| 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 | 83.2 | Confident | 94.6 | Very high | 242 Ų | 242 | 98.7 Ų | 98.7 | 100% | 1.192 | 52% | 0.518 | S | S | * | . | 0 | 148.6 | 0 | -76.5 | 172.6 | 134.6 | 0 | 0 | 108.6 | |||||
| 2 | A | 92.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 93.8 Ų | 93.8 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | trans | -75.7 | 146.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y4 | A2-Y4 HydrophobicContact CB-CD2 4.43Å; A2-Y4 HydrophobicContact CB-CE2 3.75Å | ||
| 3 | H | 94.7 | Very high | 94.8 | Very high | 62 Ų | 62 | 89.8 Ų | 89.8 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | trans | -111.3 | 114.1 | 176.1 | -173.8 | 80.8 | 0 | 0 | 0 | 109.9 | G5 S20 F21 F24 | H3-G5 PolarHBondContact CD2-N 2.77Å; H3-S20 PolarHBondContact CE1-OG 3.43Å; H3-S20 VanDerWaalsContact CE1-OG 3.31Å; H3-S20 PolarHBondContact NE2-O 3.24Å; H3-S20 PolarHBondContact NE2-OG 2.95Å; H3-F21 HydrophobicContact CB-CD2 4.2Å; H3-F21 AromaticContact CD2-CD2 3.8Å; H3-F21 PolarHBondContact NE2-N 3.06Å; H3-F24 HydrophobicContact CB-CD1 4.36Å | ||
| 4 | Y | 96.5 | Very high | 94.9 | Very high | 145 Ų | 145 | 89.3 Ų | 89.3 | 57% | 0.569 | 47% | 0.468 | S | S | * | . | trans | -98.1 | 12 | -174.7 | -66.3 | -79.8 | 0 | 0 | 0 | 113.9 | A2 R8 D9 G10 | A2-Y4 HydrophobicContact CB-CD2 4.43Å; A2-Y4 HydrophobicContact CB-CE2 3.75Å; Y4-R8 WeakPolarHBondContact O-CA 3.24Å; Y4-R8 PolarHBondContact O-N 3.31Å; Y4-D9 PolarHBondContact O-N 2.72Å; Y4-G10 WeakPolarHBondContact O-CA 3.21Å; Y4-G10 PolarHBondContact O-N 3.04Å | ||
| 5 | G | 95.9 | Very high | 95 | Very high | 11 Ų | 11 | 94.7 Ų | 94.7 | 11% | 0.113 | 48% | 0.48 | C | S | . | . | trans | 78.2 | -175.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H3 R8 N17 | H3-G5 PolarHBondContact CD2-N 2.77Å; G5-R8 PolarHBondContact O-N 3.29Å; G5-N17 WeakPolarHBondContact CA-OD1 3.14Å | ||
| 6 | A | 96.6 | Very high | 95.1 | Very high | 59 Ų | 59 | 91.4 Ų | 91.4 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -69.8 | -36.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R8 N17 | A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 3.4Å; A6-N17 PolarHBondContact N-OD1 3.18Å |
| 7 | E | 96.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 86.4 Ų | 86.4 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -81.2 | -9.2 | 178.4 | -51.3 | -55.3 | 145.7 | 0 | 0 | 112.6 | D9 K14 S16 N17 | E7-D9 PolarHBondContact O-N 3.12Å; E7-K14 HydrophobicContact CG-CD 4.14Å; E7-S16 WeakPolarHBondContact CG-OG 3.24Å; E7-S16 PolarHBondContact OE1-OG 3.15Å; E7-N17 PolarHBondContact N-OD1 2.9Å |
| 8 | R | 95.9 | Very high | 95.3 | Very high | 211 Ų | 211 | 81.9 Ų | 81.9 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 62.7 | 17.9 | 177.9 | -51.8 | 177.2 | 62.4 | -179.8 | -0.7 | 115.5 | Y4 G5 A6 | Y4-R8 WeakPolarHBondContact O-CA 3.24Å; Y4-R8 PolarHBondContact O-N 3.31Å; G5-R8 PolarHBondContact O-N 3.29Å; A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 3.4Å |
| 9 | D | 96.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 79.4 Ų | 79.4 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -101.7 | -9.2 | 176.5 | 61.3 | 6.1 | 0 | 0 | 0 | 113.4 | Y4 E7 D11 K14 N17 | Y4-D9 PolarHBondContact O-N 2.72Å; E7-D9 PolarHBondContact O-N 3.12Å; D9-D11 PolarHBondContact O-N 2.92Å; D9-D11 WeakPolarHBondContact OD1-CB 3.5Å; D9-D11 PolarHBondContact OD1-N 3.11Å; D9-K14 WeakPolarHBondContact OD2-CE 3.21Å; D9-K14 IonicContact OD2-NZ 2.65Å; D9-K14 PolarHBondContact OD2-NZ 3.44Å; D9-N17 PolarHBondContact OD1-ND2 2.93Å |
| 10 | G | 95.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 77 Ų | 77 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | trans | 70.9 | 10.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y4 V12 | Y4-G10 WeakPolarHBondContact O-CA 3.21Å; Y4-G10 PolarHBondContact O-N 3.04Å; G10-V12 PolarHBondContact O-N 3.32Å; G10-V12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | D | 96.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 76.3 Ų | 76.3 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | trans | -72.2 | 105.6 | -179.3 | -174.8 | -5.3 | 0 | 0 | 0 | 110.9 | D9 T13 K14 N17 | D9-D11 PolarHBondContact O-N 2.92Å; D9-D11 WeakPolarHBondContact OD1-CB 3.5Å; D9-D11 PolarHBondContact OD1-N 3.11Å; D11-T13 VanDerWaalsContact CG-OG1 3.23Å; D11-T13 PolarHBondContact O-N 2.94Å; D11-T13 VanDerWaalsContact OD1-CB 3.29Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.22Å; D11-T13 PolarHBondContact OD1-N 2.82Å; D11-T13 PolarHBondContact OD1-OG1 2.84Å; D11-T13 PolarHBondContact OD2-OG1 2.67Å; D11-K14 HydrophobicContact CB-CD 4.11Å; D11-K14 HydrophobicContact CB-CG 4.19Å; D11-K14 PolarHBondContact O-N 3.37Å; D11-K14 WeakPolarHBondContact OD2-CE 3.38Å; D11-N17 PolarHBondContact N-ND2 3.25Å; D11-N17 WeakPolarHBondContact O-CB 3.4Å; D11-N17 PolarHBondContact O-ND2 3.22Å | ||
| 12 | V | 95.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.7 | 178.8 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | G10 K14 L18 L59 C62 C66 | G10-V12 PolarHBondContact O-N 3.32Å; G10-V12 VanDerWaalsContact O-N 3.1Å; V12-K14 PolarHBondContact O-N 3.32Å; V12-L18 HydrophobicContact CG2-CD1 4.31Å; V12-L59 HydrophobicContact CG1-CD1 3.63Å; V12-C62 HydrophobicContact CG1-CB 4.17Å; V12-C62 HydrophobicContact CG2-CB 4.35Å; V12-C66 HydrophobicContact CG2-CB 4.45Å |
| 13 | T | 95.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.4 | 178.7 | 74.9 | 0 | 0 | 0 | 0 | 113 | D11 Q58 | D11-T13 VanDerWaalsContact CG-OG1 3.23Å; D11-T13 PolarHBondContact O-N 2.94Å; D11-T13 VanDerWaalsContact OD1-CB 3.29Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 WeakPolarHBondContact OD1-CG2 3.22Å; D11-T13 PolarHBondContact OD1-N 2.82Å; D11-T13 PolarHBondContact OD1-OG1 2.84Å; D11-T13 PolarHBondContact OD2-OG1 2.67Å; T13-Q58 HydrophobicContact CG2-CG 4.19Å |
| 14 | K | 96.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90 | 123 | 175.1 | -61.7 | -178.7 | -177.1 | 178.2 | 0 | 110.6 | E7 D9 D11 V12 S16 N17 L18 | E7-K14 HydrophobicContact CG-CD 4.14Å; D9-K14 WeakPolarHBondContact OD2-CE 3.21Å; D9-K14 IonicContact OD2-NZ 2.65Å; D9-K14 PolarHBondContact OD2-NZ 3.44Å; D11-K14 HydrophobicContact CB-CD 4.11Å; D11-K14 HydrophobicContact CB-CG 4.19Å; D11-K14 PolarHBondContact O-N 3.37Å; D11-K14 WeakPolarHBondContact OD2-CE 3.38Å; V12-K14 PolarHBondContact O-N 3.32Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.31Å; K14-N17 HydrophobicContact CB-CB 4.43Å; K14-N17 PolarHBondContact O-N 3.37Å; K14-N17 VanDerWaalsContact O-N 3.17Å; K14-L18 PolarHBondContact O-N 3.02Å; K14-L18 VanDerWaalsContact O-N 3.14Å |
| 15 | W | 96.2 | Very high | 96.3 | Very high | 171 Ų | 171 | 59.7 Ų | 59.7 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.8 | -38.7 | 177.7 | 173.5 | -111 | 0 | 0 | 0 | 113 | N17 L18 A19 I69 | W15-N17 VanDerWaalsContact C-N 3.29Å; W15-N17 PolarHBondContact O-N 2.86Å; W15-L18 HydrophobicContact CE3-CD2 4.33Å; W15-L18 HydrophobicContact CZ3-CD2 4.34Å; W15-L18 PolarHBondContact O-N 3.33Å; W15-A19 HydrophobicContact CD2-CB 4.39Å; W15-A19 HydrophobicContact CZ2-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.21Å; W15-A19 PolarHBondContact O-N 3.35Å; W15-I69 HydrophobicContact CH2-CD1 4.43Å; W15-I69 HydrophobicContact CZ3-CD1 3.96Å |
| 16 | S | 97.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 179.3 | 56 | 0 | 0 | 0 | 0 | 112.3 | E7 K14 S20 | E7-S16 WeakPolarHBondContact CG-OG 3.24Å; E7-S16 PolarHBondContact OE1-OG 3.15Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.31Å; S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.12Å |
| 17 | N | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.4 | -44.9 | 174.6 | -70 | -21.7 | 0 | 0 | 0 | 112.2 | G5 A6 E7 D9 D11 K14 W15 S20 F21 | G5-N17 WeakPolarHBondContact CA-OD1 3.14Å; A6-N17 PolarHBondContact N-OD1 3.18Å; E7-N17 PolarHBondContact N-OD1 2.9Å; D9-N17 PolarHBondContact OD1-ND2 2.93Å; D11-N17 PolarHBondContact N-ND2 3.25Å; D11-N17 WeakPolarHBondContact O-CB 3.4Å; D11-N17 PolarHBondContact O-ND2 3.22Å; K14-N17 HydrophobicContact CB-CB 4.43Å; K14-N17 PolarHBondContact O-N 3.37Å; K14-N17 VanDerWaalsContact O-N 3.17Å; W15-N17 VanDerWaalsContact C-N 3.29Å; W15-N17 PolarHBondContact O-N 2.86Å; N17-S20 PolarHBondContact O-N 3.45Å; N17-F21 WeakPolarHBondContact O-CB 3.43Å; N17-F21 PolarHBondContact O-N 2.92Å |
| 18 | L | 95.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | -179.3 | -174.1 | 59.2 | 0 | 0 | 0 | 112.3 | V12 K14 W15 F21 A22 L65 C66 I69 | V12-L18 HydrophobicContact CG2-CD1 4.31Å; K14-L18 PolarHBondContact O-N 3.02Å; K14-L18 VanDerWaalsContact O-N 3.14Å; W15-L18 HydrophobicContact CE3-CD2 4.33Å; W15-L18 HydrophobicContact CZ3-CD2 4.34Å; W15-L18 PolarHBondContact O-N 3.33Å; L18-F21 PolarHBondContact O-N 3.13Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å; L18-L65 HydrophobicContact CD2-CB 4.41Å; L18-L65 HydrophobicContact CD2-CD2 3.7Å; L18-L65 HydrophobicContact CD2-CG 3.86Å; L18-C66 HydrophobicContact CD1-CB 3.62Å; L18-I69 HydrophobicContact CD2-CD1 3.84Å; L18-I69 HydrophobicContact CG-CD1 4.1Å |
| 19 | A | 96.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 28% | 0.281 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W15 A22 S23 | W15-A19 HydrophobicContact CD2-CB 4.39Å; W15-A19 HydrophobicContact CZ2-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.21Å; W15-A19 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 2.85Å; A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 2.86Å |
| 20 | S | 97.2 | Very high | 96 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 174.2 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | H3 S16 N17 S23 F24 | H3-S20 PolarHBondContact CE1-OG 3.43Å; H3-S20 VanDerWaalsContact CE1-OG 3.31Å; H3-S20 PolarHBondContact NE2-O 3.24Å; H3-S20 PolarHBondContact NE2-OG 2.95Å; S16-S20 WeakPolarHBondContact O-CB 3.49Å; S16-S20 PolarHBondContact O-N 2.97Å; S16-S20 VanDerWaalsContact O-N 3.12Å; N17-S20 PolarHBondContact O-N 3.45Å; S20-S23 PolarHBondContact O-N 2.99Å; S20-F24 PolarHBondContact O-N 3.19Å |
| 21 | F | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 63 Ų | 63 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.6 | -176.2 | -113.7 | 0 | 0 | 0 | 112.1 | H3 N17 L18 S23 F24 I25 | H3-F21 HydrophobicContact CB-CD2 4.2Å; H3-F21 AromaticContact CD2-CD2 3.8Å; H3-F21 PolarHBondContact NE2-N 3.06Å; N17-F21 WeakPolarHBondContact O-CB 3.43Å; N17-F21 PolarHBondContact O-N 2.92Å; L18-F21 PolarHBondContact O-N 3.13Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.5Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.34Å; F21-F24 VanDerWaalsContact O-N 3.15Å; F21-I25 HydrophobicContact CD1-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.48Å; F21-I25 HydrophobicContact CE1-CG1 4Å; F21-I25 HydrophobicContact CE2-CD1 4.14Å; F21-I25 HydrophobicContact CE2-CG1 4.16Å; F21-I25 HydrophobicContact CZ-CD1 3.92Å; F21-I25 HydrophobicContact CZ-CG1 3.9Å; F21-I25 WeakPolarHBondContact O-CG1 3.33Å; F21-I25 PolarHBondContact O-N 3.34Å |
| 22 | A | 95.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 A19 F24 I25 G26 I69 N70 | L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å; A19-A22 PolarHBondContact O-N 2.85Å; A22-F24 VanDerWaalsContact C-N 3.32Å; A22-F24 PolarHBondContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 3.45Å; A22-G26 PolarHBondContact O-N 2.93Å; A22-I69 HydrophobicContact CB-CG2 3.4Å; A22-N70 WeakPolarHBondContact CA-OD1 3.44Å |
| 23 | S | 96.2 | Very high | 95.7 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 112 | A19 S20 F21 R27 | A19-S23 WeakPolarHBondContact O-CB 3.49Å; A19-S23 PolarHBondContact O-N 2.86Å; S20-S23 PolarHBondContact O-N 2.99Å; F21-S23 VanDerWaalsContact C-N 3.33Å; F21-S23 PolarHBondContact O-N 3.5Å; S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-N 3.13Å; S23-R27 PolarHBondContact OG-NH1 2.77Å |
| 24 | F | 96.2 | Very high | 95.8 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 31% | 0.311 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 173.6 | 173 | -98.1 | 0 | 0 | 0 | 111.6 | H3 S20 F21 A22 G26 R27 S28 | H3-F24 HydrophobicContact CB-CD1 4.36Å; S20-F24 PolarHBondContact O-N 3.19Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.34Å; F21-F24 VanDerWaalsContact O-N 3.15Å; A22-F24 VanDerWaalsContact C-N 3.32Å; A22-F24 PolarHBondContact O-N 3.11Å; F24-G26 PolarHBondContact O-N 3.41Å; F24-R27 PolarHBondContact O-N 3.46Å; F24-S28 PolarHBondContact O-N 3.36Å; F24-S28 PolarHBondContact O-OG 2.84Å |
| 25 | I | 96 | Very high | 95.7 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.8 | -66 | -62 | 0 | 0 | 0 | 111.6 | F21 A22 R27 S28 T29 V34 N70 | F21-I25 HydrophobicContact CD1-CG1 4.36Å; F21-I25 HydrophobicContact CE1-CD1 4.48Å; F21-I25 HydrophobicContact CE1-CG1 4Å; F21-I25 HydrophobicContact CE2-CD1 4.14Å; F21-I25 HydrophobicContact CE2-CG1 4.16Å; F21-I25 HydrophobicContact CZ-CD1 3.92Å; F21-I25 HydrophobicContact CZ-CG1 3.9Å; F21-I25 WeakPolarHBondContact O-CG1 3.33Å; F21-I25 PolarHBondContact O-N 3.34Å; A22-I25 PolarHBondContact O-N 3.45Å; I25-R27 PolarHBondContact O-N 3.47Å; I25-S28 CarbonylContact O-C 3.6Å; I25-S28 PolarHBondContact O-N 3.37Å; I25-S28 VanDerWaalsContact O-N 3.15Å; I25-T29 HydrophobicContact CG2-CG2 4.15Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.28Å; I25-T29 PolarHBondContact O-N 2.88Å; I25-T29 PolarHBondContact O-OG1 3.01Å; I25-V34 HydrophobicContact CD1-CG1 4.15Å; I25-V34 HydrophobicContact CG2-CG1 3.85Å; I25-N70 WeakPolarHBondContact CB-OD1 3.38Å; I25-N70 HydrophobicContact CG2-CB 4.44Å |
| 26 | G | 95.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A22 F24 S28 T29 N30 N31 | A22-G26 PolarHBondContact O-N 2.93Å; F24-G26 PolarHBondContact O-N 3.41Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.42Å; G26-T29 PolarHBondContact O-N 3.15Å; G26-N30 PolarHBondContact O-N 3.45Å; G26-N31 PolarHBondContact O-N 3.14Å; G26-N31 PolarHBondContact O-OD1 3.46Å |
| 27 | R | 95.5 | Very high | 95.5 | Very high | 162 Ų | 162 | 62 Ų | 62 | 61% | 0.611 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | 175.3 | -73.1 | -169.6 | -64.4 | -87.6 | -4.2 | 113 | S23 F24 I25 | S23-R27 WeakPolarHBondContact O-CG 3.47Å; S23-R27 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-N 3.13Å; S23-R27 PolarHBondContact OG-NH1 2.77Å; F24-R27 PolarHBondContact O-N 3.46Å; I25-R27 PolarHBondContact O-N 3.47Å |
| 28 | S | 95 | Very high | 95.4 | Very high | 76 Ų | 76 | 70 Ų | 70 | 53% | 0.531 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -80.7 | -14.7 | -178.2 | -64 | 0 | 0 | 0 | 0 | 114.4 | F24 I25 G26 | F24-S28 PolarHBondContact O-N 3.36Å; F24-S28 PolarHBondContact O-OG 2.84Å; I25-S28 CarbonylContact O-C 3.6Å; I25-S28 PolarHBondContact O-N 3.37Å; I25-S28 VanDerWaalsContact O-N 3.15Å; G26-S28 VanDerWaalsContact C-N 3.31Å; G26-S28 PolarHBondContact O-N 3.42Å |
| 29 | T | 94.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 72.4 Ų | 72.4 | 22% | 0.221 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 16.4 | -174.7 | 60.2 | 0 | 0 | 0 | 0 | 113 | I25 G26 N31 A32 G33 V34 | I25-T29 HydrophobicContact CG2-CG2 4.15Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.28Å; I25-T29 PolarHBondContact O-N 2.88Å; I25-T29 PolarHBondContact O-OG1 3.01Å; G26-T29 PolarHBondContact O-N 3.15Å; T29-N31 PolarHBondContact O-N 3.29Å; T29-A32 WeakPolarHBondContact O-CB 3.28Å; T29-A32 PolarHBondContact O-N 2.97Å; T29-G33 WeakPolarHBondContact OG1-CA 3.33Å; T29-G33 PolarHBondContact OG1-N 2.94Å; T29-V34 HydrophobicContact CG2-CG1 4.34Å |
| 30 | N | 94 | Very high | 95.2 | Very high | 153 Ų | 153 | 78.8 Ų | 78.8 | 82% | 0.818 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.7 | -172.6 | -65.9 | -18.8 | 0 | 0 | 0 | 112.2 | G26 A32 | G26-N30 PolarHBondContact O-N 3.45Å; N30-A32 PolarHBondContact O-N 3.47Å; N30-A32 VanDerWaalsContact O-N 3.11Å |
| 31 | N | 92.8 | Very high | 94.9 | Very high | 140 Ų | 140 | 78.8 Ų | 78.8 | 75% | 0.749 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 14.5 | -175.7 | -58.1 | -40.5 | 0 | 0 | 0 | 115.3 | G26 T29 | G26-N31 PolarHBondContact O-N 3.14Å; G26-N31 PolarHBondContact O-OD1 3.46Å; T29-N31 PolarHBondContact O-N 3.29Å |
| 32 | A | 94.1 | Very high | 94.6 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 34% | 0.339 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -78.6 | -24.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T29 N30 R72 | T29-A32 WeakPolarHBondContact O-CB 3.28Å; T29-A32 PolarHBondContact O-N 2.97Å; N30-A32 PolarHBondContact O-N 3.47Å; N30-A32 VanDerWaalsContact O-N 3.11Å; A32-R72 VanDerWaalsContact O-CA 3.24Å; A32-R72 WeakPolarHBondContact O-CA 3.48Å; A32-R72 WeakPolarHBondContact O-CB 3.38Å; A32-R72 VanDerWaalsContact O-CG 3.24Å; A32-R72 WeakPolarHBondContact O-CG 3.47Å |
| 33 | G | 94.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 13% | 0.134 | 46% | 0.462 | C | S | . | . | trans | 82.3 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | T29 N70 | T29-G33 WeakPolarHBondContact OG1-CA 3.33Å; T29-G33 PolarHBondContact OG1-N 2.94Å; G33-N70 CarbonylContact C-O 3.48Å; G33-N70 WeakPolarHBondContact CA-O 3.49Å | ||
| 34 | V | 95.9 | Very high | 94 | Very high | 34 Ų | 34 | 85.5 Ų | 85.5 | 21% | 0.206 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 148.5 | 179 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | I25 T29 I36 L37 N70 L71 R72 | I25-V34 HydrophobicContact CD1-CG1 4.15Å; I25-V34 HydrophobicContact CG2-CG1 3.85Å; T29-V34 HydrophobicContact CG2-CG1 4.34Å; V34-I36 WeakPolarHBondContact CG2-O 3.43Å; V34-L37 HydrophobicContact CG2-CB 4.16Å; V34-N70 HydrophobicContact CG2-CB 4.45Å; V34-N70 WeakPolarHBondContact CG2-O 3.29Å; V34-N70 PolarHBondContact N-O 2.94Å; V34-L71 HydrophobicContact CG2-CD2 4.29Å; V34-R72 PolarHBondContact O-N 3.37Å |
| 35 | H | 95 | Very high | 93.5 | Very high | 146 Ų | 146 | 82.6 Ų | 82.6 | 68% | 0.676 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -71 | -35.8 | 176.2 | -64.2 | 98.9 | 0 | 0 | 0 | 112.5 | R72 | H35-R72 PolarHBondContact NE2-NH1 3.03Š|
| 36 | I | 95 | Very high | 93.1 | Very high | 132 Ų | 132 | 86 Ų | 86 | 68% | 0.677 | 49% | 0.49 | S | S | * | . | trans | -138.7 | 134.5 | -178.3 | -58.6 | 177.3 | 0 | 0 | 0 | 107.5 | V34 M38 | V34-I36 WeakPolarHBondContact CG2-O 3.43Å; I36-M38 HydrophobicContact CG2-CG 4.25Å | ||
| 37 | L | 95.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 90.6 Ų | 90.6 | 24% | 0.236 | 52% | 0.521 | C | S | . | . | trans | -119 | 129.5 | 169.7 | -174.9 | 142.2 | 0 | 0 | 0 | 108.1 | V34 A39 A67 N70 L71 | V34-L37 HydrophobicContact CG2-CB 4.16Å; L37-A39 HydrophobicContact CD2-CB 4.33Å; L37-A67 HydrophobicContact CD2-CB 4.09Å; L37-N70 HydrophobicContact CD1-CB 3.95Å; L37-L71 HydrophobicContact CB-CD2 3.9Å; L37-L71 HydrophobicContact CB-CG 4.19Å | ||
| 38 | M | 95.5 | Very high | 92.2 | Very high | 174 Ų | 174 | 87.4 Ų | 87.4 | 86% | 0.857 | 51% | 0.513 | S | S | * | . | trans | -110.6 | 137.6 | 176.7 | -70 | -177.8 | -82.9 | 0 | 0 | 109.5 | I36 | I36-M38 HydrophobicContact CG2-CG 4.25Š| ||
| 39 | A | 95.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | trans | -141.6 | 133.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L37 Q63 | L37-A39 HydrophobicContact CD2-CB 4.33Å; A39-Q63 HydrophobicContact CB-CB 4.04Å; A39-Q63 HydrophobicContact CB-CG 3.9Å | ||
| 40 | N | 92.5 | Very high | 91.4 | Very high | 168 Ų | 168 | 97.2 Ų | 97.2 | 90% | 0.898 | 55% | 0.547 | S | S | * | . | trans | -143.5 | 40.2 | 179.3 | -172 | 28 | 0 | 0 | 0 | 110 | G42 | N40-G42 PolarHBondContact O-N 3.27Š| ||
| 41 | G | 89.9 | Confident | 91.2 | Very high | 30 Ų | 30 | 93.9 Ų | 93.9 | 31% | 0.309 | 53% | 0.528 | S | S | . | . | trans | -74.1 | 128.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L59 Q63 | G41-L59 WeakPolarHBondContact O-CD2 3.41Å; G41-Q63 VanDerWaalsContact CA-NE2 3.34Å; G41-Q63 PolarHBondContact O-NE2 3.22Å; G41-Q63 VanDerWaalsContact O-NE2 3.14Å | ||
| 42 | G | 90.7 | Very high | 91 | Very high | 61 Ų | 61 | 90.2 Ų | 90.2 | 63% | 0.629 | 51% | 0.507 | S | S | * | . | trans | -152.2 | 160.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N40 | N40-G42 PolarHBondContact O-N 3.27Š| ||
| 43 | F | 89.8 | Confident | 90.5 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 40% | 0.395 | 53% | 0.527 | S | S | . | . | trans | -138.8 | 161.3 | 176.7 | 52.9 | -91.6 | 0 | 0 | 0 | 109.6 | V45 I55 S56 L59 | F43-V45 HydrophobicContact CD2-CG1 3.71Å; F43-V45 HydrophobicContact CE2-CG1 3.46Å; F43-V45 VanDerWaalsContact CE2-CG1 3.46Å; F43-V45 HydrophobicContact CZ-CG1 4.4Å; F43-V45 PolarHBondContact O-N 3.42Å; F43-I55 HydrophobicContact CE2-CB 4.29Å; F43-I55 HydrophobicContact CE2-CG2 3.5Å; F43-I55 VanDerWaalsContact CE2-CG2 3.5Å; F43-I55 HydrophobicContact CZ-CB 4.29Å; F43-I55 HydrophobicContact CZ-CG2 3.68Å; F43-S56 WeakPolarHBondContact CE1-OG 3.45Å; F43-S56 WeakPolarHBondContact CZ-OG 3.35Å; F43-L59 HydrophobicContact CD1-CD2 3.69Å; F43-L59 HydrophobicContact CE1-CB 4.28Å; F43-L59 HydrophobicContact CE1-CD2 3.83Å | ||
| 44 | N | 89.8 | Confident | 90.3 | Very high | 135 Ų | 135 | 101.4 Ų | 101.4 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | trans | -65.9 | 122.8 | -176.6 | -174.3 | 17.1 | 0 | 0 | 0 | 110.9 | S46 | N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.44Å; N44-S46 PolarHBondContact OD1-OG 3.1Å | ||
| 45 | V | 86.7 | Confident | 90 | Very high | 11 Ų | 11 | 103 Ų | 103 | 7% | 0.067 | 55% | 0.552 | C | S | . | * | trans | -126.9 | 23.5 | 178.2 | -68.8 | 0 | 0 | 0 | 0 | 111 | F43 S47 Q48 Y49 Q52 I55 | F43-V45 HydrophobicContact CD2-CG1 3.71Å; F43-V45 HydrophobicContact CE2-CG1 3.46Å; F43-V45 VanDerWaalsContact CE2-CG1 3.46Å; F43-V45 HydrophobicContact CZ-CG1 4.4Å; F43-V45 PolarHBondContact O-N 3.42Å; V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.14Å; V45-Q48 CarbonylContact O-C 3.19Å; V45-Q48 PolarHBondContact O-N 3.26Å; V45-Y49 PolarHBondContact O-N 3.19Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; V45-Q52 HydrophobicContact CB-CB 4.44Å; V45-Q52 HydrophobicContact CG2-CB 3.77Å; V45-Q52 HydrophobicContact CG2-CG 3.65Å; V45-I55 HydrophobicContact CG1-CD1 4.39Å | ||
| 46 | S | 86.2 | Confident | 89.8 | Confident | 91 Ų | 91 | 96 Ų | 96 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -54.8 | -34.7 | -173.3 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | N44 Q48 | N44-S46 VanDerWaalsContact OD1-CB 3.29Å; N44-S46 WeakPolarHBondContact OD1-CB 3.37Å; N44-S46 PolarHBondContact OD1-N 3.44Å; N44-S46 PolarHBondContact OD1-OG 3.1Å; S46-Q48 VanDerWaalsContact C-N 3.29Å; S46-Q48 PolarHBondContact O-N 3.14Å |
| 47 | S | 85.9 | Confident | 89.8 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 75% | 0.748 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -72 | -20.3 | 178 | 58.6 | 0 | 0 | 0 | 0 | 114 | V45 | V45-S47 PolarHBondContact O-N 2.92Å; V45-S47 VanDerWaalsContact O-N 3.14Å |
| 48 | Q | 86.7 | Confident | 89.8 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -141 | 48.7 | -173.7 | -60.7 | -176.3 | 16 | 0 | 0 | 110.5 | V45 S46 N50 L51 Q52 I55 | V45-Q48 CarbonylContact O-C 3.19Å; V45-Q48 PolarHBondContact O-N 3.26Å; S46-Q48 VanDerWaalsContact C-N 3.29Å; S46-Q48 PolarHBondContact O-N 3.14Å; Q48-N50 VanDerWaalsContact C-N 3.25Å; Q48-N50 PolarHBondContact O-N 2.89Å; Q48-L51 HydrophobicContact CB-CB 4.16Å; Q48-L51 HydrophobicContact CB-CD1 4.33Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 WeakPolarHBondContact O-CA 3.44Å; Q48-L51 PolarHBondContact O-N 3.36Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Q48-I55 HydrophobicContact CB-CD1 3.89Å |
| 49 | Y | 85.8 | Confident | 89.8 | Confident | 162 Ų | 162 | 92.1 Ų | 92.1 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -52.5 | -43.5 | -175.8 | -177.6 | -96.9 | 0 | 0 | 0 | 112.7 | V45 L51 Q52 | V45-Y49 PolarHBondContact O-N 3.19Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; Y49-L51 PolarHBondContact O-N 2.84Å; Y49-L51 VanDerWaalsContact O-N 3.12Å; Y49-Q52 WeakPolarHBondContact O-CB 3.47Å; Y49-Q52 PolarHBondContact O-N 3.33Å |
| 50 | N | 87.6 | Confident | 89.8 | Confident | 156 Ų | 156 | 93.6 Ų | 93.6 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.5 | 178 | -64 | -18.6 | 0 | 0 | 0 | 113.2 | Q48 | Q48-N50 VanDerWaalsContact C-N 3.25Å; Q48-N50 PolarHBondContact O-N 2.89Å |
| 51 | L | 90.5 | Very high | 89.9 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -98.7 | 3.2 | 179 | -60 | 177.6 | 0 | 0 | 0 | 113 | Q48 Y49 R53 V54 I55 | Q48-L51 HydrophobicContact CB-CB 4.16Å; Q48-L51 HydrophobicContact CB-CD1 4.33Å; Q48-L51 CarbonylContact O-C 3.52Å; Q48-L51 WeakPolarHBondContact O-CA 3.44Å; Q48-L51 PolarHBondContact O-N 3.36Å; Y49-L51 PolarHBondContact O-N 2.84Å; Y49-L51 VanDerWaalsContact O-N 3.12Å; L51-R53 PolarHBondContact O-N 3.12Å; L51-R53 VanDerWaalsContact O-N 3.09Å; L51-V54 WeakPolarHBondContact O-CA 3.33Å; L51-V54 WeakPolarHBondContact O-CB 3.4Å; L51-V54 PolarHBondContact O-N 3.47Å; L51-I55 HydrophobicContact CB-CD1 3.92Å; L51-I55 HydrophobicContact CB-CG1 4.14Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 2.9Å |
| 52 | Q | 87.7 | Confident | 90.3 | Very high | 64 Ų | 64 | 90.7 Ų | 90.7 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -45.4 | -48.2 | -179.3 | 176.6 | 168.1 | 35 | 0 | 0 | 112.3 | V45 Q48 Y49 V54 I55 S56 | V45-Q52 HydrophobicContact CB-CB 4.44Å; V45-Q52 HydrophobicContact CG2-CB 3.77Å; V45-Q52 HydrophobicContact CG2-CG 3.65Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Y49-Q52 WeakPolarHBondContact O-CB 3.47Å; Y49-Q52 PolarHBondContact O-N 3.33Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 3.42Å; Q52-I55 PolarHBondContact O-N 3.5Å; Q52-S56 VanDerWaalsContact O-CB 3.26Å; Q52-S56 WeakPolarHBondContact O-CB 3.33Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 2.99Å; Q52-S56 VanDerWaalsContact O-OG 3.07Å |
| 53 | R | 83.4 | Confident | 90.6 | Very high | 202 Ų | 202 | 89.1 Ų | 89.1 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 179.9 | -170.9 | -176.3 | -53.6 | -74 | -3.2 | 112.7 | L51 K57 | L51-R53 PolarHBondContact O-N 3.12Å; L51-R53 VanDerWaalsContact O-N 3.09Å; R53-K57 PolarHBondContact O-N 2.97Å |
| 54 | V | 90.2 | Very high | 90.9 | Very high | 87 Ų | 87 | 88.5 Ų | 88.5 | 53% | 0.527 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.5 | -43.7 | -178.9 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L51 Q52 K57 | L51-V54 WeakPolarHBondContact O-CA 3.33Å; L51-V54 WeakPolarHBondContact O-CB 3.4Å; L51-V54 PolarHBondContact O-N 3.47Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 3.42Å; V54-K57 WeakPolarHBondContact O-CB 3.46Å; V54-K57 WeakPolarHBondContact O-CD 3.39Å; V54-K57 WeakPolarHBondContact O-CG 3.46Å; V54-K57 PolarHBondContact O-N 3.48Å |
| 55 | I | 89.5 | Confident | 91.2 | Very high | 67 Ų | 67 | 85.3 Ų | 85.3 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | -177.8 | -53.6 | 167 | 0 | 0 | 0 | 109.8 | F43 V45 Q48 L51 Q52 K57 | F43-I55 HydrophobicContact CE2-CB 4.29Å; F43-I55 HydrophobicContact CE2-CG2 3.5Å; F43-I55 VanDerWaalsContact CE2-CG2 3.5Å; F43-I55 HydrophobicContact CZ-CB 4.29Å; F43-I55 HydrophobicContact CZ-CG2 3.68Å; V45-I55 HydrophobicContact CG1-CD1 4.39Å; Q48-I55 HydrophobicContact CB-CD1 3.89Å; L51-I55 HydrophobicContact CB-CD1 3.92Å; L51-I55 HydrophobicContact CB-CG1 4.14Å; L51-I55 WeakPolarHBondContact O-CG1 3.26Å; L51-I55 PolarHBondContact O-N 2.9Å; Q52-I55 PolarHBondContact O-N 3.5Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.12Å |
| 56 | S | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.5 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 114.6 | F43 Q52 Q58 L59 Y60 | F43-S56 WeakPolarHBondContact CE1-OG 3.45Å; F43-S56 WeakPolarHBondContact CZ-OG 3.35Å; Q52-S56 VanDerWaalsContact O-CB 3.26Å; Q52-S56 WeakPolarHBondContact O-CB 3.33Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 PolarHBondContact O-OG 2.99Å; Q52-S56 VanDerWaalsContact O-OG 3.07Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.09Å; S56-L59 PolarHBondContact O-N 3.25Å; S56-L59 VanDerWaalsContact O-N 3.11Å; S56-Y60 WeakPolarHBondContact O-CD2 3.17Å; S56-Y60 PolarHBondContact O-N 2.85Å |
| 57 | K | 94.5 | Very high | 92.1 | Very high | 138 Ų | 138 | 82.1 Ų | 82.1 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.6 | -41.9 | -175.8 | 72.7 | -172 | 167.6 | 69.4 | 0 | 113.5 | R53 V54 I55 L61 | R53-K57 PolarHBondContact O-N 2.97Å; V54-K57 WeakPolarHBondContact O-CB 3.46Å; V54-K57 WeakPolarHBondContact O-CD 3.39Å; V54-K57 WeakPolarHBondContact O-CG 3.46Å; V54-K57 PolarHBondContact O-N 3.48Å; I55-K57 VanDerWaalsContact C-N 3.26Å; I55-K57 PolarHBondContact O-N 3.12Å; K57-L61 WeakPolarHBondContact O-CB 3.42Å; K57-L61 PolarHBondContact O-N 3.47Å |
| 58 | Q | 94.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 83.8 Ų | 83.8 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | -179.2 | -178.3 | 177.3 | 1.4 | 0 | 0 | 110.4 | T13 S56 Y60 L61 C62 | T13-Q58 HydrophobicContact CG2-CG 4.19Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.09Å; Q58-Y60 PolarHBondContact O-N 3.37Å; Q58-L61 PolarHBondContact O-N 3.38Å; Q58-C62 WeakPolarHBondContact O-CB 3.37Å; Q58-C62 PolarHBondContact O-N 3.08Å; Q58-C62 PolarHBondContact O-SG 3.14Å |
| 59 | L | 95.4 | Very high | 93 | Very high | 24 Ų | 24 | 82.4 Ų | 82.4 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 178.6 | 177.3 | 58.2 | 0 | 0 | 0 | 111.5 | V12 G41 F43 S56 C62 Q63 | V12-L59 HydrophobicContact CG1-CD1 3.63Å; G41-L59 WeakPolarHBondContact O-CD2 3.41Å; F43-L59 HydrophobicContact CD1-CD2 3.69Å; F43-L59 HydrophobicContact CE1-CB 4.28Å; F43-L59 HydrophobicContact CE1-CD2 3.83Å; S56-L59 PolarHBondContact O-N 3.25Å; S56-L59 VanDerWaalsContact O-N 3.11Å; L59-C62 PolarHBondContact O-N 2.93Å; L59-Q63 HydrophobicContact CD1-CG 4.4Å; L59-Q63 VanDerWaalsContact CG-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 2.87Å |
| 60 | Y | 94.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 74.8 Ų | 74.8 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.9 | -61.8 | -33.2 | 0 | 0 | 0 | 112.5 | S56 Q58 C62 Q63 C64 | S56-Y60 WeakPolarHBondContact O-CD2 3.17Å; S56-Y60 PolarHBondContact O-N 2.85Å; Q58-Y60 PolarHBondContact O-N 3.37Å; Y60-C62 VanDerWaalsContact C-N 3.32Å; Y60-C62 PolarHBondContact O-N 2.92Å; Y60-Q63 PolarHBondContact O-N 3.07Å; Y60-C64 PolarHBondContact O-N 3.25Å; Y60-C64 PolarHBondContact O-SG 2.66Å; Y60-C64 VanDerWaalsContact O-SG 3.35Å |
| 61 | L | 96.4 | Very high | 93.8 | Very high | 121 Ų | 121 | 70.7 Ų | 70.7 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 175.6 | -178 | 65.4 | 0 | 0 | 0 | 111.3 | K57 Q58 C64 L65 | K57-L61 WeakPolarHBondContact O-CB 3.42Å; K57-L61 PolarHBondContact O-N 3.47Å; Q58-L61 PolarHBondContact O-N 3.38Å; L61-C64 PolarHBondContact O-N 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.31Å |
| 62 | C | 97.1 | Very high | 94 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 178.7 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | V12 Q58 L59 Y60 L65 C66 | V12-C62 HydrophobicContact CG1-CB 4.17Å; V12-C62 HydrophobicContact CG2-CB 4.35Å; Q58-C62 WeakPolarHBondContact O-CB 3.37Å; Q58-C62 PolarHBondContact O-N 3.08Å; Q58-C62 PolarHBondContact O-SG 3.14Å; L59-C62 PolarHBondContact O-N 2.93Å; Y60-C62 VanDerWaalsContact C-N 3.32Å; Y60-C62 PolarHBondContact O-N 2.92Å; C62-L65 PolarHBondContact O-N 3.15Å; C62-C66 VanDerWaalsContact O-CB 3.28Å; C62-C66 WeakPolarHBondContact O-CB 3.12Å; C62-C66 PolarHBondContact O-N 3.24Å |
| 63 | Q | 96.5 | Very high | 94 | Very high | 29 Ų | 29 | 73.2 Ų | 73.2 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 172 | -73.8 | 177.9 | 58.6 | 0 | 0 | 111.6 | A39 G41 L59 Y60 C66 A67 | A39-Q63 HydrophobicContact CB-CB 4.04Å; A39-Q63 HydrophobicContact CB-CG 3.9Å; G41-Q63 VanDerWaalsContact CA-NE2 3.34Å; G41-Q63 PolarHBondContact O-NE2 3.22Å; G41-Q63 VanDerWaalsContact O-NE2 3.14Å; L59-Q63 HydrophobicContact CD1-CG 4.4Å; L59-Q63 VanDerWaalsContact CG-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 2.87Å; Y60-Q63 PolarHBondContact O-N 3.07Å; Q63-C66 WeakPolarHBondContact O-CB 3.46Å; Q63-C66 PolarHBondContact O-N 2.86Å; Q63-A67 PolarHBondContact O-N 3.11Å |
| 64 | C | 96.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.3 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | Y60 L61 C66 A67 L68 | Y60-C64 PolarHBondContact O-N 3.25Å; Y60-C64 PolarHBondContact O-SG 2.66Å; Y60-C64 VanDerWaalsContact O-SG 3.35Å; L61-C64 PolarHBondContact O-N 3.25Å; C64-C66 VanDerWaalsContact C-N 3.31Å; C64-C66 PolarHBondContact O-N 3.19Å; C64-A67 WeakPolarHBondContact O-CB 3.41Å; C64-A67 PolarHBondContact O-N 3.03Å; C64-L68 WeakPolarHBondContact O-CG 3.34Å; C64-L68 PolarHBondContact O-N 3.37Å |
| 65 | L | 96.2 | Very high | 92.6 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 177 | -177.3 | 61.5 | 0 | 0 | 0 | 111.3 | L18 L61 C62 A67 L68 I69 | L18-L65 HydrophobicContact CD2-CB 4.41Å; L18-L65 HydrophobicContact CD2-CD2 3.7Å; L18-L65 HydrophobicContact CD2-CG 3.86Å; L61-L65 WeakPolarHBondContact O-CB 3.2Å; L61-L65 PolarHBondContact O-N 3.31Å; C62-L65 PolarHBondContact O-N 3.15Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.34Å; L65-L68 PolarHBondContact O-N 2.67Å; L65-I69 HydrophobicContact CD1-CD1 3.94Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CD2-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.47Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 2.86Å |
| 66 | C | 96.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 71.3 Ų | 71.3 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 112 | V12 L18 C62 Q63 C64 I69 N70 | V12-C66 HydrophobicContact CG2-CB 4.45Å; L18-C66 HydrophobicContact CD1-CB 3.62Å; C62-C66 VanDerWaalsContact O-CB 3.28Å; C62-C66 WeakPolarHBondContact O-CB 3.12Å; C62-C66 PolarHBondContact O-N 3.24Å; Q63-C66 WeakPolarHBondContact O-CB 3.46Å; Q63-C66 PolarHBondContact O-N 2.86Å; C64-C66 VanDerWaalsContact C-N 3.31Å; C64-C66 PolarHBondContact O-N 3.19Å; C66-I69 PolarHBondContact O-N 3.17Å; C66-N70 WeakPolarHBondContact O-CB 3.41Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 VanDerWaalsContact O-N 3.11Å; C66-N70 PolarHBondContact O-ND2 3.25Å |
| 67 | A | 96.2 | Very high | 88.9 | Confident | 24 Ų | 24 | 75 Ų | 75 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 Q63 C64 L65 I69 N70 L71 | L37-A67 HydrophobicContact CD2-CB 4.09Å; Q63-A67 PolarHBondContact O-N 3.11Å; C64-A67 WeakPolarHBondContact O-CB 3.41Å; C64-A67 PolarHBondContact O-N 3.03Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.34Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.91Å; A67-N70 PolarHBondContact O-N 3.03Å; A67-L71 HydrophobicContact CB-CD1 3.87Å; A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CD1 3.36Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.33Å |
| 68 | L | 95.2 | Very high | 86.5 | Confident | 141 Ų | 141 | 75.6 Ų | 75.6 | 74% | 0.738 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.5 | -34.9 | -179 | -68.9 | 173.1 | 0 | 0 | 0 | 113.4 | C64 L65 | C64-L68 WeakPolarHBondContact O-CG 3.34Å; C64-L68 PolarHBondContact O-N 3.37Å; L65-L68 PolarHBondContact O-N 2.67Å |
| 69 | I | 94.9 | Very high | 84.3 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 34% | 0.344 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -77.1 | -36.8 | -179.5 | -68.1 | 167.5 | 0 | 0 | 0 | 111.9 | W15 L18 A22 L65 C66 A67 | W15-I69 HydrophobicContact CH2-CD1 4.43Å; W15-I69 HydrophobicContact CZ3-CD1 3.96Å; L18-I69 HydrophobicContact CD2-CD1 3.84Å; L18-I69 HydrophobicContact CG-CD1 4.1Å; A22-I69 HydrophobicContact CB-CG2 3.4Å; L65-I69 HydrophobicContact CD1-CD1 3.94Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CD2-CD1 4.46Å; L65-I69 HydrophobicContact CG-CD1 3.76Å; L65-I69 HydrophobicContact CG-CG1 4.47Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.2Å; L65-I69 PolarHBondContact O-N 2.86Å; C66-I69 PolarHBondContact O-N 3.17Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.91Å |
| 70 | N | 96 | Very high | 82 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 2% | 0.016 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -105.1 | -18.9 | -166.3 | -68 | -80.7 | 0 | 0 | 0 | 114.4 | A22 I25 G33 V34 L37 C66 A67 | A22-N70 WeakPolarHBondContact CA-OD1 3.44Å; I25-N70 WeakPolarHBondContact CB-OD1 3.38Å; I25-N70 HydrophobicContact CG2-CB 4.44Å; G33-N70 CarbonylContact C-O 3.48Å; G33-N70 WeakPolarHBondContact CA-O 3.49Å; V34-N70 HydrophobicContact CG2-CB 4.45Å; V34-N70 WeakPolarHBondContact CG2-O 3.29Å; V34-N70 PolarHBondContact N-O 2.94Å; L37-N70 HydrophobicContact CD1-CB 3.95Å; C66-N70 WeakPolarHBondContact O-CB 3.41Å; C66-N70 PolarHBondContact O-N 3.28Å; C66-N70 VanDerWaalsContact O-N 3.11Å; C66-N70 PolarHBondContact O-ND2 3.25Å; A67-N70 PolarHBondContact O-N 3.03Å |
| 71 | L | 95.7 | Very high | 79.5 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 138.7 | 179.9 | -76.1 | 169.6 | 0 | 0 | 0 | 111.5 | V34 L37 A67 | V34-L71 HydrophobicContact CG2-CD2 4.29Å; L37-L71 HydrophobicContact CB-CD2 3.9Å; L37-L71 HydrophobicContact CB-CG 4.19Å; A67-L71 HydrophobicContact CB-CD1 3.87Å; A67-L71 WeakPolarHBondContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CD1 3.36Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.33Å |
| 72 | R | 93.7 | Very high | 76.6 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.9 | 170.4 | -178.4 | 173.2 | 179 | -172.9 | 2.4 | 110.5 | A32 V34 H35 A74 | A32-R72 VanDerWaalsContact O-CA 3.24Å; A32-R72 WeakPolarHBondContact O-CA 3.48Å; A32-R72 WeakPolarHBondContact O-CB 3.38Å; A32-R72 VanDerWaalsContact O-CG 3.24Å; A32-R72 WeakPolarHBondContact O-CG 3.47Å; V34-R72 PolarHBondContact O-N 3.37Å; H35-R72 PolarHBondContact NE2-NH1 3.03Å; R72-A74 PolarHBondContact O-N 2.98Å |
| 73 | P | 88.8 | Confident | 73.7 | Confident | 76 Ų | 76 | 100.2 Ų | 100.2 | 49% | 0.494 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 131.1 | 170.3 | -23.8 | 33.9 | 0 | 0 | 0 | 111.8 | ||
| 74 | A | 76.4 | Confident | 72.6 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 92% | 0.917 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -69.7 | -31.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R72 G76 | R72-A74 PolarHBondContact O-N 2.98Å; A74-G76 PolarHBondContact O-N 3.22Å |
| 75 | I | 67.7 | Low | 71.3 | Confident | 144 Ų | 144 | 105.3 Ų | 105.3 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -71.4 | 119.5 | 168.2 | -70.9 | 168.1 | 0 | 0 | 0 | 106.1 | S77 | I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.43Å |
| 76 | G | 54.1 | Low | 69.9 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | trans | -51.3 | 96.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A74 N78 | A74-G76 PolarHBondContact O-N 3.22Å; G76-N78 PolarHBondContact O-N 3.48Å | ||
| 77 | S | 49.9 | Very low | 68.4 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | trans | -71 | 81.3 | 172.2 | -85.4 | 0 | 0 | 0 | 0 | 107.8 | I75 K79 | I75-S77 VanDerWaalsContact C-N 3.32Å; I75-S77 PolarHBondContact O-N 3.43Å; S77-K79 PolarHBondContact O-N 2.65Å; S77-K79 VanDerWaalsContact O-N 3.12Å | ||
| 78 | N | 43.9 | Very low | 66.6 | Low | 151 Ų | 151 | 118.5 Ų | 118.5 | 81% | 0.807 | 65% | 0.647 | S | S | * | * | trans | -76.4 | 50.1 | 150.2 | -144.4 | 3.9 | 0 | 0 | 0 | 108.4 | G76 | G76-N78 PolarHBondContact O-N 3.48Š| ||
| 79 | K | 47.9 | Very low | 64.7 | Low | 190 Ų | 190 | 117 Ų | 117 | 83% | 0.826 | 64% | 0.641 | S | S | * | * | trans | -113.1 | 65.1 | 177.2 | -75.8 | -151.8 | 178.7 | -171.9 | 0 | 109.2 | S77 | S77-K79 PolarHBondContact O-N 2.65Å; S77-K79 VanDerWaalsContact O-N 3.12Å | ||
| 80 | A | 47.5 | Very low | 62.6 | Low | 100 Ų | 100 | 120.6 Ų | 120.6 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | trans | 168 | 58.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 81 | D | 42.2 | Very low | 60 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 139.1 | 138.2 | 176.6 | 32.5 | 0 | 0 | 0 | 106 | ||||
| 82 | K | 35.8 | Very low | 57 | Low | 178 Ų | 178 | 134.6 Ų | 134.6 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | trans | 84.1 | 80.8 | 170.6 | -45.9 | -171.3 | -176.3 | -176.7 | 0 | 119.8 | ||||
| 83 | K | 36.5 | Very low | 53.7 | Low | 286 Ų | 286 | 135.6 Ų | 135.6 | 100% | 1.243 | 77% | 0.765 | S | S | * | * | -159.4 | 0 | 109.6 | -108.9 | -167.1 | -177.5 | -164.9 | 0 | 111.4 |
Retrieved 83 of 83 residues in 35.1 ms
(Link to these results)