å |
| 6 | Q | 97.6 | Very high | 95.4 | Very high | 126 Ų | 126 | 115 Ų | 115 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.2 | -38.1 | 177.5 | -176.4 | 57.6 | 38.9 | 0 | 0 | 112.4 | E8 I9 E10 | Q6-E8 PolarHBondContact O-N 3.33Å; Q6-I9 PolarHBondContact O-N 2.77Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 3.25Å; Q6-E10 WeakPolarHBondContact O-CG 3.48Å; Q6-E10 PolarHBondContact O-N 2.85Å |
| 7 | Q | 97.8 | Very high | 95.3 | Very high | 159 Ų | 159 | 116.6 Ų | 116.6 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.5 | -39.5 | 177.5 | -66.5 | 179 | -0.3 | 0 | 0 | 112.2 | T5 F11 | T5-Q7 PolarHBondContact O-N 3.24Å; Q7-F11 VanDerWaalsContact O-CB 3.31Å; Q7-F11 WeakPolarHBondContact O-CB 3.44Å; Q7-F11 PolarHBondContact O-N 2.69Å |
| 8 | E | 96.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 118 Ų | 118 | 41% | 0.411 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 176.3 | -71 | 164.2 | 132.2 | 0 | 0 | 111.6 | F4 T5 Q6 F11 L12 | F4-E8 HydrophobicContact CB-CB 4.37Å; F4-E8 HydrophobicContact CD1-CB 3.96Å; T5-E8 WeakPolarHBondContact CB-OE2 3.48Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.43Å; T5-E8 PolarHBondContact N-OE2 3.45Å; T5-E8 PolarHBondContact O-N 2.66Å; T5-E8 VanDerWaalsContact O-N 3.11Å; T5-E8 VanDerWaalsContact OG1-CD 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.98Å; T5-E8 PolarHBondContact OG1-OE2 3.21Å; Q6-E8 PolarHBondContact O-N 3.33Å; E8-F11 PolarHBondContact O-N 3.38Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 3.38Å |
| 9 | I | 96.9 | Very high | 95 | Very high | 56 Ų | 56 | 115.3 Ų | 115.3 | 29% | 0.287 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63 | -47.9 | 176.1 | -63.5 | -58 | 0 | 0 | 0 | 111 | F4 T5 Q6 F11 L12 Q13 | F4-I9 HydrophobicContact CB-CD1 3.57Å; F4-I9 HydrophobicContact CB-CG1 3.92Å; F4-I9 HydrophobicContact CD2-CD1 4.12Å; F4-I9 HydrophobicContact CG-CD1 3.91Å; T5-I9 WeakPolarHBondContact O-CG1 3.27Å; T5-I9 PolarHBondContact O-N 3.03Å; T5-I9 VanDerWaalsContact O-N 3.11Å; Q6-I9 PolarHBondContact O-N 2.77Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.94Å; I9-L12 PolarHBondContact O-N 3.13Å; I9-Q13 HydrophobicContact CG2-CG 4.5Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3Å |
| 10 | E | 96.6 | Very high | 94.9 | Very high | 104 Ų | 104 | 111.5 Ų | 111.5 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -40.6 | 177.1 | -73 | 170.2 | -161.5 | 0 | 0 | 111.9 | Q6 Q13 K14 | Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 3.25Å; Q6-E10 WeakPolarHBondContact O-CG 3.48Å; Q6-E10 PolarHBondContact O-N 2.85Å; E10-Q13 PolarHBondContact O-N 3.02Å; E10-K14 WeakPolarHBondContact O-CB 3.19Å; E10-K14 PolarHBondContact O-N 3.45Å |
| 11 | F | 96.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 111.6 Ų | 111.6 | 54% | 0.544 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 175.5 | 178.7 | -92 | 0 | 0 | 0 | 111.8 | Q7 E8 I9 K14 H15 | Q7-F11 VanDerWaalsContact O-CB 3.31Å; Q7-F11 WeakPolarHBondContact O-CB 3.44Å; Q7-F11 PolarHBondContact O-N 2.69Å; E8-F11 PolarHBondContact O-N 3.38Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.94Å; F11-K14 PolarHBondContact O-N 2.88Å; F11-H15 AromaticContact CD2-CE1 3.51Å; F11-H15 AromaticContact CD2-ND1 3.67Å; F11-H15 AromaticContact CE2-CE1 3.19Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.45Å; F11-H15 AromaticContact CE2-ND1 3.55Å; F11-H15 AromaticContact CE2-NE2 3.86Å; F11-H15 AromaticContact CG-ND1 3.99Å; F11-H15 AromaticContact CZ-CE1 3.74Å; F11-H15 AromaticContact CZ-ND1 3.75Å; F11-H15 PolarHBondContact O-N 3.3Å; F11-H15 VanDerWaalsContact O-N 3.15Å; F11-H15 PolarHBondContact O-ND1 3.5Å |
| 12 | L | 95.9 | Very high | 95 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 178.4 | -73.9 | 169 | 0 | 0 | 0 | 112.1 | F4 E8 I9 K14 H15 G16 | F4-L12 HydrophobicContact CD1-CD1 4.38Å; F4-L12 HydrophobicContact CE1-CD1 4.09Å; F4-L12 HydrophobicContact CZ-CD1 4.42Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 3.38Å; I9-L12 PolarHBondContact O-N 3.13Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-K14 PolarHBondContact O-N 3.37Å; L12-H15 PolarHBondContact O-N 3.46Å; L12-G16 WeakPolarHBondContact O-CA 3.41Å; L12-G16 PolarHBondContact O-N 3.01Å |
| 13 | Q | 94.2 | Very high | 95 | Very high | 153 Ų | 153 | 97.2 Ų | 97.2 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 176.9 | -74.7 | 177.7 | 0.5 | 0 | 0 | 112.2 | I9 E10 | I9-Q13 HydrophobicContact CG2-CG 4.5Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3Å; E10-Q13 PolarHBondContact O-N 3.02Å |
| 14 | K | 92.9 | Very high | 94.9 | Very high | 164 Ų | 164 | 93.6 Ų | 93.6 | 71% | 0.713 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.7 | -34.2 | -179.7 | -179 | 176.5 | 174.3 | 177.3 | 0 | 113.3 | E10 F11 L12 | E10-K14 WeakPolarHBondContact O-CB 3.19Å; E10-K14 PolarHBondContact O-N 3.45Å; F11-K14 PolarHBondContact O-N 2.88Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-K14 PolarHBondContact O-N 3.37Å |
| 15 | H | 92.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -94.7 | -62 | -177.8 | -63.7 | 81.2 | 0 | 0 | 0 | 111.2 | F11 L12 V19 | F11-H15 AromaticContact CD2-CE1 3.51Å; F11-H15 AromaticContact CD2-ND1 3.67Å; F11-H15 AromaticContact CE2-CE1 3.19Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.45Å; F11-H15 AromaticContact CE2-ND1 3.55Å; F11-H15 AromaticContact CE2-NE2 3.86Å; F11-H15 AromaticContact CG-ND1 3.99Å; F11-H15 AromaticContact CZ-CE1 3.74Å; F11-H15 AromaticContact CZ-ND1 3.75Å; F11-H15 PolarHBondContact O-N 3.3Å; F11-H15 VanDerWaalsContact O-N 3.15Å; F11-H15 PolarHBondContact O-ND1 3.5Å; L12-H15 PolarHBondContact O-N 3.46Å; H15-V19 WeakPolarHBondContact O-CB 3.31Å; H15-V19 WeakPolarHBondContact O-CG2 3.35Å; H15-V19 PolarHBondContact O-N 3.49Å |
| 16 | G | 93.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 86.9 Ų | 86.9 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | 53.9 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L12 C20 | L12-G16 WeakPolarHBondContact O-CA 3.41Å; L12-G16 PolarHBondContact O-N 3.01Å; G16-C20 VanDerWaalsContact O-CB 3.24Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 2.93Å; G16-C20 PolarHBondContact O-SG 3.1Å |
| 17 | N | 94 | Very high | 94.1 | Very high | 143 Ų | 143 | 86.3 Ų | 86.3 | 77% | 0.765 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73 | -30.5 | -179.8 | -75.2 | -7.1 | 0 | 0 | 0 | 112.8 | C20 K21 | N17-C20 PolarHBondContact O-N 2.89Å; N17-K21 VanDerWaalsContact O-CB 3.29Å; N17-K21 WeakPolarHBondContact O-CB 3.45Å; N17-K21 PolarHBondContact O-N 3.49Å |
| 18 | E | 91.6 | Very high | 93.6 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.8 | -51.2 | -179.3 | -66.9 | -53.4 | 141.3 | 0 | 0 | 111.9 | C20 K21 Q22 | E18-C20 VanDerWaalsContact C-N 3.34Å; E18-C20 PolarHBondContact O-N 3.17Å; E18-K21 PolarHBondContact O-N 2.88Å; E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 3.35Å |
| 19 | V | 92.7 | Very high | 93 | Very high | 66 Ų | 66 | 79 Ų | 79 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 177.1 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | H15 K21 Q22 I23 | H15-V19 WeakPolarHBondContact O-CB 3.31Å; H15-V19 WeakPolarHBondContact O-CG2 3.35Å; H15-V19 PolarHBondContact O-N 3.49Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.03Å; V19-Q22 PolarHBondContact O-N 3.4Å; V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.38Å; V19-I23 PolarHBondContact O-N 2.87Å |
| 20 | C | 93.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 81.6 Ų | 81.6 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62 | -33.7 | 176.3 | -71.5 | 0 | 0 | 0 | 0 | 112.7 | G16 N17 E18 I23 W24 | G16-C20 VanDerWaalsContact O-CB 3.24Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 2.93Å; G16-C20 PolarHBondContact O-SG 3.1Å; N17-C20 PolarHBondContact O-N 2.89Å; E18-C20 VanDerWaalsContact C-N 3.34Å; E18-C20 PolarHBondContact O-N 3.17Å; C20-I23 PolarHBondContact O-N 3.44Å; C20-W24 WeakPolarHBondContact O-CB 3.39Å; C20-W24 VanDerWaalsContact O-CD1 3.27Å; C20-W24 PolarHBondContact O-N 3.41Å |
| 21 | K | 92.4 | Very high | 91.1 | Very high | 114 Ų | 114 | 87.7 Ų | 87.7 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 174.9 | -175.9 | 177 | 178.9 | -179.7 | 0 | 110.5 | N17 E18 V19 I23 L25 G26 | N17-K21 VanDerWaalsContact O-CB 3.29Å; N17-K21 WeakPolarHBondContact O-CB 3.45Å; N17-K21 PolarHBondContact O-N 3.49Å; E18-K21 PolarHBondContact O-N 2.88Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.03Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.38Å; K21-L25 HydrophobicContact CG-CB 4.25Å; K21-L25 HydrophobicContact CG-CD1 4.27Å; K21-L25 CarbonylContact O-C 3.48Å; K21-L25 VanDerWaalsContact O-C 3.27Å; K21-L25 VanDerWaalsContact O-CA 3.25Å; K21-L25 WeakPolarHBondContact O-CA 3.15Å; K21-L25 VanDerWaalsContact O-CB 3.28Å; K21-L25 WeakPolarHBondContact O-CB 3.31Å; K21-L25 PolarHBondContact O-N 2.98Å; K21-G26 PolarHBondContact O-N 3.26Å |
| 22 | Q | 92.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 86 Ų | 86 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.8 | -32.3 | 177.7 | -57.9 | -57.2 | -24 | 0 | 0 | 112.9 | E18 V19 G26 A64 A68 | E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 3.35Å; V19-Q22 PolarHBondContact O-N 3.4Å; Q22-G26 WeakPolarHBondContact O-CA 3.09Å; Q22-G26 PolarHBondContact O-N 3.26Å; Q22-A64 HydrophobicContact CB-CB 4.14Å; Q22-A68 HydrophobicContact CB-CB 4.33Å; Q22-A68 VanDerWaalsContact CD-CB 3.43Å; Q22-A68 HydrophobicContact CG-CB 3.7Å |
| 23 | I | 94.9 | Very high | 88.7 | Confident | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.056 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -77.6 | -55.6 | 177.2 | -67.6 | 166.2 | 0 | 0 | 0 | 110.9 | V19 C20 K21 Y58 V59 P61 A64 | V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.38Å; V19-I23 PolarHBondContact O-N 2.87Å; C20-I23 PolarHBondContact O-N 3.44Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.38Å; I23-Y58 HydrophobicContact CG2-CD2 3.83Å; I23-Y58 HydrophobicContact CG2-CE2 3.49Å; I23-Y58 VanDerWaalsContact CG2-CE2 3.49Å; I23-Y58 CarbonylContact O-C 3.27Å; I23-Y58 VanDerWaalsContact O-CA 3.31Å; I23-Y58 WeakPolarHBondContact O-CA 3.25Å; I23-V59 WeakPolarHBondContact CG2-O 3.47Å; I23-V59 PolarHBondContact O-N 2.96Å; I23-P61 HydrophobicContact CD1-CB 4.07Å; I23-P61 HydrophobicContact CD1-CG 3.97Å; I23-P61 HydrophobicContact CG1-CB 4.41Å; I23-P61 HydrophobicContact CG1-CG 4.35Å; I23-A64 HydrophobicContact CG1-CB 3.81Å |
| 24 | W | 95.4 | Very high | 87.6 | Confident | 57 Ų | 57 | 80 Ų | 80 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -89 | -14.5 | -168.8 | -66.7 | 106.8 | 0 | 0 | 0 | 114.5 | C20 K51 Y52 K55 W57 Y58 | C20-W24 WeakPolarHBondContact O-CB 3.39Å; C20-W24 VanDerWaalsContact O-CD1 3.27Å; C20-W24 PolarHBondContact O-N 3.41Å; W24-K51 VanDerWaalsContact CB-CE 3.44Å; W24-K51 HydrophobicContact CB-CG 4.23Å; W24-Y52 HydrophobicContact CB-CE1 4.31Å; W24-Y52 AromaticContact CD1-CE1 3.94Å; W24-Y52 AromaticContact CD2-CD1 3.59Å; W24-Y52 HydrophobicContact CD2-CD1 3.59Å; W24-Y52 AromaticContact CD2-CE1 3.53Å; W24-Y52 HydrophobicContact CD2-CE1 3.53Å; W24-Y52 AromaticContact CE2-CD1 3.8Å; W24-Y52 AromaticContact CE2-CE1 3.74Å; W24-Y52 AromaticContact CE3-CD1 3.52Å; W24-Y52 HydrophobicContact CE3-CD1 3.52Å; W24-Y52 AromaticContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CG-CD1 4.23Å; W24-Y52 AromaticContact CG-CE1 3.68Å; W24-Y52 HydrophobicContact CG-CE1 3.68Å; W24-Y52 AromaticContact CH2-CD1 3.91Å; W24-Y52 HydrophobicContact CH2-CD1 3.91Å; W24-Y52 AromaticContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CE1 4.31Å; W24-Y52 AromaticContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CE1 4.48Å; W24-Y52 AromaticContact NE1-CE1 3.95Å; W24-K55 HydrophobicContact CZ3-CG 4.2Å; W24-W57 CarbonylContact C-O 3.36Å; W24-W57 CarbonylContact O-C 3.56Å; W24-Y58 HydrophobicContact CD2-CD2 4.09Å; W24-Y58 AromaticContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CE2 4.39Å; W24-Y58 HydrophobicContact CE3-CG 4.45Å; W24-Y58 HydrophobicContact CH2-CD2 4.03Å; W24-Y58 HydrophobicContact CH2-CE2 4.15Å; W24-Y58 HydrophobicContact CZ2-CD2 4.46Å; W24-Y58 HydrophobicContact CZ2-CE2 4.36Å; W24-Y58 AromaticContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CE2 4.16Å; W24-Y58 HydrophobicContact CZ3-CG 4.36Å |
| 25 | L | 93.3 | Very high | 87 | Confident | 33 Ų | 33 | 77 Ų | 77 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -132.8 | 23 | -178.7 | -61.7 | 174 | 0 | 0 | 0 | 110.5 | K21 L27 F28 F47 K51 W57 | K21-L25 HydrophobicContact CG-CB 4.25Å; K21-L25 HydrophobicContact CG-CD1 4.27Å; K21-L25 CarbonylContact O-C 3.48Å; K21-L25 VanDerWaalsContact O-C 3.27Å; K21-L25 VanDerWaalsContact O-CA 3.25Å; K21-L25 WeakPolarHBondContact O-CA 3.15Å; K21-L25 VanDerWaalsContact O-CB 3.28Å; K21-L25 WeakPolarHBondContact O-CB 3.31Å; K21-L25 PolarHBondContact O-N 2.98Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-F28 HydrophobicContact CB-CB 3.76Å; L25-F28 HydrophobicContact CB-CG 4.44Å; L25-F28 HydrophobicContact CD2-CB 3.9Å; L25-F28 HydrophobicContact CD2-CD2 3.96Å; L25-F28 HydrophobicContact CD2-CG 3.94Å; L25-F28 HydrophobicContact CG-CB 4.41Å; L25-F28 WeakPolarHBondContact O-CB 3.03Å; L25-F28 PolarHBondContact O-N 3.22Å; L25-F47 HydrophobicContact CD2-CZ 4.31Å; L25-K51 HydrophobicContact CD2-CD 4.18Å; L25-K51 HydrophobicContact CD2-CG 4.38Å; L25-W57 HydrophobicContact CD2-CE3 4.24Å |
| 26 | G | 91.8 | Very high | 86.6 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K21 Q22 W57 V67 | K21-G26 PolarHBondContact O-N 3.26Å; Q22-G26 WeakPolarHBondContact O-CA 3.09Å; Q22-G26 PolarHBondContact O-N 3.26Å; G26-W57 PolarHBondContact N-O 3.36Å; G26-V67 WeakPolarHBondContact O-CG1 3.4Å |
| 27 | L | 89.6 | Confident | 86.2 | Confident | 114 Ų | 114 | 78 Ų | 78 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 2.9 | 173.4 | -55.7 | 176.9 | 0 | 0 | 0 | 113 | L25 W57 V59 | L25-L27 PolarHBondContact O-N 3.46Å; L27-W57 HydrophobicContact CB-CB 4.38Å; L27-V59 HydrophobicContact CD1-CG2 4.49Å; L27-V59 HydrophobicContact CD2-CG2 4.14Å; L27-V59 HydrophobicContact CG-CG2 3.79Å |
| 28 | F | 88.7 | Confident | 85.9 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | trans | -81.4 | 125.2 | -178.2 | -175.1 | -88.7 | 0 | 0 | 0 | 109.2 | L25 S33 F47 W57 | L25-F28 HydrophobicContact CB-CB 3.76Å; L25-F28 HydrophobicContact CB-CG 4.44Å; L25-F28 HydrophobicContact CD2-CB 3.9Å; L25-F28 HydrophobicContact CD2-CD2 3.96Å; L25-F28 HydrophobicContact CD2-CG 3.94Å; L25-F28 HydrophobicContact CG-CB 4.41Å; L25-F28 WeakPolarHBondContact O-CB 3.03Å; L25-F28 PolarHBondContact O-N 3.22Å; F28-S33 VanDerWaalsContact CZ-CB 3.41Å; F28-F47 AromaticContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CZ 4.49Å; F28-W57 HydrophobicContact CB-CB 4.17Å; F28-W57 HydrophobicContact CB-CD2 4.47Å; F28-W57 HydrophobicContact CB-CG 3.96Å; F28-W57 AromaticContact CD2-CD2 3.77Å; F28-W57 HydrophobicContact CD2-CD2 3.77Å; F28-W57 AromaticContact CD2-CE2 3.63Å; F28-W57 HydrophobicContact CD2-CE3 4.21Å; F28-W57 HydrophobicContact CD2-CG 4.13Å; F28-W57 HydrophobicContact CD2-CH2 4.39Å; F28-W57 AromaticContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ3 4.5Å; F28-W57 AromaticContact CD2-NE1 3.85Å; F28-W57 HydrophobicContact CE2-CH2 4.37Å; F28-W57 HydrophobicContact CE2-CZ2 4.13Å | ||
| 29 | D | 84.8 | Confident | 86 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 32% | 0.321 | 41% | 0.414 | S | S | . | . | trans | -104.4 | 117.8 | 174.2 | 170.5 | 27.2 | 0 | 0 | 0 | 109.5 | R31 S32 S33 | D29-R31 PolarHBondContact O-N 3.35Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact OD1-N 3.14Å; D29-R31 IonicContact OD1-NE 3.15Å; D29-S32 VanDerWaalsContact CB-OG 3.29Å; D29-S32 WeakPolarHBondContact CB-OG 3.24Å; D29-S32 VanDerWaalsContact CG-OG 3.26Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-S32 VanDerWaalsContact OD2-CB 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-OG 3.18Å; D29-S33 WeakPolarHBondContact O-CB 3.48Å; D29-S33 PolarHBondContact O-N 3.36Å; D29-S33 PolarHBondContact O-OG 3.08Å | ||
| 30 | D | 78.9 | Confident | 86.1 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20 | -175.8 | -150.2 | 19.6 | 0 | 0 | 0 | 112.9 | ||
| 31 | R | 74.3 | Confident | 86.1 | Confident | 232 Ų | 232 | 85.2 Ų | 85.2 | 88% | 0.875 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -24.7 | -179.6 | -66.3 | -176.2 | -70.6 | -174.2 | -4.2 | 113.9 | D29 | D29-R31 PolarHBondContact O-N 3.35Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact OD1-N 3.14Å; D29-R31 IonicContact OD1-NE 3.15Å |
| 32 | S | 68.3 | Low | 86.2 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -24.2 | -174.7 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | D29 | D29-S32 VanDerWaalsContact CB-OG 3.29Å; D29-S32 WeakPolarHBondContact CB-OG 3.24Å; D29-S32 VanDerWaalsContact CG-OG 3.26Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-S32 VanDerWaalsContact OD2-CB 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-OG 3.18Å |
| 33 | S | 73.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 86.7 Ų | 86.7 | 18% | 0.175 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -90.7 | 121.8 | 179.5 | -57 | 0 | 0 | 0 | 0 | 109.4 | F28 D29 I35 | F28-S33 VanDerWaalsContact CZ-CB 3.41Å; D29-S33 WeakPolarHBondContact O-CB 3.48Å; D29-S33 PolarHBondContact O-N 3.36Å; D29-S33 PolarHBondContact O-OG 3.08Å; S33-I35 PolarHBondContact O-N 3.25Å; S33-I35 VanDerWaalsContact O-N 3.13Å |
| 34 | A | 71.1 | Confident | 86.3 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 74% | 0.736 | 45% | 0.446 | S | S | * | . | trans | -64.5 | 115.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 35 | I | 80.6 | Confident | 86.3 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | trans | -62.8 | 128.5 | 167 | -59.1 | 177.5 | 0 | 0 | 0 | 107.2 | S33 F38 | S33-I35 PolarHBondContact O-N 3.25Å; S33-I35 VanDerWaalsContact O-N 3.13Å; I35-F38 HydrophobicContact CG2-CE2 3.56Å; I35-F38 HydrophobicContact CG2-CZ 4.1Å | ||
| 36 | P | 83.7 | Confident | 86.3 | Confident | 18 Ų | 18 | 92.4 Ų | 92.4 | 12% | 0.117 | 47% | 0.467 | C | S | . | . | trans | -63.5 | 149.4 | -179.5 | 28.3 | -36.8 | 0 | 0 | 0 | 111.1 | F38 F47 | P36-F38 HydrophobicContact CG-CE1 4.11Å; P36-F38 HydrophobicContact CG-CZ 4.03Å; P36-F38 WeakPolarHBondContact O-CD2 3.36Å; P36-F38 PolarHBondContact O-N 3.26Å; P36-F38 VanDerWaalsContact O-N 3.15Å; P36-F47 HydrophobicContact CB-CB 3.87Å; P36-F47 HydrophobicContact CB-CD2 4.49Å; P36-F47 HydrophobicContact CB-CG 4.16Å; P36-F47 HydrophobicContact CG-CB 3.81Å; P36-F47 HydrophobicContact CG-CD1 3.83Å; P36-F47 HydrophobicContact CG-CD2 3.92Å; P36-F47 HydrophobicContact CG-CE1 4.37Å; P36-F47 HydrophobicContact CG-CE2 4.45Å; P36-F47 HydrophobicContact CG-CG 3.58Å | ||
| 37 | D | 84.1 | Confident | 86.5 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | trans | -69.4 | 110.4 | 168.7 | -174 | -3.8 | 0 | 0 | 0 | 109.4 | R39 D40 | D37-R39 PolarHBondContact O-N 3.48Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.23Å; D37-D40 PolarHBondContact O-N 3.25Å | ||
| 38 | F | 89 | Confident | 86.7 | Confident | 148 Ų | 148 | 91.4 Ų | 91.4 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6.3 | -179.9 | -65.2 | -75.3 | 0 | 0 | 0 | 113.9 | I35 P36 V44 | I35-F38 HydrophobicContact CG2-CE2 3.56Å; I35-F38 HydrophobicContact CG2-CZ 4.1Å; P36-F38 HydrophobicContact CG-CE1 4.11Å; P36-F38 HydrophobicContact CG-CZ 4.03Å; P36-F38 WeakPolarHBondContact O-CD2 3.36Å; P36-F38 PolarHBondContact O-N 3.26Å; P36-F38 VanDerWaalsContact O-N 3.15Å; F38-V44 HydrophobicContact CD1-CG2 3.98Å |
| 39 | R | 92.6 | Very high | 87.1 | Confident | 226 Ų | 226 | 92.6 Ų | 92.6 | 85% | 0.853 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -23.2 | 172.1 | -62.7 | -179.4 | 175 | -172.2 | -0.6 | 112.6 | D37 P41 | D37-R39 PolarHBondContact O-N 3.48Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.49Å |
| 40 | D | 94.8 | Very high | 87.5 | Confident | 65 Ų | 65 | 91.8 Ų | 91.8 | 35% | 0.348 | 46% | 0.457 | S | S | . | . | trans | -102.6 | 107.6 | 179.4 | -176.3 | -3 | 0 | 0 | 0 | 110.7 | D37 Q42 K43 V44 | D37-D40 PolarHBondContact O-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.22Å; D40-Q42 VanDerWaalsContact O-N 3.13Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.29Å; D40-Q42 PolarHBondContact OD1-N 3.35Å; D40-K43 HydrophobicContact CB-CB 4.18Å; D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 PolarHBondContact O-N 3.41Å; D40-K43 VanDerWaalsContact O-N 3.17Å; D40-K43 WeakPolarHBondContact OD2-CG 3.46Å; D40-V44 PolarHBondContact O-N 2.85Å; D40-V44 VanDerWaalsContact O-N 3.15Å | ||
| 41 | P | 94.1 | Very high | 88.3 | Confident | 103 Ų | 103 | 88 Ų | 88 | 67% | 0.669 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -29.7 | 177.8 | -23.6 | 34 | 0 | 0 | 0 | 113.6 | R39 K45 | R39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 2.83Å |
| 42 | Q | 94.7 | Very high | 89.4 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | -179.2 | -173.3 | 66 | 3.7 | 0 | 0 | 111.1 | D40 K45 E46 | D40-Q42 PolarHBondContact O-N 3.22Å; D40-Q42 VanDerWaalsContact O-N 3.13Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.29Å; D40-Q42 PolarHBondContact OD1-N 3.35Å; Q42-K45 PolarHBondContact O-N 2.74Å; Q42-E46 WeakPolarHBondContact O-CG 3.29Å; Q42-E46 PolarHBondContact O-N 3.33Å |
| 43 | K | 94.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 84.2 Ų | 84.2 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.6 | -70.2 | -72.9 | 158.3 | -151.6 | 0 | 112.2 | D40 E46 F47 | D40-K43 HydrophobicContact CB-CB 4.18Å; D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 PolarHBondContact O-N 3.41Å; D40-K43 VanDerWaalsContact O-N 3.17Å; D40-K43 WeakPolarHBondContact OD2-CG 3.46Å; K43-E46 IonicContact NZ-OE2 2.81Å; K43-E46 PolarHBondContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact O-N 3.42Å; K43-F47 WeakPolarHBondContact O-CB 3.33Å; K43-F47 PolarHBondContact O-N 3.44Å |
| 44 | V | 95 | Very high | 91.8 | Very high | 35 Ų | 35 | 89.2 Ų | 89.2 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | F38 D40 F47 L48 | F38-V44 HydrophobicContact CD1-CG2 3.98Å; D40-V44 PolarHBondContact O-N 2.85Å; D40-V44 VanDerWaalsContact O-N 3.15Å; V44-F47 PolarHBondContact O-N 3.22Å; V44-L48 HydrophobicContact CG1-CD1 3.85Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.26Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.45Å |
| 45 | K | 95.3 | Very high | 93 | Very high | 111 Ų | 111 | 90.2 Ų | 90.2 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 176.8 | -178.5 | -177.7 | 176.3 | -177.1 | 0 | 111.8 | P41 Q42 F47 L48 Q49 | P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 2.83Å; Q42-K45 PolarHBondContact O-N 2.74Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 3.43Å; K45-L48 PolarHBondContact O-N 3.15Å; K45-Q49 WeakPolarHBondContact O-CG 3.4Å; K45-Q49 PolarHBondContact O-N 2.86Å |
| 46 | E | 94.5 | Very high | 93.6 | Very high | 75 Ų | 75 | 92.5 Ų | 92.5 | 35% | 0.35 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55 | -50.3 | 176.8 | -74.9 | 170.8 | -172.9 | 0 | 0 | 110.5 | Q42 K43 L48 Q49 E50 | Q42-E46 WeakPolarHBondContact O-CG 3.29Å; Q42-E46 PolarHBondContact O-N 3.33Å; K43-E46 IonicContact NZ-OE2 2.81Å; K43-E46 PolarHBondContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact O-N 3.42Å; E46-L48 PolarHBondContact O-N 3.03Å; E46-Q49 WeakPolarHBondContact O-CB 3.32Å; E46-Q49 PolarHBondContact O-N 3.2Å; E46-E50 VanDerWaalsContact O-CG 3.31Å; E46-E50 WeakPolarHBondContact O-CG 3.39Å; E46-E50 PolarHBondContact O-N 3.34Å |
| 47 | F | 94.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 92.9 Ų | 92.9 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.8 | 176.5 | -97.9 | 0 | 0 | 0 | 112.9 | L25 F28 P36 K43 V44 K45 Q49 E50 K51 W57 | L25-F47 HydrophobicContact CD2-CZ 4.31Å; F28-F47 AromaticContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CZ 4.49Å; P36-F47 HydrophobicContact CB-CB 3.87Å; P36-F47 HydrophobicContact CB-CD2 4.49Å; P36-F47 HydrophobicContact CB-CG 4.16Å; P36-F47 HydrophobicContact CG-CB 3.81Å; P36-F47 HydrophobicContact CG-CD1 3.83Å; P36-F47 HydrophobicContact CG-CD2 3.92Å; P36-F47 HydrophobicContact CG-CE1 4.37Å; P36-F47 HydrophobicContact CG-CE2 4.45Å; P36-F47 HydrophobicContact CG-CG 3.58Å; K43-F47 WeakPolarHBondContact O-CB 3.33Å; K43-F47 PolarHBondContact O-N 3.44Å; V44-F47 PolarHBondContact O-N 3.22Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 3.43Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.07Å; F47-E50 PolarHBondContact O-N 2.83Å; F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.48Å; F47-K51 WeakPolarHBondContact O-CB 3.48Å; F47-K51 PolarHBondContact O-N 3.15Å; F47-W57 HydrophobicContact CD2-CH2 4.04Å; F47-W57 HydrophobicContact CD2-CZ3 4.04Å; F47-W57 AromaticContact CE2-CH2 3.84Å; F47-W57 HydrophobicContact CE2-CH2 3.84Å; F47-W57 AromaticContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CZ-CZ3 4.37Å |
| 48 | L | 95 | Very high | 94.7 | Very high | 74 Ų | 74 | 91.7 Ų | 91.7 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 178.7 | -70 | 172.6 | 0 | 0 | 0 | 112.2 | V44 K45 E46 K51 Y52 | V44-L48 HydrophobicContact CG1-CD1 3.85Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.26Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.45Å; K45-L48 PolarHBondContact O-N 3.15Å; E46-L48 PolarHBondContact O-N 3.03Å; L48-K51 PolarHBondContact O-N 3.14Å; L48-Y52 HydrophobicContact CB-CD2 4.46Å; L48-Y52 HydrophobicContact CD2-CD2 4.07Å; L48-Y52 HydrophobicContact CD2-CE2 3.64Å; L48-Y52 WeakPolarHBondContact O-CD2 3.36Å; L48-Y52 PolarHBondContact O-N 2.94Å |
| 49 | Q | 96.3 | Very high | 95 | Very high | 61 Ų | 61 | 84.9 Ų | 84.9 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -64.1 | -44.6 | 171.8 | -72 | -177.3 | -17.1 | 0 | 0 | 111 | K45 E46 F47 K51 E53 K54 | K45-Q49 WeakPolarHBondContact O-CG 3.4Å; K45-Q49 PolarHBondContact O-N 2.86Å; E46-Q49 WeakPolarHBondContact O-CB 3.32Å; E46-Q49 PolarHBondContact O-N 3.2Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.07Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 3.06Å; Q49-E53 CarbonylContact O-C 3.59Å; Q49-E53 WeakPolarHBondContact O-CA 3.32Å; Q49-E53 VanDerWaalsContact O-CB 3.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.32Å; Q49-E53 PolarHBondContact O-N 3.27Å; Q49-K54 PolarHBondContact O-N 2.93Å |
| 50 | E | 94.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 76.4 Ų | 76.4 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -62.3 | -39.4 | 176.2 | -58.5 | -149.3 | 151.5 | 0 | 0 | 112 | E46 F47 K54 K55 R56 W57 | E46-E50 VanDerWaalsContact O-CG 3.31Å; E46-E50 WeakPolarHBondContact O-CG 3.39Å; E46-E50 PolarHBondContact O-N 3.34Å; F47-E50 PolarHBondContact O-N 2.83Å; E50-K54 HydrophobicContact CG-CD 4.11Å; E50-K54 IonicContact OE1-NZ 2.78Å; E50-K54 PolarHBondContact OE1-NZ 3Å; E50-K54 VanDerWaalsContact OE1-NZ 3.15Å; E50-K55 PolarHBondContact O-N 3.15Å; E50-K55 VanDerWaalsContact O-N 3.15Å; E50-R56 HydrophobicContact CB-CB 4.32Å; E50-R56 WeakPolarHBondContact O-CB 3.41Å; E50-R56 PolarHBondContact O-N 3.11Å; E50-R56 IonicContact OE1-NH1 3.94Å; E50-R56 WeakPolarHBondContact OE2-CD 3.31Å; E50-R56 IonicContact OE2-CZ 3.97Å; E50-R56 IonicContact OE2-NE 3.73Å; E50-R56 IonicContact OE2-NH1 3.72Å; E50-R56 PolarHBondContact OE2-NH1 2.77Å; E50-W57 HydrophobicContact CB-CH2 4.33Å; E50-W57 HydrophobicContact CB-CZ3 4.11Å |
| 51 | K | 95.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -68.6 | -50.7 | 180 | -172.8 | 178.4 | 179.6 | -175.3 | 0 | 112.8 | W24 L25 F47 L48 Q49 W57 | W24-K51 VanDerWaalsContact CB-CE 3.44Å; W24-K51 HydrophobicContact CB-CG 4.23Å; L25-K51 HydrophobicContact CD2-CD 4.18Å; L25-K51 HydrophobicContact CD2-CG 4.38Å; F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.48Å; F47-K51 WeakPolarHBondContact O-CB 3.48Å; F47-K51 PolarHBondContact O-N 3.15Å; L48-K51 PolarHBondContact O-N 3.14Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 3.06Å; K51-W57 HydrophobicContact CB-CZ3 4.49Å |
| 52 | Y | 96.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 78.5 Ų | 78.5 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -104.5 | -35.4 | -168.9 | -63.5 | -64.4 | 0 | 0 | 0 | 114.6 | W24 L48 | W24-Y52 HydrophobicContact CB-CE1 4.31Å; W24-Y52 AromaticContact CD1-CE1 3.94Å; W24-Y52 AromaticContact CD2-CD1 3.59Å; W24-Y52 HydrophobicContact CD2-CD1 3.59Å; W24-Y52 AromaticContact CD2-CE1 3.53Å; W24-Y52 HydrophobicContact CD2-CE1 3.53Å; W24-Y52 AromaticContact CE2-CD1 3.8Å; W24-Y52 AromaticContact CE2-CE1 3.74Å; W24-Y52 AromaticContact CE3-CD1 3.52Å; W24-Y52 HydrophobicContact CE3-CD1 3.52Å; W24-Y52 AromaticContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CG-CD1 4.23Å; W24-Y52 AromaticContact CG-CE1 3.68Å; W24-Y52 HydrophobicContact CG-CE1 3.68Å; W24-Y52 AromaticContact CH2-CD1 3.91Å; W24-Y52 HydrophobicContact CH2-CD1 3.91Å; W24-Y52 AromaticContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CE1 4.31Å; W24-Y52 AromaticContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CE1 4.48Å; W24-Y52 AromaticContact NE1-CE1 3.95Å; L48-Y52 HydrophobicContact CB-CD2 4.46Å; L48-Y52 HydrophobicContact CD2-CD2 4.07Å; L48-Y52 HydrophobicContact CD2-CE2 3.64Å; L48-Y52 WeakPolarHBondContact O-CD2 3.36Å; L48-Y52 PolarHBondContact O-N 2.94Å |
| 53 | E | 95.9 | Very high | 94.3 | Very high | 141 Ų | 141 | 79.1 Ų | 79.1 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -87.6 | -55.5 | 179.9 | -60.8 | 178.9 | -167.2 | 0 | 0 | 111 | Q49 K55 | Q49-E53 CarbonylContact O-C 3.59Å; Q49-E53 WeakPolarHBondContact O-CA 3.32Å; Q49-E53 VanDerWaalsContact O-CB 3.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.32Å; Q49-E53 PolarHBondContact O-N 3.27Å; E53-K55 PolarHBondContact O-N 3.4Å |
| 54 | K | 96.4 | Very high | 94.1 | Very high | 131 Ų | 131 | 74.6 Ų | 74.6 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -77.4 | -11.8 | 179.1 | -50.3 | -175.1 | -168 | 165.7 | 0 | 112.8 | Q49 E50 R56 | Q49-K54 PolarHBondContact O-N 2.93Å; E50-K54 HydrophobicContact CG-CD 4.11Å; E50-K54 IonicContact OE1-NZ 2.78Å; E50-K54 PolarHBondContact OE1-NZ 3Å; E50-K54 VanDerWaalsContact OE1-NZ 3.15Å; K54-R56 PolarHBondContact O-N 3.11Å; K54-R56 VanDerWaalsContact O-N 3.14Å |
| 55 | K | 95.6 | Very high | 93.5 | Very high | 109 Ų | 109 | 79.8 Ų | 79.8 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | trans | 52.7 | 35.8 | 178.3 | -70.5 | -174.1 | -178.3 | -179.9 | 0 | 112.9 | W24 E50 E53 W57 Y58 | W24-K55 HydrophobicContact CZ3-CG 4.2Å; E50-K55 PolarHBondContact O-N 3.15Å; E50-K55 VanDerWaalsContact O-N 3.15Å; E53-K55 PolarHBondContact O-N 3.4Å; K55-W57 PolarHBondContact O-N 2.72Å; K55-W57 VanDerWaalsContact O-N 3.15Å; K55-Y58 HydrophobicContact CB-CG 4.23Å; K55-Y58 HydrophobicContact CD-CD1 4.13Å; K55-Y58 HydrophobicContact CD-CG 4.17Å; K55-Y58 HydrophobicContact CG-CG 4.27Å; K55-Y58 WeakPolarHBondContact O-CB 3.17Å; K55-Y58 PolarHBondContact O-N 3.35Å | ||
| 56 | R | 94.8 | Very high | 93 | Very high | 150 Ų | 150 | 78.8 Ų | 78.8 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -37.3 | -169.7 | -177.5 | 166.3 | -177 | 168.5 | 1.7 | 113.4 | E50 K54 | E50-R56 HydrophobicContact CB-CB 4.32Å; E50-R56 WeakPolarHBondContact O-CB 3.41Å; E50-R56 PolarHBondContact O-N 3.11Å; E50-R56 IonicContact OE1-NH1 3.94Å; E50-R56 WeakPolarHBondContact OE2-CD 3.31Å; E50-R56 IonicContact OE2-CZ 3.97Å; E50-R56 IonicContact OE2-NE 3.73Å; E50-R56 IonicContact OE2-NH1 3.72Å; E50-R56 PolarHBondContact OE2-NH1 2.77Å; K54-R56 PolarHBondContact O-N 3.11Å; K54-R56 VanDerWaalsContact O-N 3.14Å |
| 57 | W | 94.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 19.6 | 178.9 | -51.3 | -79.1 | 0 | 0 | 0 | 112.8 | W24 L25 G26 L27 F28 F47 E50 K51 K55 | W24-W57 CarbonylContact C-O 3.36Å; W24-W57 CarbonylContact O-C 3.56Å; L25-W57 HydrophobicContact CD2-CE3 4.24Å; G26-W57 PolarHBondContact N-O 3.36Å; L27-W57 HydrophobicContact CB-CB 4.38Å; F28-W57 HydrophobicContact CB-CB 4.17Å; F28-W57 HydrophobicContact CB-CD2 4.47Å; F28-W57 HydrophobicContact CB-CG 3.96Å; F28-W57 AromaticContact CD2-CD2 3.77Å; F28-W57 HydrophobicContact CD2-CD2 3.77Å; F28-W57 AromaticContact CD2-CE2 3.63Å; F28-W57 HydrophobicContact CD2-CE3 4.21Å; F28-W57 HydrophobicContact CD2-CG 4.13Å; F28-W57 HydrophobicContact CD2-CH2 4.39Å; F28-W57 AromaticContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ3 4.5Å; F28-W57 AromaticContact CD2-NE1 3.85Å; F28-W57 HydrophobicContact CE2-CH2 4.37Å; F28-W57 HydrophobicContact CE2-CZ2 4.13Å; F47-W57 HydrophobicContact CD2-CH2 4.04Å; F47-W57 HydrophobicContact CD2-CZ3 4.04Å; F47-W57 AromaticContact CE2-CH2 3.84Å; F47-W57 HydrophobicContact CE2-CH2 3.84Å; F47-W57 AromaticContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CZ-CZ3 4.37Å; E50-W57 HydrophobicContact CB-CH2 4.33Å; E50-W57 HydrophobicContact CB-CZ3 4.11Å; K51-W57 HydrophobicContact CB-CZ3 4.49Å; K55-W57 PolarHBondContact O-N 2.72Å; K55-W57 VanDerWaalsContact O-N 3.15Å |
| 58 | Y | 95.4 | Very high | 91.7 | Very high | 67 Ų | 67 | 77 Ų | 77 | 26% | 0.263 | 37% | 0.366 | S | S | . | . | trans | -74 | 133.3 | -179 | 176.7 | -99.7 | 0 | 0 | 0 | 111.3 | I23 W24 K55 P60 | I23-Y58 HydrophobicContact CG2-CD2 3.83Å; I23-Y58 HydrophobicContact CG2-CE2 3.49Å; I23-Y58 VanDerWaalsContact CG2-CE2 3.49Å; I23-Y58 CarbonylContact O-C 3.27Å; I23-Y58 VanDerWaalsContact O-CA 3.31Å; I23-Y58 WeakPolarHBondContact O-CA 3.25Å; W24-Y58 HydrophobicContact CD2-CD2 4.09Å; W24-Y58 AromaticContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CE2 4.39Å; W24-Y58 HydrophobicContact CE3-CG 4.45Å; W24-Y58 HydrophobicContact CH2-CD2 4.03Å; W24-Y58 HydrophobicContact CH2-CE2 4.15Å; W24-Y58 HydrophobicContact CZ2-CD2 4.46Å; W24-Y58 HydrophobicContact CZ2-CE2 4.36Å; W24-Y58 AromaticContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CE2 4.16Å; W24-Y58 HydrophobicContact CZ3-CG 4.36Å; K55-Y58 HydrophobicContact CB-CG 4.23Å; K55-Y58 HydrophobicContact CD-CD1 4.13Å; K55-Y58 HydrophobicContact CD-CG 4.17Å; K55-Y58 HydrophobicContact CG-CG 4.27Å; K55-Y58 WeakPolarHBondContact O-CB 3.17Å; K55-Y58 PolarHBondContact O-N 3.35Å; Y58-P60 HydrophobicContact CE1-CG 4.19Å | ||
| 59 | V | 95.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 76.8 Ų | 76.8 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | trans | -121.9 | 128.7 | 171.9 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | I23 L27 Q63 A64 V67 | I23-V59 WeakPolarHBondContact CG2-O 3.47Å; I23-V59 PolarHBondContact O-N 2.96Å; L27-V59 HydrophobicContact CD1-CG2 4.49Å; L27-V59 HydrophobicContact CD2-CG2 4.14Å; L27-V59 HydrophobicContact CG-CG2 3.79Å; V59-Q63 HydrophobicContact CG1-CB 3.68Å; V59-A64 HydrophobicContact CB-CB 4.45Å; V59-A64 HydrophobicContact CG1-CB 4.16Å; V59-V67 HydrophobicContact CG1-CG2 4.22Å | ||
| 60 | P | 94.3 | Very high | 90 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 31% | 0.312 | 38% | 0.377 | S | S | . | . | trans | -52.9 | 141 | 175.2 | -26.9 | 34.9 | 0 | 0 | 0 | 111.7 | Y58 E62 Q63 A64 | Y58-P60 HydrophobicContact CE1-CG 4.19Å; P60-E62 PolarHBondContact O-N 3.45Å; P60-Q63 WeakPolarHBondContact O-CA 3.4Å; P60-Q63 PolarHBondContact O-N 2.65Å; P60-A64 PolarHBondContact O-N 2.86Å | ||
| 61 | P | 90.3 | Very high | 88.9 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.3 | -30.7 | -176 | -27.4 | 33.3 | 0 | 0 | 0 | 114.7 | I23 Q63 | I23-P61 HydrophobicContact CD1-CB 4.07Å; I23-P61 HydrophobicContact CD1-CG 3.97Å; I23-P61 HydrophobicContact CG1-CB 4.41Å; I23-P61 HydrophobicContact CG1-CG 4.35Å; P61-Q63 VanDerWaalsContact C-N 3.33Å |
| 62 | E | 90 | Very high | 87.7 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 67% | 0.673 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67 | -35.8 | 176.6 | -165.4 | 56.8 | -154.8 | 0 | 0 | 112.2 | P60 | P60-E62 PolarHBondContact O-N 3.45Å |
| 63 | Q | 87.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 81.4 Ų | 81.4 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -88.1 | -29.3 | 179.5 | -61.9 | 179 | 18.3 | 0 | 0 | 112.3 | V59 P60 P61 K65 V66 V67 | V59-Q63 HydrophobicContact CG1-CB 3.68Å; P60-Q63 WeakPolarHBondContact O-CA 3.4Å; P60-Q63 PolarHBondContact O-N 2.65Å; P61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-K65 PolarHBondContact O-N 3.18Å; Q63-V66 WeakPolarHBondContact O-CB 3.26Å; Q63-V66 PolarHBondContact O-N 2.92Å; Q63-V67 PolarHBondContact O-N 3.02Å |
| 64 | A | 88.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 3% | 0.025 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.6 | -35.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q22 I23 V59 P60 V66 V67 A68 | Q22-A64 HydrophobicContact CB-CB 4.14Å; I23-A64 HydrophobicContact CG1-CB 3.81Å; V59-A64 HydrophobicContact CB-CB 4.45Å; V59-A64 HydrophobicContact CG1-CB 4.16Å; P60-A64 PolarHBondContact O-N 2.86Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.86Å; A64-V67 PolarHBondContact O-N 3.38Å; A64-A68 VanDerWaalsContact O-CB 3.25Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.8Å |
| 65 | K | 83.6 | Confident | 82.8 | Confident | 144 Ų | 144 | 77.8 Ų | 77.8 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 175.2 | -63.3 | 174.5 | -172.6 | 165.9 | 0 | 112.2 | Q63 S69 | Q63-K65 PolarHBondContact O-N 3.18Å; K65-S69 PolarHBondContact O-N 3.23Å; K65-S69 VanDerWaalsContact O-N 3.17Å |
| 66 | V | 85 | Confident | 80.7 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.6 | -48.1 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | Q63 A64 A68 S69 V70 | Q63-V66 WeakPolarHBondContact O-CB 3.26Å; Q63-V66 PolarHBondContact O-N 2.92Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.86Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.39Å; V66-S69 PolarHBondContact O-N 2.78Å; V66-S69 VanDerWaalsContact O-N 3.1Å; V66-S69 PolarHBondContact O-OG 3.49Å; V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 2.87Å |
| 67 | V | 81.3 | Confident | 78.2 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 29% | 0.285 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | G26 V59 Q63 A64 S69 V70 H71 | G26-V67 WeakPolarHBondContact O-CG1 3.4Å; V59-V67 HydrophobicContact CG1-CG2 4.22Å; Q63-V67 PolarHBondContact O-N 3.02Å; A64-V67 PolarHBondContact O-N 3.38Å; V67-S69 PolarHBondContact O-N 3.12Å; V67-V70 PolarHBondContact O-N 3.13Å; V67-H71 WeakPolarHBondContact O-CB 3.47Å; V67-H71 PolarHBondContact O-N 2.93Å |
| 68 | A | 80.3 | Confident | 76 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 20% | 0.198 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q22 A64 V66 V70 H71 A72 | Q22-A68 HydrophobicContact CB-CB 4.33Å; Q22-A68 VanDerWaalsContact CD-CB 3.43Å; Q22-A68 HydrophobicContact CG-CB 3.7Å; A64-A68 VanDerWaalsContact O-CB 3.25Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.8Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.39Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.15Å; A68-H71 PolarHBondContact O-N 3.23Å; A68-A72 WeakPolarHBondContact O-CB 3.42Å; A68-A72 PolarHBondContact O-N 3.19Å |
| 69 | S | 77.6 | Confident | 73.6 | Confident | 69 Ų | 69 | 79.2 Ų | 79.2 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.2 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | K65 V66 V67 A72 S73 | K65-S69 PolarHBondContact O-N 3.23Å; K65-S69 VanDerWaalsContact O-N 3.17Å; V66-S69 PolarHBondContact O-N 2.78Å; V66-S69 VanDerWaalsContact O-N 3.1Å; V66-S69 PolarHBondContact O-OG 3.49Å; V67-S69 PolarHBondContact O-N 3.12Å; S69-A72 PolarHBondContact O-N 3.25Å; S69-S73 PolarHBondContact O-N 3.43Å; S69-S73 PolarHBondContact O-OG 3.37Å |
| 70 | V | 78.3 | Confident | 70.9 | Confident | 71 Ų | 71 | 84.1 Ų | 84.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110 | V66 V67 A68 A72 S73 I74 | V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 2.87Å; V67-V70 PolarHBondContact O-N 3.13Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.15Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 2.95Å; V70-S73 WeakPolarHBondContact CA-OG 3.4Å; V70-S73 PolarHBondContact O-N 3.2Å; V70-S73 VanDerWaalsContact O-N 3.13Å; V70-S73 PolarHBondContact O-OG 2.98Å; V70-I74 HydrophobicContact CG1-CD1 3.54Å; V70-I74 HydrophobicContact CG1-CG1 4.35Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.39Å |
| 71 | H | 69.9 | Low | 68.5 | Low | 108 Ų | 108 | 87.5 Ų | 87.5 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62 | -38.7 | 177.5 | -163.8 | -78.3 | 0 | 0 | 0 | 112.3 | V67 A68 I74 S75 | V67-H71 WeakPolarHBondContact O-CB 3.47Å; V67-H71 PolarHBondContact O-N 2.93Å; A68-H71 PolarHBondContact O-N 3.23Å; H71-I74 PolarHBondContact O-N 3.15Å; H71-S75 PolarHBondContact CE1-OG 3.45Å; H71-S75 WeakPolarHBondContact O-CB 3.33Å; H71-S75 PolarHBondContact O-N 2.81Å; H71-S75 PolarHBondContact O-OG 2.92Å |
| 72 | A | 69.9 | Low | 66.4 | Low | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A68 S69 V70 | A68-A72 WeakPolarHBondContact O-CB 3.42Å; A68-A72 PolarHBondContact O-N 3.19Å; S69-A72 PolarHBondContact O-N 3.25Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 2.95Å |
| 73 | S | 65.9 | Low | 64.3 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -30.7 | 176.9 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | S69 V70 | S69-S73 PolarHBondContact O-N 3.43Å; S69-S73 PolarHBondContact O-OG 3.37Å; V70-S73 WeakPolarHBondContact CA-OG 3.4Å; V70-S73 PolarHBondContact O-N 3.2Å; V70-S73 VanDerWaalsContact O-N 3.13Å; V70-S73 PolarHBondContact O-OG 2.98Å |
| 74 | I | 62.7 | Low | 62.1 | Low | 130 Ų | 130 | 89 Ų | 89 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80.4 | -34.5 | 177.4 | -64.4 | 164.7 | 0 | 0 | 0 | 111.3 | V70 H71 G76 | V70-I74 HydrophobicContact CG1-CD1 3.54Å; V70-I74 HydrophobicContact CG1-CG1 4.35Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.39Å; H71-I74 PolarHBondContact O-N 3.15Å; I74-G76 PolarHBondContact O-N 2.95Å |
| 75 | S | 58.7 | Low | 59.9 | Low | 67 Ų | 67 | 95.6 Ų | 95.6 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | 0.7 | 180 | -75.3 | 0 | 0 | 0 | 0 | 114.9 | H71 S77 | H71-S75 PolarHBondContact CE1-OG 3.45Å; H71-S75 WeakPolarHBondContact O-CB 3.33Å; H71-S75 PolarHBondContact O-N 2.81Å; H71-S75 PolarHBondContact O-OG 2.92Å; S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 VanDerWaalsContact O-N 3.08Å |
| 76 | G | 51.3 | Low | 58 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65 | 13.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I74 S78 | I74-G76 PolarHBondContact O-N 2.95Å; G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.14Å |
| 77 | S | 41.3 | Very low | 56.4 | Low | 101 Ų | 101 | 99 Ų | 99 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | -87.5 | 82.3 | -179.6 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | S75 A79 | S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 VanDerWaalsContact O-N 3.08Å; S77-A79 PolarHBondContact O-N 3.15Å | ||
| 78 | S | 47.9 | Very low | 54.7 | Low | 127 Ų | 127 | 102.5 Ų | 102.5 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -78 | 97.5 | 155.3 | -67.1 | 0 | 0 | 0 | 0 | 108.6 | G76 | G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.14Å | ||
| 79 | A | 46 | Very low | 53.3 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | -144.3 | 109.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S77 | S77-A79 PolarHBondContact O-N 3.15Š| ||
| 80 | S | 38.6 | Very low | 52.3 | Low | 107 Ų | 107 | 111.6 Ų | 111.6 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | 27 | 110 | 159.7 | -70.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 81 | S | 43.3 | Very low | 50.8 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | 40.4 | 81.1 | 67.1 | -58.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 82 | T | 46.2 | Very low | 50.1 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | -142.5 | 67.4 | 147.5 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 83 | S | 45.6 | Very low | 49.2 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -150.4 | 133.4 | 150.8 | 70.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 84 | S | 41.4 | Very low | 48.3 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 95.7 | 103.5 | 167 | -48.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 85 | T | 44 | Very low | 47.6 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | -48.4 | 141.7 | 164.8 | 44.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 86 | P | 43.2 | Very low | 46.7 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -125.3 | 124.3 | 127.9 | 33.9 | -25.1 | 0 | 0 | 0 | 111 | V88 | P86-V88 PolarHBondContact O-N 3.24Š| |||
| 87 | E | 51.1 | Low | 46.7 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -57.9 | 109.9 | 165.7 | 175.4 | -165.9 | 122.6 | 0 | 0 | 110.5 | ||||
| 88 | V | 44.7 | Very low | 46.6 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -150.5 | 103.2 | 154.8 | -160.4 | 0 | 0 | 0 | 0 | 111.6 | P86 | P86-V88 PolarHBondContact O-N 3.24Š| ||
| 89 | K | 52.6 | Low | 46.2 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 46.7 | 121.9 | 148.8 | -66.4 | 171.2 | 176.3 | 173.4 | 0 | 120.3 | ||||
| 90 | P | 54.7 | Low | 46.2 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 138.5 | 169.8 | 28.7 | -33.4 | 0 | 0 | 0 | 111.9 | K92 | P90-K92 HydrophobicContact CB-CG 4.25Å; P90-K92 HydrophobicContact CG-CG 4.35Å; P90-K92 PolarHBondContact O-N 2.92Å | ||
| 91 | L | 48.6 | Very low | 46.4 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 98% | 0.979 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -66.7 | 67.8 | 178.4 | -67.2 | 166.1 | 0 | 0 | 0 | 112.6 | ||
| 92 | K | 54.9 | Low | 46.2 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -144.6 | 57.1 | 171.4 | 44.3 | 175.4 | 174.5 | 176.2 | 0 | 109.9 | P90 | P90-K92 HydrophobicContact CB-CG 4.25Å; P90-K92 HydrophobicContact CG-CG 4.35Å; P90-K92 PolarHBondContact O-N 2.92Å | ||
| 93 | S | 51.2 | Low | 46 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -171.2 | 84.3 | 159.8 | -167 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 94 | L | 45.5 | Very low | 45.6 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -159.4 | 56 | 152.8 | -104.5 | 148.3 | 0 | 0 | 0 | 106.8 | G96 | L94-G96 PolarHBondContact O-N 3.25Š| ||
| 95 | L | 49.2 | Very low | 45.3 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 106.9 | 150.3 | 178.8 | 66.9 | 0 | 0 | 0 | 105.6 | ||||
| 96 | G | 40.2 | Very low | 45.4 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -133.7 | 111.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | L94 | L94-G96 PolarHBondContact O-N 3.25Š| ||
| 97 | E | 50.2 | Low | 45.1 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -67.1 | 126.9 | -172.8 | -70.8 | 138.8 | 134.1 | 0 | 0 | 113.6 | ||||
| 98 | S | 40.6 | Very low | 44.6 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -166.5 | 125.3 | 136.5 | -150.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 99 | A | 38.3 | Very low | 44.6 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -89.7 | -178.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 100 | P | 45.7 | Very low | 43.8 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | -134.3 | 159.1 | 55.1 | 31.2 | -9.9 | 0 | 0 | 0 | 116.3 | |||||
| 101 | A | 43.3 | Very low | 43.1 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -70.9 | 143.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 102 | L | 38.7 | Very low | 42.8 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -125.1 | 97.8 | 154.3 | -81.9 | 167.4 | 0 | 0 | 0 | 108.6 | ||||
| 103 | H | 41.7 | Very low | 42.6 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -62.6 | 139.3 | 157.4 | -89.7 | -179.9 | 0 | 0 | 0 | 109.1 | ||||
| 104 | L | 36.9 | Very low | 41.9 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | -176.3 | 133.8 | 109.7 | -149.4 | 52.8 | 0 | 0 | 0 | 114.3 | |||||
| 105 | N | 36.5 | Very low | 41.7 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 69.3 | 120 | 145.6 | -78.1 | 11.7 | 0 | 0 | 0 | 125.3 | ||||
| 106 | K | 45.3 | Very low | 41.3 | Very low | 215 Ų | 215 | 129 Ų | 129 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -43 | 135.5 | 142.8 | -81.1 | 175.5 | 168.2 | -175.8 | 0 | 112.7 | ||||
| 107 | G | 37.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 174.7 | 98.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 108 | T | 40.7 | Very low | 40.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -62.6 | 164.2 | 159.7 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 109 | P | 44.3 | Very low | 40.2 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -145 | 178.8 | 29 | 39.6 | -17.8 | 0 | 0 | 0 | 117.1 | ||||
| 110 | S | 35.6 | Very low | 40 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | 90.7 | 127.3 | 135.9 | -137.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 111 | Q | 40.8 | Very low | 39.4 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 91.5 | 82.2 | 150.9 | -51.4 | -143.4 | -13.7 | 0 | 0 | 118.8 | ||||
| 112 | S | 42.5 | Very low | 39.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 142.1 | 138.8 | 37.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 113 | P | 49.1 | Very low | 39 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 95.3 | 153.9 | 27.4 | -13.5 | 0 | 0 | 0 | 109 | ||||
| 114 | V | 37.2 | Very low | 38.7 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -78.5 | 117.3 | 149.2 | 129.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 115 | V | 42 | Very low | 39.4 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 99.5 | 168.6 | 175.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 116 | G | 40.3 | Very low | 39.9 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -97.8 | 133.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 117 | R | 35.5 | Very low | 40.1 | Very low | 250 Ų | 250 | 146.7 Ų | 146.7 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -121.1 | 121.3 | 163.9 | -169.3 | 176.1 | 177.4 | -175 | -1.4 | 107.7 | ||||
| 118 | S | 37 | Very low | 40.7 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 142.1 | 178.8 | 47 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 119 | Q | 36 | Very low | 41.7 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | 170 | 123.1 | 150.2 | -99.9 | 177.6 | 11.5 | 0 | 0 | 104.9 | ||||
| 120 | G | 34.3 | Very low | 42.6 | Very low | 67 Ų | 67 | 149.2 Ų | 149.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | 137.1 | 119 | 9.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 121 | Q | 33.3 | Very low | 43.7 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 168 | 119.4 | 140.9 | -93.7 | 169.2 | -7.4 | 0 | 0 | 112.6 | ||||
| 122 | Q | 37.2 | Very low | 44.5 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 47.8 | 119.5 | 138.5 | -65 | 173.3 | 1.6 | 0 | 0 | 120.4 | ||||
| 123 | Q | 35.3 | Very low | 45.1 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | 137.9 | 126.9 | 115 | -111.7 | 163.3 | -45.6 | 0 | 0 | 113.8 | |||||
| 124 | E | 36.2 | Very low | 45.5 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | 75.3 | 128 | 151.8 | -78.8 | -106.2 | 85.5 | 0 | 0 | 120.4 | K126 | E124-K126 PolarHBondContact O-N 3.17Š| ||
| 125 | K | 49.9 | Very low | 46.6 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -58.2 | 118.6 | 172.2 | -69.4 | 172.6 | 173.2 | 170.7 | 0 | 109.7 | ||||
| 126 | K | 47.9 | Very low | 47.2 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -143 | 104.4 | 144.6 | -117.3 | 173 | 180 | 175.2 | 0 | 108 | E124 F128 | E124-K126 PolarHBondContact O-N 3.17Å; K126-F128 PolarHBondContact O-N 2.9Å; K126-F128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | Q | 50.1 | Low | 47.9 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -43.2 | 119.4 | 154.1 | -65.9 | -90 | -29.9 | 0 | 0 | 105.9 | D129 | Q127-D129 PolarHBondContact O-N 3.13Š| ||
| 128 | F | 50.5 | Low | 49.1 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 80.3 | 173 | -158 | -91 | 0 | 0 | 0 | 106.4 | K126 L130 | K126-F128 PolarHBondContact O-N 2.9Å; K126-F128 VanDerWaalsContact O-N 3.14Å; F128-L130 HydrophobicContact CD1-CD2 4.04Å; F128-L130 HydrophobicContact CD1-CG 4.06Å; F128-L130 HydrophobicContact CE1-CD2 3.76Å; F128-L130 HydrophobicContact CE1-CG 4.31Å; F128-L130 PolarHBondContact O-N 3.14Å; F128-L130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | D | 59.8 | Low | 50 | Low | 77 Ų | 77 | 145.5 Ų | 145.5 | 41% | 0.412 | 75% | 0.748 | S | S | . | * | trans | -78.5 | 93.1 | -178.1 | -177.2 | 26.5 | 0 | 0 | 0 | 108.6 | Q127 L131 S132 | Q127-D129 PolarHBondContact O-N 3.13Å; D129-L131 PolarHBondContact O-N 3.12Å; D129-L131 VanDerWaalsContact OD1-CB 3.27Å; D129-L131 WeakPolarHBondContact OD1-CB 3.45Å; D129-L131 PolarHBondContact OD1-N 2.81Å; D129-S132 WeakPolarHBondContact O-CB 3.27Å; D129-S132 PolarHBondContact O-N 2.97Å; D129-S132 PolarHBondContact OD2-OG 3.26Å | ||
| 130 | L | 64.1 | Low | 51 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -60.7 | -10.1 | 174.5 | -73.5 | 163.6 | 0 | 0 | 0 | 112.7 | F128 | F128-L130 HydrophobicContact CD1-CD2 4.04Å; F128-L130 HydrophobicContact CD1-CG 4.06Å; F128-L130 HydrophobicContact CE1-CD2 3.76Å; F128-L130 HydrophobicContact CE1-CG 4.31Å; F128-L130 PolarHBondContact O-N 3.14Å; F128-L130 VanDerWaalsContact O-N 3.12Å |
| 131 | L | 58.7 | Low | 51.9 | Low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -81.9 | -22.8 | 172.8 | -54.6 | 172.7 | 0 | 0 | 0 | 112.5 | D129 | D129-L131 PolarHBondContact O-N 3.12Å; D129-L131 VanDerWaalsContact OD1-CB 3.27Å; D129-L131 WeakPolarHBondContact OD1-CB 3.45Å; D129-L131 PolarHBondContact OD1-N 2.81Å |
| 132 | S | 58.3 | Low | 52.6 | Low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -77.9 | -25.3 | 176.1 | -71 | 0 | 0 | 0 | 0 | 112.9 | D129 | D129-S132 WeakPolarHBondContact O-CB 3.27Å; D129-S132 PolarHBondContact O-N 2.97Å; D129-S132 PolarHBondContact OD2-OG 3.26Å |
| 133 | D | 55.4 | Low | 53.1 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -80 | -26.6 | 178.4 | -168.4 | 44.9 | 0 | 0 | 0 | 112.8 | G135 | D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.07Å |
| 134 | L | 56 | Low | 53.6 | Low | 157 Ų | 157 | 131.6 Ų | 131.6 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -6.4 | 178.3 | -164.2 | 59.9 | 0 | 0 | 0 | 113.3 | ||
| 135 | G | 59.8 | Low | 54 | Low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -0.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | D133 D137 | D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.07Å; G135-D137 PolarHBondContact O-N 2.8Å |
| 136 | S | 55.9 | Low | 53.7 | Low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -79 | 105.7 | 172.5 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | I138 | S136-I138 PolarHBondContact O-N 3.16Š|
| 137 | D | 55.4 | Low | 53.2 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | trans | -29.5 | 108.4 | 172.3 | -174 | 9.1 | 0 | 0 | 0 | 114.5 | G135 F139 A140 | G135-D137 PolarHBondContact O-N 2.8Å; D137-F139 PolarHBondContact O-N 3.49Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 WeakPolarHBondContact OD1-CB 3.47Å; D137-F139 PolarHBondContact OD1-N 3.31Å; D137-A140 HydrophobicContact CB-CB 4.09Å; D137-A140 WeakPolarHBondContact O-CB 3.35Å; D137-A140 PolarHBondContact O-N 3.38Å | ||
| 138 | I | 59.8 | Low | 52.7 | Low | 166 Ų | 166 | 121.3 Ų | 121.3 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -13.2 | 174.9 | -67.2 | 173.8 | 0 | 0 | 0 | 111.6 | S136 | S136-I138 PolarHBondContact O-N 3.16Š|
| 139 | F | 56 | Low | 52.6 | Low | 195 Ų | 195 | 119.3 Ų | 119.3 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -3.3 | 173.5 | -75.5 | -89.4 | 0 | 0 | 0 | 113.6 | D137 A141 | D137-F139 PolarHBondContact O-N 3.49Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 WeakPolarHBondContact OD1-CB 3.47Å; D137-F139 PolarHBondContact OD1-N 3.31Å; F139-A141 PolarHBondContact O-N 3.21Å |
| 140 | A | 57.6 | Low | 52 | Low | 62 Ų | 62 | 119.5 Ų | 119.5 | 51% | 0.512 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -77.1 | 105.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | D137 | D137-A140 HydrophobicContact CB-CB 4.09Å; D137-A140 WeakPolarHBondContact O-CB 3.35Å; D137-A140 PolarHBondContact O-N 3.38Å |
| 141 | A | 52 | Low | 51.6 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | F139 A143 | F139-A141 PolarHBondContact O-N 3.21Å; A141-A143 PolarHBondContact O-N 3.17Å |
| 142 | P | 48.2 | Very low | 51.1 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 129.6 | 171.4 | 26.4 | -30.5 | 0 | 0 | 0 | 110.8 | ||
| 143 | A | 47.8 | Very low | 51 | Low | 88 Ų | 88 | 124.8 Ų | 124.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 150.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A141 Q145 | A141-A143 PolarHBondContact O-N 3.17Å; A143-Q145 PolarHBondContact O-N 2.9Å |
| 144 | P | 46.9 | Very low | 51.2 | Low | 125 Ų | 125 | 124.7 Ų | 124.7 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 116.7 | -176.6 | 31.9 | -30.8 | 0 | 0 | 0 | 110.1 | ||
| 145 | Q | 43.6 | Very low | 51.1 | Low | 198 Ų | 198 | 126.7 Ų | 126.7 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -122.5 | 113.7 | 160.3 | -80.4 | -166.3 | -57.7 | 0 | 0 | 110.3 | A143 | A143-Q145 PolarHBondContact O-N 2.9Š| ||
| 146 | S | 42.9 | Very low | 51.1 | Low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -77.9 | 158.1 | 174.6 | -57 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 147 | T | 38.1 | Very low | 50.9 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | 93.4 | 103.3 | 157.9 | 69.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 148 | A | 39.3 | Very low | 50.8 | Low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 177.7 | 108.9 | 102.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 149 | T | 49.9 | Very low | 50 | Low | 145 Ų | 145 | 133.5 Ų | 133.5 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | 24.9 | 106.6 | 141.1 | 41.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 150 | A | 47.2 | Very low | 49.8 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -159.1 | 110.8 | 139.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F152 | A150-F152 PolarHBondContact O-N 3.41Š| ||
| 151 | N | 55.6 | Low | 49.4 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 34.9 | 78.5 | 146.1 | -72.2 | -7.9 | 0 | 0 | 0 | 120.5 | ||||
| 152 | F | 48.2 | Very low | 49.1 | Very low | 204 Ų | 204 | 134 Ų | 134 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -123.7 | 63.6 | 150.2 | -65.3 | -82.7 | 0 | 0 | 0 | 109.7 | A150 N154 | A150-F152 PolarHBondContact O-N 3.41Å; F152-N154 PolarHBondContact O-N 3.31Å | ||
| 153 | A | 55.6 | Low | 48.7 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -72.3 | 116.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 154 | N | 58.4 | Low | 48.5 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | 150.3 | 72.7 | 128.6 | -162.3 | 4.7 | 0 | 0 | 0 | 113.6 | F152 | F152-N154 PolarHBondContact O-N 3.31Š| |||
| 155 | F | 54.9 | Low | 48 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -124.1 | 3.7 | 159.8 | -70.4 | -72.6 | 0 | 0 | 0 | 113 | H157 | F155-H157 PolarHBondContact O-N 3.2Š|
| 156 | A | 58.9 | Low | 48.2 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -100.1 | 44.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 157 | H | 53 | Low | 48.2 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | trans | -127 | 55.6 | 167.9 | -147.4 | 78 | 0 | 0 | 0 | 112.2 | F155 N159 | F155-H157 PolarHBondContact O-N 3.2Å; H157-N159 PolarHBondContact O-N 3.01Å | ||
| 158 | F | 52.5 | Low | 48.6 | Very low | 204 Ų | 204 | 134 Ų | 134 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -92.5 | 70 | 150.9 | -78.6 | -84.5 | 0 | 0 | 0 | 107.5 | S160 | F158-S160 PolarHBondContact O-N 3.19Š| ||
| 159 | N | 43.9 | Very low | 48.9 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -72.6 | 121.1 | 166.7 | -163.8 | 11.8 | 0 | 0 | 0 | 108 | H157 | H157-N159 PolarHBondContact O-N 3.01Š| ||
| 160 | S | 52.1 | Low | 49 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | -7.8 | 122.5 | 156.9 | 63.9 | 0 | 0 | 0 | 0 | 117 | F158 | F158-S160 PolarHBondContact O-N 3.19Š| ||
| 161 | H | 48.7 | Very low | 49 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -134.4 | 94.5 | 134 | -132.7 | 66.1 | 0 | 0 | 0 | 109.3 | ||||
| 162 | A | 45 | Very low | 48.9 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -73.3 | 149.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 163 | A | 39.7 | Very low | 48.7 | Very low | 70 Ų | 70 | 132 Ų | 132 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | trans | 93.9 | 107.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 164 | Q | 43.6 | Very low | 48.6 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | 56.7 | 108.9 | 125.4 | -67.2 | 169.3 | -100.8 | 0 | 0 | 118.5 | |||||
| 165 | N | 36.2 | Very low | 48.6 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | -163.6 | 146.4 | 116.5 | -137 | -33.9 | 0 | 0 | 0 | 113.2 | |||||
| 166 | S | 49.1 | Very low | 48.4 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -44.2 | 132 | 172.6 | -69.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 167 | A | 42.3 | Very low | 48 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -161 | 119.7 | 132.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | A169 | A167-A169 PolarHBondContact O-N 2.96Š| ||
| 168 | N | 46.4 | Very low | 47.9 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -45.2 | 110.9 | 168.2 | -117.1 | -28.1 | 0 | 0 | 0 | 109 | D170 | N168-D170 VanDerWaalsContact C-N 3.3Å; N168-D170 PolarHBondContact O-N 3.45Å | ||
| 169 | A | 46.6 | Very low | 47.4 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -72.3 | 95.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | A167 F171 | A167-A169 PolarHBondContact O-N 2.96Å; A169-F171 PolarHBondContact O-N 3.03Å | ||
| 170 | D | 51 | Low | 47.2 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -60.4 | 94.7 | 178.7 | -149.8 | -14.1 | 0 | 0 | 0 | 109.3 | N168 A172 | N168-D170 VanDerWaalsContact C-N 3.3Å; N168-D170 PolarHBondContact O-N 3.45Å; D170-A172 PolarHBondContact O-N 3.49Å | ||
| 171 | F | 47.6 | Very low | 47 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -83.8 | 103.9 | -178.6 | -171.2 | -91.8 | 0 | 0 | 0 | 108.3 | A169 | A169-F171 PolarHBondContact O-N 3.03Š| ||
| 172 | A | 54.3 | Low | 46.5 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 51% | 0.512 | 78% | 0.776 | S | S | . | * | trans | 50.3 | 85.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D170 F174 | D170-A172 PolarHBondContact O-N 3.49Å; A172-F174 HydrophobicContact CB-CD2 4.32Å; A172-F174 HydrophobicContact CB-CE2 4.31Å; A172-F174 PolarHBondContact O-N 3.35Å; A172-F174 VanDerWaalsContact O-N 3.16Å | ||
| 173 | N | 42.4 | Very low | 46.5 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 104 | 160.4 | -170 | -16.3 | 0 | 0 | 0 | 109.5 | D175 | N173-D175 PolarHBondContact O-N 3.37Š| ||
| 174 | F | 54.5 | Low | 46.9 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -84.2 | 91.7 | 169.7 | -91.6 | -93.1 | 0 | 0 | 0 | 109.4 | A172 | A172-F174 HydrophobicContact CB-CD2 4.32Å; A172-F174 HydrophobicContact CB-CE2 4.31Å; A172-F174 PolarHBondContact O-N 3.35Å; A172-F174 VanDerWaalsContact O-N 3.16Å | ||
| 175 | D | 58.9 | Low | 47.4 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -133.1 | 64.8 | 172.9 | -158 | 2.5 | 0 | 0 | 0 | 111.7 | N173 | N173-D175 PolarHBondContact O-N 3.37Š| ||
| 176 | A | 49.9 | Very low | 47.6 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -151.8 | 31.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 177 | F | 50.5 | Low | 47.5 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -121.2 | 102.2 | 164.1 | -147.8 | -91.8 | 0 | 0 | 0 | 110.9 | ||
| 178 | G | 51.7 | Low | 47.3 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | trans | 93.3 | 102.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 179 | Q | 40.3 | Very low | 47.4 | Very low | 205 Ų | 205 | 131 Ų | 131 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | 150.5 | 132.5 | 145.9 | -84.1 | 159.4 | 76.6 | 0 | 0 | 107.1 | ||||
| 180 | S | 40.1 | Very low | 47.9 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -171.7 | 142.6 | 2.2 | 170 | 0 | 0 | 0 | 0 | 105 | ||||
| 181 | S | 47.1 | Very low | 47.7 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 54.8 | 112 | 148.4 | -48.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 182 | G | 39.7 | Very low | 47.5 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 177.9 | 83.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 183 | S | 45.3 | Very low | 47.2 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 45 | 131.1 | 139.6 | -173 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 184 | S | 47.5 | Very low | 47.5 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 84.5 | 111.9 | 141.1 | 47.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 185 | N | 53.4 | Low | 47.2 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 70.9 | 85.2 | 139.2 | -72.5 | 29.8 | 0 | 0 | 0 | 118.6 | ||||
| 186 | F | 40.6 | Very low | 46.6 | Very low | 211 Ų | 211 | 126.7 Ų | 126.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -128.8 | 128.2 | 148.7 | -155.5 | -103.4 | 0 | 0 | 0 | 110.1 | G188 | F186-G188 PolarHBondContact O-N 3.39Š| ||
| 187 | G | 47.4 | Very low | 46.5 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 121 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 188 | G | 38.8 | Very low | 46.7 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 125.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | F186 | F186-G188 PolarHBondContact O-N 3.39Š|
| 189 | F | 47.3 | Very low | 46.8 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 147.7 | 170.6 | -62.7 | -96.1 | 0 | 0 | 0 | 111.8 | T191 | F189-T191 PolarHBondContact O-N 3.47Š|
| 190 | P | 56.9 | Low | 46.8 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.9 | 169.1 | 27.7 | -31 | 0 | 0 | 0 | 109.9 | ||
| 191 | T | 46.5 | Very low | 47.2 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137 | 168.8 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | F189 | F189-T191 PolarHBondContact O-N 3.47Š|
| 192 | A | 43.9 | Very low | 47.2 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H194 | A192-H194 PolarHBondContact O-N 3.37Š|
| 193 | S | 47.7 | Very low | 47.6 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -63.4 | 112 | 175.3 | 35.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 194 | H | 49.7 | Very low | 47.7 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -82.9 | 119.8 | 165.7 | -111.2 | -99.3 | 0 | 0 | 0 | 109.5 | A192 | A192-H194 PolarHBondContact O-N 3.37Š| ||
| 195 | S | 48.9 | Very low | 47.8 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | trans | -72 | 125.4 | 171.8 | 33.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 196 | S | 46.1 | Very low | 47.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -82.3 | 111.9 | 171.9 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 197 | F | 46.7 | Very low | 47.9 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 91% | 0.912 | 83% | 0.833 | S | S | * | * | trans | -80.5 | 120.2 | 163.5 | -118.6 | -96.1 | 0 | 0 | 0 | 107.8 | ||||
| 198 | Q | 54 | Low | 47.9 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 85% | 0.845 | S | S | * | * | trans | -111.5 | 127.7 | 172.5 | -171.6 | 176.5 | -23.4 | 0 | 0 | 108.6 | ||||
| 199 | P | 54.6 | Low | 48.7 | Very low | 117 Ų | 117 | 152.7 Ų | 152.7 | 76% | 0.76 | 85% | 0.85 | S | S | * | * | trans | -91.8 | 146.9 | 165.1 | 33.6 | -26.4 | 0 | 0 | 0 | 110.7 | ||||
| 200 | Q | 41.5 | Very low | 48.8 | Very low | 259 Ų | 259 | 149.1 Ų | 149.1 | 100% | 1.21 | 85% | 0.851 | S | S | * | * | trans | 86.4 | 0 | 172.1 | -121.7 | 179.6 | 20.1 | 0 | 0 | 117.8 |
Retrieved 200 of 200 residues in 232.6 ms
(Link to these results)