| 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 | 53.1 | Low | 59.5 | Low | 214 Ų | 214 | 102.5 Ų | 102.5 | 100% | 1.054 | 52% | 0.52 | S | S | * | . | 0 | -22.6 | 0 | -91.5 | -178 | 176.1 | 0 | 0 | 114.8 | I3 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.99Å | |||
| 2 | V | 49.4 | Very low | 60.1 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -35.2 | -177.8 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | R4 I5 S6 | V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.43Å; V2-I5 PolarHBondContact O-N 3.44Å; V2-S6 PolarHBondContact O-N 2.58Å; V2-S6 VanDerWaalsContact O-N 3.16Å; V2-S6 PolarHBondContact O-OG 3.35Å |
| 3 | I | 53.4 | Low | 60.1 | Low | 127 Ų | 127 | 97 Ų | 97 | 65% | 0.651 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.6 | -37.1 | -177.5 | -55.8 | 174.5 | 0 | 0 | 0 | 112.7 | M1 S6 E7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.99Å; I3-S6 WeakPolarHBondContact CA-OG 3.13Å; I3-S6 PolarHBondContact O-N 3.33Å; I3-S6 PolarHBondContact O-OG 3Å; I3-E7 WeakPolarHBondContact O-CG 3.21Å; I3-E7 PolarHBondContact O-N 3.34Å |
| 4 | R | 57.6 | Low | 60.2 | Low | 189 Ų | 189 | 95.4 Ų | 95.4 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.2 | -41 | -179 | -71.2 | -111.6 | -93.9 | -100.1 | -0.3 | 112.4 | V2 S6 E7 I8 | V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 3.43Å; R4-S6 PolarHBondContact O-N 3.16Å; R4-E7 PolarHBondContact O-N 3.43Å; R4-I8 WeakPolarHBondContact O-CD1 2.98Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.19Å |
| 5 | I | 61.9 | Low | 60.6 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.4 | -61 | 170.8 | 0 | 0 | 0 | 109.3 | V2 A9 | V2-I5 PolarHBondContact O-N 3.44Å; I5-A9 WeakPolarHBondContact O-CB 3.18Å; I5-A9 PolarHBondContact O-N 3.35Å |
| 6 | S | 56.5 | Low | 60.7 | Low | 18 Ų | 18 | 95.4 Ų | 95.4 | 13% | 0.126 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 177.5 | 31.9 | 0 | 0 | 0 | 0 | 113.2 | V2 I3 R4 I8 A9 C10 V25 | V2-S6 PolarHBondContact O-N 2.58Å; V2-S6 VanDerWaalsContact O-N 3.16Å; V2-S6 PolarHBondContact O-OG 3.35Å; I3-S6 WeakPolarHBondContact CA-OG 3.13Å; I3-S6 PolarHBondContact O-N 3.33Å; I3-S6 PolarHBondContact O-OG 3Å; R4-S6 PolarHBondContact O-N 3.16Å; S6-I8 VanDerWaalsContact C-N 3.32Å; S6-I8 PolarHBondContact O-N 3.07Å; S6-A9 PolarHBondContact O-N 2.02Å; S6-C10 PolarHBondContact O-N 3.27Å; S6-V25 WeakPolarHBondContact O-CG1 3.4Å |
| 7 | E | 61.6 | Low | 60.6 | Low | 121 Ų | 121 | 95.4 Ų | 95.4 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | -179.9 | -68.3 | 178.1 | 105.2 | 0 | 0 | 112 | I3 R4 C10 N11 | I3-E7 WeakPolarHBondContact O-CG 3.21Å; I3-E7 PolarHBondContact O-N 3.34Å; R4-E7 PolarHBondContact O-N 3.43Å; E7-C10 WeakPolarHBondContact O-CB 3.41Å; E7-C10 PolarHBondContact O-N 3.41Å; E7-N11 WeakPolarHBondContact O-CB 3.38Å; E7-N11 PolarHBondContact O-N 2.93Å |
| 8 | I | 66.3 | Low | 60.4 | Low | 115 Ų | 115 | 93 Ų | 93 | 59% | 0.59 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 176 | -66.3 | 164.2 | 0 | 0 | 0 | 111 | R4 S6 C10 N11 L12 | R4-I8 WeakPolarHBondContact O-CD1 2.98Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.19Å; S6-I8 VanDerWaalsContact C-N 3.32Å; S6-I8 PolarHBondContact O-N 3.07Å; I8-C10 VanDerWaalsContact C-N 3.3Å; I8-C10 PolarHBondContact O-N 3.36Å; I8-N11 PolarHBondContact O-N 3.44Å; I8-L12 WeakPolarHBondContact O-CB 2.68Å; I8-L12 PolarHBondContact O-N 3.15Å |
| 9 | A | 65.3 | Low | 60 | Low | 29 Ų | 29 | 90.1 Ų | 90.1 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I5 S6 C13 I28 | I5-A9 WeakPolarHBondContact O-CB 3.18Å; I5-A9 PolarHBondContact O-N 3.35Å; S6-A9 PolarHBondContact O-N 2.02Å; A9-C13 PolarHBondContact O-N 3.25Å; A9-I28 HydrophobicContact CB-CD1 4.15Å |
| 10 | C | 62.8 | Low | 59.8 | Low | 33 Ų | 33 | 90.8 Ų | 90.8 | 22% | 0.223 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | S6 E7 I8 L12 C13 L14 C23 V25 | S6-C10 PolarHBondContact O-N 3.27Å; E7-C10 WeakPolarHBondContact O-CB 3.41Å; E7-C10 PolarHBondContact O-N 3.41Å; I8-C10 VanDerWaalsContact C-N 3.3Å; I8-C10 PolarHBondContact O-N 3.36Å; C10-L12 PolarHBondContact O-N 3.46Å; C10-C13 PolarHBondContact O-N 2.82Å; C10-L14 WeakPolarHBondContact O-CB 3Å; C10-L14 PolarHBondContact O-N 2.94Å; C10-C23 WeakPolarHBondContact CA-SG 3.4Å; C10-C23 HydrophobicContact CB-CB 3.26Å; C10-C23 WeakPolarHBondContact CB-SG 3.33Å; C10-C23 PolarHBondContact O-SG 3.05Å; C10-C23 WeakPolarHBondContact SG-CB 3.39Å; C10-C23 CovalentContact SG-SG 2.02Å; C10-C23 PolarHBondContact SG-SG 2.9Å; C10-V25 HydrophobicContact CB-CG2 4.03Å |
| 11 | N | 66.3 | Low | 59.4 | Low | 98 Ų | 98 | 94.4 Ų | 94.4 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | -177 | -159.1 | -65.1 | 0 | 0 | 0 | 111.2 | E7 I8 L14 T15 | E7-N11 WeakPolarHBondContact O-CB 3.38Å; E7-N11 PolarHBondContact O-N 2.93Å; I8-N11 PolarHBondContact O-N 3.44Å; N11-L14 PolarHBondContact O-N 3.3Å; N11-T15 WeakPolarHBondContact O-CB 3.39Å; N11-T15 PolarHBondContact O-N 3.02Å; N11-T15 PolarHBondContact O-OG1 2.09Å; N11-T15 PolarHBondContact OD1-OG1 3.11Å |
| 12 | L | 67 | Low | 59.3 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 172.4 | -167.2 | 72.4 | 0 | 0 | 0 | 112.3 | I8 C10 L14 T15 T16 | I8-L12 WeakPolarHBondContact O-CB 2.68Å; I8-L12 PolarHBondContact O-N 3.15Å; C10-L12 PolarHBondContact O-N 3.46Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-T15 PolarHBondContact O-N 3.3Å; L12-T16 WeakPolarHBondContact O-CB 3.25Å; L12-T16 PolarHBondContact O-N 3.31Å; L12-T16 PolarHBondContact O-OG1 3.44Å |
| 13 | C | 60 | Low | 59.3 | Low | 21 Ų | 21 | 89 Ų | 89 | 14% | 0.142 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.9 | -76.7 | 0 | 0 | 0 | 0 | 111 | A9 C10 F17 C30 | A9-C13 PolarHBondContact O-N 3.25Å; C10-C13 PolarHBondContact O-N 2.82Å; C13-F17 WeakPolarHBondContact O-CB 3.42Å; C13-F17 PolarHBondContact O-N 2.85Å; C13-C30 WeakPolarHBondContact CB-SG 3.05Å; C13-C30 WeakPolarHBondContact SG-CB 3.42Å; C13-C30 CovalentContact SG-SG 2.09Å; C13-C30 PolarHBondContact SG-SG 3.12Å |
| 14 | L | 62 | Low | 59.2 | Low | 75 Ų | 75 | 90.7 Ų | 90.7 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 177.5 | -174.2 | 69.7 | 0 | 0 | 0 | 111.8 | C10 N11 L12 G18 C19 | C10-L14 WeakPolarHBondContact O-CB 3Å; C10-L14 PolarHBondContact O-N 2.94Å; N11-L14 PolarHBondContact O-N 3.3Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-G18 WeakPolarHBondContact O-CA 3.49Å; L14-G18 PolarHBondContact O-N 3.06Å; L14-C19 WeakPolarHBondContact CD1-O 3.24Å |
| 15 | T | 65.6 | Low | 59 | Low | 107 Ų | 107 | 83.7 Ų | 83.7 | 66% | 0.656 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.3 | -39.7 | -176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | N11 L12 | N11-T15 WeakPolarHBondContact O-CB 3.39Å; N11-T15 PolarHBondContact O-N 3.02Å; N11-T15 PolarHBondContact O-OG1 2.09Å; N11-T15 PolarHBondContact OD1-OG1 3.11Å; L12-T15 PolarHBondContact O-N 3.3Å |
| 16 | T | 62.3 | Low | 58.4 | Low | 83 Ų | 83 | 86 Ų | 86 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -83.9 | -35.8 | -173.1 | -50.7 | 0 | 0 | 0 | 0 | 112.3 | L12 | L12-T16 WeakPolarHBondContact O-CB 3.25Å; L12-T16 PolarHBondContact O-N 3.31Å; L12-T16 PolarHBondContact O-OG1 3.44Å |
| 17 | F | 59.5 | Low | 58 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -114 | -3.4 | -171.6 | -59 | -79.4 | 0 | 0 | 0 | 113.8 | C13 C19 L40 | C13-F17 WeakPolarHBondContact O-CB 3.42Å; C13-F17 PolarHBondContact O-N 2.85Å; F17-C19 PolarHBondContact O-N 3.13Å; F17-L40 HydrophobicContact CD1-CD1 3.97Å; F17-L40 HydrophobicContact CD2-CD1 4.49Å; F17-L40 HydrophobicContact CE1-CD1 3.47Å; F17-L40 VanDerWaalsContact CE1-CD1 3.47Å; F17-L40 HydrophobicContact CE2-CD1 4.06Å; F17-L40 HydrophobicContact CG-CD1 4.46Å; F17-L40 HydrophobicContact CZ-CD1 3.52Å |
| 18 | G | 55.9 | Low | 57.5 | Low | 53 Ų | 53 | 87 Ų | 87 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | trans | 63.6 | 24.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L14 P20 | L14-G18 WeakPolarHBondContact O-CA 3.49Å; L14-G18 PolarHBondContact O-N 3.06Å; G18-P20 WeakPolarHBondContact O-CD 3.04Å | ||
| 19 | C | 54.2 | Low | 56.6 | Low | 38 Ų | 38 | 88.4 Ų | 88.4 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | trans | -74.9 | 96.7 | -178.5 | -71.3 | 0 | 0 | 0 | 0 | 110.4 | L14 F17 H21 | L14-C19 WeakPolarHBondContact CD1-O 3.24Å; F17-C19 PolarHBondContact O-N 3.13Å; C19-H21 VanDerWaalsContact C-N 3.31Å; C19-H21 PolarHBondContact O-N 2.83Å; C19-H21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | P | 55.1 | Low | 55.7 | Low | 103 Ų | 103 | 88.2 Ų | 88.2 | 67% | 0.669 | 46% | 0.464 | S | S | * | . | trans | -80.9 | -2.4 | -158.9 | 24 | -16.6 | 0 | 0 | 0 | 114.7 | G18 | G18-P20 WeakPolarHBondContact O-CD 3.04Š| ||
| 21 | H | 51.8 | Low | 55 | Low | 168 Ų | 168 | 90.9 Ų | 90.9 | 78% | 0.778 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -147.7 | -1.7 | -167 | -90.3 | -84.6 | 0 | 0 | 0 | 120.1 | C19 | C19-H21 VanDerWaalsContact C-N 3.31Å; C19-H21 PolarHBondContact O-N 2.83Å; C19-H21 VanDerWaalsContact O-N 3.15Å |
| 22 | L | 50.5 | Low | 54 | Low | 152 Ų | 152 | 87.5 Ų | 87.5 | 80% | 0.796 | 46% | 0.456 | S | S | * | . | trans | -148.2 | 102.3 | 175.6 | -78.5 | 105.9 | 0 | 0 | 0 | 113.2 | ||||
| 23 | C | 50.7 | Low | 53 | Low | 40 Ų | 40 | 89 Ų | 89 | 27% | 0.27 | 46% | 0.46 | S | S | . | . | trans | -105.7 | 102.7 | 158.6 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | C10 V25 | C10-C23 WeakPolarHBondContact CA-SG 3.4Å; C10-C23 HydrophobicContact CB-CB 3.26Å; C10-C23 WeakPolarHBondContact CB-SG 3.33Å; C10-C23 PolarHBondContact O-SG 3.05Å; C10-C23 WeakPolarHBondContact SG-CB 3.39Å; C10-C23 CovalentContact SG-SG 2.02Å; C10-C23 PolarHBondContact SG-SG 2.9Å; C23-V25 HydrophobicContact CB-CG2 4.13Å | ||
| 24 | F | 51.4 | Low | 52.3 | Low | 162 Ų | 162 | 90.2 Ų | 90.2 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | trans | -95.1 | 113.5 | 172.8 | -140.5 | -90 | 0 | 0 | 0 | 109.7 | H26 I28 | F24-H26 HydrophobicContact CD1-CB 4.25Å; F24-H26 HydrophobicContact CE1-CB 4.44Å; F24-H26 PolarHBondContact O-N 3.45Å; F24-I28 WeakPolarHBondContact O-CG2 3.17Å | ||
| 25 | V | 51.8 | Low | 51.5 | Low | 41 Ų | 41 | 91.3 Ų | 91.3 | 25% | 0.248 | 50% | 0.498 | C | S | . | . | trans | -108.3 | 57.8 | -167.8 | -145.2 | 0 | 0 | 0 | 0 | 113.5 | S6 C10 C23 I28 | S6-V25 WeakPolarHBondContact O-CG1 3.4Å; C10-V25 HydrophobicContact CB-CG2 4.03Å; C23-V25 HydrophobicContact CB-CG2 4.13Å; V25-I28 HydrophobicContact CB-CD1 4.46Å; V25-I28 HydrophobicContact CB-CG1 4.36Å; V25-I28 HydrophobicContact CB-CG2 4.4Å; V25-I28 HydrophobicContact CG1-CB 4.08Å; V25-I28 HydrophobicContact CG1-CD1 3.06Å; V25-I28 HydrophobicContact CG1-CG1 3.29Å; V25-I28 HydrophobicContact CG1-CG2 3.63Å | ||
| 26 | H | 49.8 | Very low | 50.3 | Low | 142 Ų | 142 | 89.3 Ų | 89.3 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -112.5 | 102 | 168.2 | -122.2 | -139 | 0 | 0 | 0 | 106.3 | F24 I28 | F24-H26 HydrophobicContact CD1-CB 4.25Å; F24-H26 HydrophobicContact CE1-CB 4.44Å; F24-H26 PolarHBondContact O-N 3.45Å; H26-I28 VanDerWaalsContact O-CA 3.25Å; H26-I28 WeakPolarHBondContact O-CA 3.27Å; H26-I28 PolarHBondContact O-N 3.05Å |
| 27 | Y | 49 | Very low | 49 | Very low | 155 Ų | 155 | 87.8 Ų | 87.8 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 56.6 | 164.6 | -70.5 | -96.1 | 0 | 0 | 0 | 116.9 | R44 | Y27-R44 VanDerWaalsContact C-CB 3.44Å; Y27-R44 VanDerWaalsContact C-CG 3.5Å; Y27-R44 HydrophobicContact CD1-CB 4.02Å; Y27-R44 HydrophobicContact CG-CB 4.39Å; Y27-R44 VanDerWaalsContact O-CA 3.27Å; Y27-R44 WeakPolarHBondContact O-CA 3.25Å; Y27-R44 WeakPolarHBondContact O-CB 2.92Å; Y27-R44 PolarHBondContact O-N 2.98Å |
| 28 | I | 51.1 | Low | 48.1 | Very low | 6 Ų | 6 | 92.4 Ų | 92.4 | 3% | 0.031 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | -116.4 | 88.4 | -80.7 | -59.8 | 160.6 | 0 | 0 | 0 | 107.5 | A9 F24 V25 H26 C30 C42 | A9-I28 HydrophobicContact CB-CD1 4.15Å; F24-I28 WeakPolarHBondContact O-CG2 3.17Å; V25-I28 HydrophobicContact CB-CD1 4.46Å; V25-I28 HydrophobicContact CB-CG1 4.36Å; V25-I28 HydrophobicContact CB-CG2 4.4Å; V25-I28 HydrophobicContact CG1-CB 4.08Å; V25-I28 HydrophobicContact CG1-CD1 3.06Å; V25-I28 HydrophobicContact CG1-CG1 3.29Å; V25-I28 HydrophobicContact CG1-CG2 3.63Å; H26-I28 VanDerWaalsContact O-CA 3.25Å; H26-I28 WeakPolarHBondContact O-CA 3.27Å; H26-I28 PolarHBondContact O-N 3.05Å; I28-C30 PolarHBondContact O-N 2.77Å; I28-C30 VanDerWaalsContact O-N 3.11Å; I28-C42 CarbonylContact C-O 3.12Å; I28-C42 CarbonylContact O-C 3.57Å; I28-C42 WeakPolarHBondContact O-CB 3.32Å; I28-C42 PolarHBondContact O-SG 2.89Å | |
| 29 | W | 46.1 | Very low | 47.4 | Very low | 143 Ų | 143 | 92.9 Ų | 92.9 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | trans | -74.7 | 97.4 | 178.8 | -106.5 | -17.9 | 0 | 0 | 0 | 112.5 | H31 F41 C42 | W29-H31 PolarHBondContact O-N 3.27Å; W29-H31 VanDerWaalsContact O-N 3.12Å; W29-F41 AromaticContact CD2-CD1 3.7Å; W29-F41 HydrophobicContact CD2-CD1 3.7Å; W29-F41 HydrophobicContact CD2-CE1 4.49Å; W29-F41 AromaticContact CE2-CD1 3.28Å; W29-F41 AromaticContact CE2-CG 3.87Å; W29-F41 AromaticContact CE3-CD1 3.78Å; W29-F41 HydrophobicContact CE3-CD1 3.78Å; W29-F41 HydrophobicContact CE3-CE1 4.13Å; W29-F41 AromaticContact CH2-CD1 3.22Å; W29-F41 HydrophobicContact CH2-CD1 3.22Å; W29-F41 AromaticContact CH2-CE1 3.41Å; W29-F41 HydrophobicContact CH2-CE1 3.41Å; W29-F41 VanDerWaalsContact CH2-CE1 3.41Å; W29-F41 HydrophobicContact CH2-CG 4.18Å; W29-F41 HydrophobicContact CZ2-CB 3.73Å; W29-F41 AromaticContact CZ2-CD1 3.1Å; W29-F41 HydrophobicContact CZ2-CD1 3.1Å; W29-F41 AromaticContact CZ2-CE1 3.82Å; W29-F41 HydrophobicContact CZ2-CE1 3.82Å; W29-F41 AromaticContact CZ2-CG 3.7Å; W29-F41 HydrophobicContact CZ2-CG 3.7Å; W29-F41 AromaticContact CZ3-CD1 3.55Å; W29-F41 HydrophobicContact CZ3-CD1 3.55Å; W29-F41 AromaticContact CZ3-CE1 3.57Å; W29-F41 HydrophobicContact CZ3-CE1 3.57Å; W29-F41 AromaticContact NE1-CD1 3.77Å; W29-F41 AromaticContact NE1-CG 3.97Å; W29-F41 PolarHBondContact NE1-O 3.25Å; W29-F41 VanDerWaalsContact NE1-O 3.08Å; W29-C42 WeakPolarHBondContact CA-O 3.15Å; W29-C42 PolarHBondContact N-O 2.97Å; W29-C42 VanDerWaalsContact N-O 3.11Å | ||
| 30 | C | 47.6 | Very low | 46.9 | Very low | 26 Ų | 26 | 94.2 Ų | 94.2 | 18% | 0.176 | 51% | 0.509 | C | S | . | . | trans | -76.3 | 80.7 | 170.8 | -93.3 | 0 | 0 | 0 | 0 | 111.5 | C13 I28 C32 L40 C42 | C13-C30 WeakPolarHBondContact CB-SG 3.05Å; C13-C30 WeakPolarHBondContact SG-CB 3.42Å; C13-C30 CovalentContact SG-SG 2.09Å; C13-C30 PolarHBondContact SG-SG 3.12Å; I28-C30 PolarHBondContact O-N 2.77Å; I28-C30 VanDerWaalsContact O-N 3.11Å; C30-C32 PolarHBondContact O-N 3.45Å; C30-L40 CarbonylContact C-O 2.89Å; C30-L40 CarbonylContact O-C 2.94Å; C30-L40 WeakPolarHBondContact O-CB 3.18Å; C30-C42 HydrophobicContact CB-CB 4.48Å | ||
| 31 | H | 47 | Very low | 46.4 | Very low | 89 Ų | 89 | 95.2 Ų | 95.2 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | trans | -81.7 | 100.2 | 178 | -127.5 | -111.7 | 0 | 0 | 0 | 111.8 | W29 Q33 V39 L40 F41 | W29-H31 PolarHBondContact O-N 3.27Å; W29-H31 VanDerWaalsContact O-N 3.12Å; H31-Q33 PolarHBondContact O-N 3.08Å; H31-V39 WeakPolarHBondContact CE1-CG1 3.15Å; H31-V39 WeakPolarHBondContact NE2-CG1 3.12Å; H31-L40 WeakPolarHBondContact CA-O 3.01Å; H31-L40 PolarHBondContact N-O 3.11Å; H31-F41 AromaticContact CD2-CD1 3.76Å; H31-F41 AromaticContact CD2-CE1 4Å; H31-F41 AromaticContact NE2-CD1 3.33Å; H31-F41 VanDerWaalsContact NE2-CD1 3.33Å; H31-F41 WeakPolarHBondContact NE2-CD1 3.13Å; H31-F41 AromaticContact NE2-CE1 3.13Å; H31-F41 WeakPolarHBondContact NE2-CE1 3.33Å; H31-F41 AromaticContact NE2-CZ 3.63Å | ||
| 32 | C | 45.2 | Very low | 46 | Very low | 26 Ų | 26 | 90.3 Ų | 90.3 | 18% | 0.176 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 96.6 | 170.9 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | C30 P34 R38 V39 L40 | C30-C32 PolarHBondContact O-N 3.45Å; C32-P34 WeakPolarHBondContact O-CD 3.2Å; C32-R38 CarbonylContact O-C 3.44Å; C32-V39 PolarHBondContact O-N 3.05Å; C32-L40 HydrophobicContact CB-CD1 4.38Å |
| 33 | Q | 46 | Very low | 45.5 | Very low | 145 Ų | 145 | 85.3 Ų | 85.3 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | trans | -94.1 | 106.5 | 166.6 | -138.8 | 174 | 5.7 | 0 | 0 | 106.7 | H31 | H31-Q33 PolarHBondContact O-N 3.08Š| ||
| 34 | P | 45.6 | Very low | 45 | Very low | 45 Ų | 45 | 88 Ų | 88 | 29% | 0.292 | 48% | 0.477 | S | S | . | . | trans | -52.6 | 152.3 | 147.3 | 1.3 | 14.6 | 0 | 0 | 0 | 104.8 | C32 G36 G37 R38 | C32-P34 WeakPolarHBondContact O-CD 3.2Å; P34-G36 VanDerWaalsContact CB-N 3.33Å; P34-G36 CarbonylContact O-C 2.64Å; P34-G36 WeakPolarHBondContact O-CA 3.45Å; P34-G37 VanDerWaalsContact CB-N 3.29Å; P34-G37 VanDerWaalsContact CD-N 3.27Å; P34-G37 PolarHBondContact O-N 3.47Å; P34-G37 VanDerWaalsContact O-N 3.12Å; P34-R38 HydrophobicContact CG-CB 4.19Å; P34-R38 HydrophobicContact CG-CG 4.17Å | ||
| 35 | G | 45.4 | Very low | 44.4 | Very low | 99 Ų | 99 | 91.5 Ų | 91.5 | 100% | 1.021 | 49% | 0.485 | S | S | * | . | S | Bend | cis | 49.4 | 11.4 | 43.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 36 | G | 40.7 | Very low | 43.4 | Very low | 65 Ų | 65 | 95.6 Ų | 95.6 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | S | Bend | cis | -129.4 | -6.6 | 30.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | P34 | P34-G36 VanDerWaalsContact CB-N 3.33Å; P34-G36 CarbonylContact O-C 2.64Å; P34-G36 WeakPolarHBondContact O-CA 3.45Å |
| 37 | G | 34.7 | Very low | 42.7 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 52% | 0.515 | 52% | 0.518 | S | S | . | . | trans | -173.7 | 118 | -175.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | P34 | P34-G37 VanDerWaalsContact CB-N 3.29Å; P34-G37 VanDerWaalsContact CD-N 3.27Å; P34-G37 PolarHBondContact O-N 3.47Å; P34-G37 VanDerWaalsContact O-N 3.12Å | ||
| 38 | R | 40.5 | Very low | 41.8 | Very low | 193 Ų | 193 | 95.5 Ų | 95.5 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -163.2 | 58.3 | 159.6 | -66.6 | -157.4 | -150.1 | -154.2 | 8 | 109.9 | C32 P34 L40 | C32-R38 CarbonylContact O-C 3.44Å; P34-R38 HydrophobicContact CG-CB 4.19Å; P34-R38 HydrophobicContact CG-CG 4.17Å; R38-L40 PolarHBondContact O-N 3.36Å |
| 39 | V | 41.6 | Very low | 40.9 | Very low | 62 Ų | 62 | 104.8 Ų | 104.8 | 38% | 0.376 | 57% | 0.572 | S | S | . | * | trans | -45 | 111.6 | 173.9 | 166.2 | 0 | 0 | 0 | 0 | 110.4 | H31 C32 F41 | H31-V39 WeakPolarHBondContact CE1-CG1 3.15Å; H31-V39 WeakPolarHBondContact NE2-CG1 3.12Å; C32-V39 PolarHBondContact O-N 3.05Å; V39-F41 HydrophobicContact CG1-CD1 4.25Å; V39-F41 HydrophobicContact CG1-CD2 3.39Å; V39-F41 HydrophobicContact CG1-CE1 4.17Å; V39-F41 HydrophobicContact CG1-CE2 3.21Å; V39-F41 HydrophobicContact CG1-CG 3.95Å; V39-F41 HydrophobicContact CG1-CZ 3.66Å | ||
| 40 | L | 43.9 | Very low | 40.2 | Very low | 66 Ų | 66 | 111.6 Ų | 111.6 | 35% | 0.346 | 61% | 0.606 | S | S | . | * | trans | -103.8 | 106.2 | 173.4 | -91.4 | 153.5 | 0 | 0 | 0 | 108.2 | F17 C30 H31 C32 R38 C42 | F17-L40 HydrophobicContact CD1-CD1 3.97Å; F17-L40 HydrophobicContact CD2-CD1 4.49Å; F17-L40 HydrophobicContact CE1-CD1 3.47Å; F17-L40 VanDerWaalsContact CE1-CD1 3.47Å; F17-L40 HydrophobicContact CE2-CD1 4.06Å; F17-L40 HydrophobicContact CG-CD1 4.46Å; F17-L40 HydrophobicContact CZ-CD1 3.52Å; C30-L40 CarbonylContact C-O 2.89Å; C30-L40 CarbonylContact O-C 2.94Å; C30-L40 WeakPolarHBondContact O-CB 3.18Å; H31-L40 WeakPolarHBondContact CA-O 3.01Å; H31-L40 PolarHBondContact N-O 3.11Å; C32-L40 HydrophobicContact CB-CD1 4.38Å; R38-L40 PolarHBondContact O-N 3.36Å; L40-C42 PolarHBondContact O-N 3.33Å | ||
| 41 | F | 44 | Very low | 39.8 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 55% | 0.548 | 63% | 0.627 | S | S | . | * | trans | -88.2 | 73.3 | 174.3 | -73.6 | -67.1 | 0 | 0 | 0 | 110.6 | W29 H31 V39 G43 | W29-F41 AromaticContact CD2-CD1 3.7Å; W29-F41 HydrophobicContact CD2-CD1 3.7Å; W29-F41 HydrophobicContact CD2-CE1 4.49Å; W29-F41 AromaticContact CE2-CD1 3.28Å; W29-F41 AromaticContact CE2-CG 3.87Å; W29-F41 AromaticContact CE3-CD1 3.78Å; W29-F41 HydrophobicContact CE3-CD1 3.78Å; W29-F41 HydrophobicContact CE3-CE1 4.13Å; W29-F41 AromaticContact CH2-CD1 3.22Å; W29-F41 HydrophobicContact CH2-CD1 3.22Å; W29-F41 AromaticContact CH2-CE1 3.41Å; W29-F41 HydrophobicContact CH2-CE1 3.41Å; W29-F41 VanDerWaalsContact CH2-CE1 3.41Å; W29-F41 HydrophobicContact CH2-CG 4.18Å; W29-F41 HydrophobicContact CZ2-CB 3.73Å; W29-F41 AromaticContact CZ2-CD1 3.1Å; W29-F41 HydrophobicContact CZ2-CD1 3.1Å; W29-F41 AromaticContact CZ2-CE1 3.82Å; W29-F41 HydrophobicContact CZ2-CE1 3.82Å; W29-F41 AromaticContact CZ2-CG 3.7Å; W29-F41 HydrophobicContact CZ2-CG 3.7Å; W29-F41 AromaticContact CZ3-CD1 3.55Å; W29-F41 HydrophobicContact CZ3-CD1 3.55Å; W29-F41 AromaticContact CZ3-CE1 3.57Å; W29-F41 HydrophobicContact CZ3-CE1 3.57Å; W29-F41 AromaticContact NE1-CD1 3.77Å; W29-F41 AromaticContact NE1-CG 3.97Å; W29-F41 PolarHBondContact NE1-O 3.25Å; W29-F41 VanDerWaalsContact NE1-O 3.08Å; H31-F41 AromaticContact CD2-CD1 3.76Å; H31-F41 AromaticContact CD2-CE1 4Å; H31-F41 AromaticContact NE2-CD1 3.33Å; H31-F41 VanDerWaalsContact NE2-CD1 3.33Å; H31-F41 WeakPolarHBondContact NE2-CD1 3.13Å; H31-F41 AromaticContact NE2-CE1 3.13Å; H31-F41 WeakPolarHBondContact NE2-CE1 3.33Å; H31-F41 AromaticContact NE2-CZ 3.63Å; V39-F41 HydrophobicContact CG1-CD1 4.25Å; V39-F41 HydrophobicContact CG1-CD2 3.39Å; V39-F41 HydrophobicContact CG1-CE1 4.17Å; V39-F41 HydrophobicContact CG1-CE2 3.21Å; V39-F41 HydrophobicContact CG1-CG 3.95Å; V39-F41 HydrophobicContact CG1-CZ 3.66Å; F41-G43 PolarHBondContact O-N 3.12Å | ||
| 42 | C | 42.4 | Very low | 39.5 | Very low | 65 Ų | 65 | 117.3 Ų | 117.3 | 44% | 0.439 | 64% | 0.639 | S | S | . | * | trans | -66.3 | 73.3 | 157.2 | -170.2 | 0 | 0 | 0 | 0 | 117.4 | I28 W29 C30 L40 | I28-C42 CarbonylContact C-O 3.12Å; I28-C42 CarbonylContact O-C 3.57Å; I28-C42 WeakPolarHBondContact O-CB 3.32Å; I28-C42 PolarHBondContact O-SG 2.89Å; W29-C42 WeakPolarHBondContact CA-O 3.15Å; W29-C42 PolarHBondContact N-O 2.97Å; W29-C42 VanDerWaalsContact N-O 3.11Å; C30-C42 HydrophobicContact CB-CB 4.48Å; L40-C42 PolarHBondContact O-N 3.33Å | ||
| 43 | G | 41.6 | Very low | 39.1 | Very low | 46 Ų | 46 | 122.3 Ų | 122.3 | 47% | 0.474 | 66% | 0.664 | S | S | . | * | trans | -85.8 | 125.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F41 | F41-G43 PolarHBondContact O-N 3.12Š| ||
| 44 | R | 39.6 | Very low | 38.7 | Very low | 97 Ų | 97 | 121 Ų | 121 | 37% | 0.366 | 66% | 0.663 | S | S | . | * | trans | -107.9 | 74.8 | 153.6 | -47.6 | -172.6 | -153.1 | 179.7 | -6.8 | 108.5 | Y27 | Y27-R44 VanDerWaalsContact C-CB 3.44Å; Y27-R44 VanDerWaalsContact C-CG 3.5Å; Y27-R44 HydrophobicContact CD1-CB 4.02Å; Y27-R44 HydrophobicContact CG-CB 4.39Å; Y27-R44 VanDerWaalsContact O-CA 3.27Å; Y27-R44 WeakPolarHBondContact O-CA 3.25Å; Y27-R44 WeakPolarHBondContact O-CB 2.92Å; Y27-R44 PolarHBondContact O-N 2.98Å | ||
| 45 | R | 38.5 | Very low | 38.3 | Very low | 235 Ų | 235 | 125.8 Ų | 125.8 | 89% | 0.887 | 69% | 0.687 | S | S | * | * | trans | -96.1 | 97.3 | 167.8 | -138.2 | -170.6 | -163 | -159.7 | 4.1 | 108.3 | ||||
| 46 | C | 30.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 86% | 0.858 | 66% | 0.664 | S | S | * | * | trans | -133.2 | 83.7 | 156.4 | -70.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 47 | S | 35.4 | Very low | 37.6 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -166.4 | 117.4 | 160.3 | -78.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 48 | E | 30.3 | Very low | 37.9 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | trans | -66.8 | 128.5 | -174.5 | -69.6 | 157.2 | 68.4 | 0 | 0 | 112.5 | ||||
| 49 | F | 31.5 | Very low | 37.6 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 89% | 0.886 | 67% | 0.671 | S | S | * | * | trans | -148.8 | 88.6 | 158 | -86 | -82.7 | 0 | 0 | 0 | 108 | ||||
| 50 | F | 32 | Very low | 37.3 | Very low | 285 Ų | 285 | 140.3 Ų | 140.3 | 100% | 1.25 | 70% | 0.698 | S | S | * | * | trans | 64.1 | 0 | 178.3 | -90.6 | -92.6 | 0 | 0 | 0 | 118.6 |
Retrieved 50 of 50 residues in 161.3 ms
(Link to these results)