| 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 | S | 47.5 | Very low | 44.9 | Very low | 143 Ų | 143 | 103.6 Ų | 103.6 | 100% | 1 | 59% | 0.59 | S | S | * | * | 0 | -9.1 | 0 | -65.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 2 | G | 43.3 | Very low | 45.1 | Very low | 59 Ų | 59 | 103.6 Ų | 103.6 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.1 | -29.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 3 | T | 41.3 | Very low | 45.2 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 66% | 0.663 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.5 | -35.8 | -172.7 | -17.6 | 0 | 0 | 0 | 0 | 113 | N5 F6 V7 | T3-N5 PolarHBondContact O-N 3.39Å; T3-F6 PolarHBondContact O-N 3.07Å; T3-V7 WeakPolarHBondContact O-CG2 3.36Å; T3-V7 PolarHBondContact O-N 3Å |
| 4 | N | 39.1 | Very low | 45.3 | Very low | 116 Ų | 116 | 94 Ų | 94 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -36.4 | -177.6 | -63.5 | -17.1 | 0 | 0 | 0 | 111.9 | F6 I8 | N4-F6 VanDerWaalsContact C-N 3.33Å; N4-F6 PolarHBondContact O-N 3.36Å; N4-I8 VanDerWaalsContact O-CD1 3.3Å; N4-I8 WeakPolarHBondContact O-CD1 3.21Å; N4-I8 WeakPolarHBondContact O-CG1 3.29Å; N4-I8 PolarHBondContact O-N 3.18Å; N4-I8 VanDerWaalsContact O-N 3.11Å |
| 5 | N | 44.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 92.3 Ų | 92.3 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.9 | -32.2 | 177.6 | -70.8 | -25.6 | 0 | 0 | 0 | 112.5 | T3 Q9 | T3-N5 PolarHBondContact O-N 3.39Å; N5-Q9 PolarHBondContact O-N 3Å |
| 6 | F | 40.7 | Very low | 45.7 | Very low | 90 Ų | 90 | 94 Ų | 94 | 40% | 0.395 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 177.9 | -165.5 | -90.1 | 0 | 0 | 0 | 111.8 | T3 N4 I8 Q9 F10 F92 L96 | T3-F6 PolarHBondContact O-N 3.07Å; N4-F6 VanDerWaalsContact C-N 3.33Å; N4-F6 PolarHBondContact O-N 3.36Å; F6-I8 VanDerWaalsContact C-N 3.33Å; F6-I8 PolarHBondContact O-N 2.61Å; F6-Q9 PolarHBondContact O-N 2.75Å; F6-F10 VanDerWaalsContact O-CB 3.31Å; F6-F10 WeakPolarHBondContact O-CB 3.21Å; F6-F10 PolarHBondContact O-N 3.35Å; F6-F92 HydrophobicContact CD2-CE2 4.26Å; F6-F92 HydrophobicContact CD2-CZ 4.15Å; F6-F92 HydrophobicContact CE1-CZ 4.48Å; F6-F92 AromaticContact CE2-CE2 3.51Å; F6-F92 HydrophobicContact CE2-CE2 3.51Å; F6-F92 AromaticContact CE2-CZ 3.3Å; F6-F92 HydrophobicContact CE2-CZ 3.3Å; F6-F92 HydrophobicContact CZ-CE1 4.41Å; F6-F92 HydrophobicContact CZ-CE2 4.16Å; F6-F92 AromaticContact CZ-CZ 3.52Å; F6-F92 HydrophobicContact CZ-CZ 3.52Å; F6-L96 HydrophobicContact CE2-CD1 4.29Å; F6-L96 HydrophobicContact CE2-CD2 3.87Å; F6-L96 HydrophobicContact CZ-CD1 3.68Å; F6-L96 HydrophobicContact CZ-CD2 3.62Å; F6-L96 HydrophobicContact CZ-CG 4.22Å |
| 7 | V | 46.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 91 Ų | 91 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 175.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | T3 F10 N11 | T3-V7 WeakPolarHBondContact O-CG2 3.36Å; T3-V7 PolarHBondContact O-N 3Å; V7-F10 PolarHBondContact O-N 3.19Å; V7-N11 WeakPolarHBondContact O-CB 2.76Å; V7-N11 PolarHBondContact O-N 3.24Å |
| 8 | I | 48.4 | Very low | 45.7 | Very low | 104 Ų | 104 | 91.2 Ų | 91.2 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 179.1 | -66.6 | 164.7 | 0 | 0 | 0 | 111.4 | N4 F6 F10 N11 N12 | N4-I8 VanDerWaalsContact O-CD1 3.3Å; N4-I8 WeakPolarHBondContact O-CD1 3.21Å; N4-I8 WeakPolarHBondContact O-CG1 3.29Å; N4-I8 PolarHBondContact O-N 3.18Å; N4-I8 VanDerWaalsContact O-N 3.11Å; F6-I8 VanDerWaalsContact C-N 3.33Å; F6-I8 PolarHBondContact O-N 2.61Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.39Å; I8-N11 PolarHBondContact O-N 3.17Å; I8-N12 WeakPolarHBondContact O-CB 3.33Å; I8-N12 PolarHBondContact O-N 3.22Å |
| 9 | Q | 48 | Very low | 45.7 | Very low | 126 Ų | 126 | 88.9 Ų | 88.9 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 176.2 | -87.1 | -72.8 | 14 | 0 | 0 | 112.8 | N5 F6 S13 | N5-Q9 PolarHBondContact O-N 3Å; F6-Q9 PolarHBondContact O-N 2.75Å; Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 2.85Å; Q9-S13 PolarHBondContact O-OG 3.06Å |
| 10 | F | 45.7 | Very low | 45.9 | Very low | 94 Ų | 94 | 87 Ų | 87 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.2 | -168 | -101.8 | 0 | 0 | 0 | 111.5 | F6 V7 I8 N14 W93 | F6-F10 VanDerWaalsContact O-CB 3.31Å; F6-F10 WeakPolarHBondContact O-CB 3.21Å; F6-F10 PolarHBondContact O-N 3.35Å; V7-F10 PolarHBondContact O-N 3.19Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.39Å; F10-N14 WeakPolarHBondContact CD1-ND2 3.3Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.46Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.47Å; F10-N14 WeakPolarHBondContact O-CB 3.22Å; F10-N14 PolarHBondContact O-N 3.24Å; F10-N14 PolarHBondContact O-ND2 2.62Å; F10-W93 AromaticContact CE2-CH2 3.7Å; F10-W93 HydrophobicContact CE2-CH2 3.7Å; F10-W93 AromaticContact CE2-CZ2 3.87Å; F10-W93 HydrophobicContact CE2-CZ2 3.87Å; F10-W93 HydrophobicContact CZ-CH2 4.44Å |
| 11 | N | 48.8 | Very low | 45.8 | Very low | 103 Ų | 103 | 86.4 Ų | 86.4 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.8 | -40.4 | 179.9 | -147.7 | -5.1 | 0 | 0 | 0 | 111.4 | V7 I8 N14 T15 | V7-N11 WeakPolarHBondContact O-CB 2.76Å; V7-N11 PolarHBondContact O-N 3.24Å; I8-N11 PolarHBondContact O-N 3.17Å; N11-N14 PolarHBondContact O-N 3.45Å; N11-T15 WeakPolarHBondContact O-CG2 3.47Å; N11-T15 PolarHBondContact O-N 2.76Å; N11-T15 PolarHBondContact O-OG1 2.98Å |
| 12 | N | 48 | Very low | 45.5 | Very low | 103 Ų | 103 | 86.1 Ų | 86.1 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.4 | -34.6 | 178.6 | -125.9 | -16.7 | 0 | 0 | 0 | 113.4 | I8 T15 F16 | I8-N12 WeakPolarHBondContact O-CB 3.33Å; I8-N12 PolarHBondContact O-N 3.22Å; N12-T15 WeakPolarHBondContact CA-OG1 2.94Å; N12-T15 PolarHBondContact O-OG1 3.25Å; N12-F16 WeakPolarHBondContact O-CB 3.3Å; N12-F16 PolarHBondContact O-N 3.45Å; N12-F16 VanDerWaalsContact O-N 3.13Å |
| 13 | S | 46.1 | Very low | 45.3 | Very low | 19 Ų | 19 | 88.8 Ų | 88.8 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | Q9 L17 | Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 2.85Å; Q9-S13 PolarHBondContact O-OG 3.06Å; S13-L17 WeakPolarHBondContact O-CB 3.41Å; S13-L17 PolarHBondContact O-N 3.36Å |
| 14 | N | 46.4 | Very low | 45 | Very low | 54 Ų | 54 | 85.7 Ų | 85.7 | 29% | 0.289 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72 | -37.8 | 175.8 | -76.9 | -51.7 | 0 | 0 | 0 | 112.7 | F10 N11 F16 L17 L18 | F10-N14 WeakPolarHBondContact CD1-ND2 3.3Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.46Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.47Å; F10-N14 WeakPolarHBondContact O-CB 3.22Å; F10-N14 PolarHBondContact O-N 3.24Å; F10-N14 PolarHBondContact O-ND2 2.62Å; N11-N14 PolarHBondContact O-N 3.45Å; N14-F16 VanDerWaalsContact C-N 3.3Å; N14-F16 PolarHBondContact O-N 3.33Å; N14-L17 PolarHBondContact O-N 3.33Å; N14-L18 VanDerWaalsContact O-CB 3.23Å; N14-L18 WeakPolarHBondContact O-CB 3.12Å; N14-L18 WeakPolarHBondContact O-CG 3.18Å; N14-L18 PolarHBondContact O-N 3.38Å |
| 15 | T | 49.6 | Very low | 44.9 | Very low | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | N11 N12 S19 | N11-T15 WeakPolarHBondContact O-CG2 3.47Å; N11-T15 PolarHBondContact O-N 2.76Å; N11-T15 PolarHBondContact O-OG1 2.98Å; N12-T15 WeakPolarHBondContact CA-OG1 2.94Å; N12-T15 PolarHBondContact O-OG1 3.25Å; T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 3.28Å; T15-S19 PolarHBondContact O-OG 3.41Å |
| 16 | F | 48.3 | Very low | 44.4 | Very low | 119 Ų | 119 | 86.5 Ų | 86.5 | 52% | 0.522 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 174.3 | -167.7 | -96.6 | 0 | 0 | 0 | 112.4 | N12 N14 L18 S19 V20 | N12-F16 WeakPolarHBondContact O-CB 3.3Å; N12-F16 PolarHBondContact O-N 3.45Å; N12-F16 VanDerWaalsContact O-N 3.13Å; N14-F16 VanDerWaalsContact C-N 3.3Å; N14-F16 PolarHBondContact O-N 3.33Å; F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 3.34Å; F16-S19 WeakPolarHBondContact CA-OG 3.26Å; F16-S19 PolarHBondContact O-N 2.83Å; F16-S19 PolarHBondContact O-OG 3.45Å; F16-V20 HydrophobicContact CD1-CG2 4.17Å; F16-V20 HydrophobicContact CE1-CG2 3.92Å; F16-V20 HydrophobicContact CZ-CG2 4.32Å; F16-V20 WeakPolarHBondContact O-CB 3.38Å; F16-V20 VanDerWaalsContact O-CG2 3.23Å; F16-V20 WeakPolarHBondContact O-CG2 3.14Å; F16-V20 PolarHBondContact O-N 3.05Å |
| 17 | L | 45 | Very low | 44 | Very low | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.4 | -96.2 | 160.6 | 0 | 0 | 0 | 111.8 | S13 N14 V20 L21 I153 L156 | S13-L17 WeakPolarHBondContact O-CB 3.41Å; S13-L17 PolarHBondContact O-N 3.36Å; N14-L17 PolarHBondContact O-N 3.33Å; L17-V20 PolarHBondContact O-N 3.48Å; L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.14Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 3.29Å; L17-I153 HydrophobicContact CD1-CD1 4.44Å; L17-I153 HydrophobicContact CD1-CG1 4.29Å; L17-L156 HydrophobicContact CD2-CD2 4.47Å |
| 18 | L | 45.2 | Very low | 43.5 | Very low | 94 Ų | 94 | 86.4 Ų | 86.4 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 176.4 | -74.4 | 172.8 | 0 | 0 | 0 | 112.3 | N14 F16 K22 | N14-L18 VanDerWaalsContact O-CB 3.23Å; N14-L18 WeakPolarHBondContact O-CB 3.12Å; N14-L18 WeakPolarHBondContact O-CG 3.18Å; N14-L18 PolarHBondContact O-N 3.38Å; F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 3.34Å; L18-K22 WeakPolarHBondContact O-CB 3.17Å; L18-K22 WeakPolarHBondContact O-CG 3.09Å; L18-K22 PolarHBondContact O-N 3.41Å |
| 19 | S | 47.1 | Very low | 42.7 | Very low | 49 Ų | 49 | 84.2 Ų | 84.2 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70 | -38.7 | 174.5 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | T15 F16 N23 | T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 3.28Å; T15-S19 PolarHBondContact O-OG 3.41Å; F16-S19 WeakPolarHBondContact CA-OG 3.26Å; F16-S19 PolarHBondContact O-N 2.83Å; F16-S19 PolarHBondContact O-OG 3.45Å; S19-N23 VanDerWaalsContact O-CB 3.31Å; S19-N23 WeakPolarHBondContact O-CB 3.21Å; S19-N23 VanDerWaalsContact O-CG 3.28Å; S19-N23 PolarHBondContact O-N 2.72Å |
| 20 | V | 49.1 | Very low | 42.1 | Very low | 49 Ų | 49 | 87 Ų | 87 | 30% | 0.297 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F16 L17 A24 F160 | F16-V20 HydrophobicContact CD1-CG2 4.17Å; F16-V20 HydrophobicContact CE1-CG2 3.92Å; F16-V20 HydrophobicContact CZ-CG2 4.32Å; F16-V20 WeakPolarHBondContact O-CB 3.38Å; F16-V20 VanDerWaalsContact O-CG2 3.23Å; F16-V20 WeakPolarHBondContact O-CG2 3.14Å; F16-V20 PolarHBondContact O-N 3.05Å; L17-V20 PolarHBondContact O-N 3.48Å; V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 3.3Å; V20-F160 HydrophobicContact CG1-CE2 4.46Å; V20-F160 HydrophobicContact CG1-CZ 4.38Å |
| 21 | L | 44 | Very low | 41.4 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 177.3 | -76.8 | 166.2 | 0 | 0 | 0 | 112.6 | L17 A24 T25 L156 | L17-L21 VanDerWaalsContact O-CB 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.14Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 3.29Å; L21-A24 CarbonylContact O-C 3.57Å; L21-A24 WeakPolarHBondContact O-CB 3.26Å; L21-A24 PolarHBondContact O-N 3.35Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.13Å; L21-L156 HydrophobicContact CD2-CD2 4.19Å |
| 22 | K | 41.2 | Very low | 40.7 | Very low | 138 Ų | 138 | 89.8 Ų | 89.8 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 174.4 | -80 | 176.6 | 179.4 | -173.8 | 0 | 111.3 | L18 A24 T25 Q26 | L18-K22 WeakPolarHBondContact O-CB 3.17Å; L18-K22 WeakPolarHBondContact O-CG 3.09Å; L18-K22 PolarHBondContact O-N 3.41Å; K22-A24 PolarHBondContact O-N 2.92Å; K22-T25 WeakPolarHBondContact CA-OG1 3.4Å; K22-T25 PolarHBondContact O-N 3.23Å; K22-T25 PolarHBondContact O-OG1 3.19Å; K22-Q26 WeakPolarHBondContact O-CB 3.24Å; K22-Q26 PolarHBondContact O-N 3.2Å |
| 23 | N | 38.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 96.9 Ų | 96.9 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -31.8 | 172.9 | -76.4 | -8.9 | 0 | 0 | 0 | 111.7 | S19 | S19-N23 VanDerWaalsContact O-CB 3.31Å; S19-N23 WeakPolarHBondContact O-CB 3.21Å; S19-N23 VanDerWaalsContact O-CG 3.28Å; S19-N23 PolarHBondContact O-N 2.72Å |
| 24 | A | 35.3 | Very low | 39 | Very low | 43 Ų | 43 | 103.6 Ų | 103.6 | 36% | 0.355 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75 | -33 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V20 L21 K22 F160 | V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 3.3Å; L21-A24 CarbonylContact O-C 3.57Å; L21-A24 WeakPolarHBondContact O-CB 3.26Å; L21-A24 PolarHBondContact O-N 3.35Å; K22-A24 PolarHBondContact O-N 2.92Å; A24-F160 HydrophobicContact CB-CZ 4.41Å |
| 25 | T | 36.3 | Very low | 38.1 | Very low | 88 Ų | 88 | 110 Ų | 110 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -82.7 | -32.3 | 178.5 | 25.5 | 0 | 0 | 0 | 0 | 113 | L21 K22 S27 S28 | L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.13Å; K22-T25 WeakPolarHBondContact CA-OG1 3.4Å; K22-T25 PolarHBondContact O-N 3.23Å; K22-T25 PolarHBondContact O-OG1 3.19Å; T25-S27 PolarHBondContact O-N 2.68Å; T25-S28 PolarHBondContact O-N 3.39Å; T25-S28 PolarHBondContact O-OG 3.34Å |
| 26 | Q | 33.9 | Very low | 37 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.4 | -24.7 | 173.3 | -155.5 | 169.8 | 9.5 | 0 | 0 | 111.9 | K22 S28 | K22-Q26 WeakPolarHBondContact O-CB 3.24Å; K22-Q26 PolarHBondContact O-N 3.2Å; Q26-S28 VanDerWaalsContact C-N 3.25Å; Q26-S28 PolarHBondContact O-N 2.83Å |
| 27 | S | 33.1 | Very low | 36 | Very low | 81 Ų | 81 | 118 Ų | 118 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -8.8 | 170.3 | 177.5 | 0 | 0 | 0 | 0 | 114.3 | T25 | T25-S27 PolarHBondContact O-N 2.68Š|
| 28 | S | 34.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -0.5 | -174.8 | 66.7 | 0 | 0 | 0 | 0 | 114.7 | T25 Q26 | T25-S28 PolarHBondContact O-N 3.39Å; T25-S28 PolarHBondContact O-OG 3.34Å; Q26-S28 VanDerWaalsContact C-N 3.25Å; Q26-S28 PolarHBondContact O-N 2.83Å |
| 29 | G | 31.9 | Very low | 34.2 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | trans | -130.9 | 41.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 30 | E | 36.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -139.3 | 80.4 | 164.2 | -72.8 | -160.5 | 150.4 | 0 | 0 | 110.8 | ||||
| 31 | S | 30.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -164.2 | 76.5 | 155.3 | -90.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 32 | T | 34.8 | Very low | 31.6 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -136.4 | 80.9 | 151.4 | -43.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 33 | R | 28.1 | Very low | 31.1 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.955 | 74% | 0.739 | S | S | * | * | trans | -128.3 | 113.2 | 155.8 | -76.7 | -156.6 | 163.5 | -159.4 | -4.1 | 109.4 | ||||
| 34 | L | 28.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -58.3 | 144.7 | 177.3 | -79.4 | 151.9 | 0 | 0 | 0 | 111.4 | ||||
| 35 | F | 29.5 | Very low | 30.6 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -41.1 | 136.3 | 154.8 | -80.1 | -102.3 | 0 | 0 | 0 | 112.4 | ||||
| 36 | T | 25 | Very low | 30.4 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | -154.1 | 135.3 | 136.9 | 22.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 37 | W | 27.2 | Very low | 30.8 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -92.7 | 175.7 | -172.5 | -134.4 | 75.5 | 0 | 0 | 0 | 110.5 | ||||
| 38 | F | 25.8 | Very low | 31.2 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 84.5 | 134.1 | 175.7 | -63.9 | -83.5 | 0 | 0 | 0 | 116 | ||||
| 39 | G | 26.3 | Very low | 31.2 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 164.9 | 155.3 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 40 | L | 29.2 | Very low | 31 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | 75 | 123.8 | 156 | -91.2 | 84.8 | 0 | 0 | 0 | 123 | ||||
| 41 | N | 27.8 | Very low | 30.7 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 100 | 133.4 | 131.4 | -64.9 | -18.7 | 0 | 0 | 0 | 122.4 | ||||
| 42 | G | 28.9 | Very low | 30.9 | Very low | 68 Ų | 68 | 150.2 Ų | 150.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 124.7 | 82.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 43 | E | 31.1 | Very low | 31 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | 60.3 | 136.6 | 105.1 | -74.4 | -155 | 132 | 0 | 0 | 114.2 | |||||
| 44 | I | 31.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | 171.5 | 167.2 | 11.8 | -106 | 177.8 | 0 | 0 | 0 | 103.9 | ||||
| 45 | L | 31.6 | Very low | 31.5 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 95.3 | 96.7 | 164.2 | -75.8 | 146.4 | 0 | 0 | 0 | 119.9 | ||||
| 46 | T | 33.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -48.2 | 161.7 | 138.2 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 47 | P | 42.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -150.2 | 178.8 | 43.8 | 37.7 | -13.3 | 0 | 0 | 0 | 118.7 | ||||
| 48 | T | 41.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -41.2 | 136.6 | 175.1 | 47.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 49 | A | 32.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | trans | -140.1 | 150.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 50 | R | 28.8 | Very low | 32.4 | Very low | 222 Ų | 222 | 139.5 Ų | 139.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -104.6 | 151.4 | -152.5 | -147 | -171.3 | -176.4 | 157.4 | -2.2 | 110.5 | ||||
| 51 | Q | 30.2 | Very low | 32.7 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 73.3 | 132.8 | 152.9 | -48.5 | -152.7 | -26.4 | 0 | 0 | 119.8 | ||||
| 52 | V | 33.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | 172.6 | 108.2 | 89.9 | 166.9 | 0 | 0 | 0 | 0 | 106.9 | A54 | V52-A54 HydrophobicContact CG1-CB 3.85Å; V52-A54 PolarHBondContact O-N 2.81Å | |||
| 53 | A | 37.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 93% | 0.934 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 102.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 54 | A | 34.8 | Very low | 33 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | trans | -153.8 | 119.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V52 | V52-A54 HydrophobicContact CG1-CB 3.85Å; V52-A54 PolarHBondContact O-N 2.81Å | ||
| 55 | R | 32.2 | Very low | 33.2 | Very low | 224 Ų | 224 | 136.4 Ų | 136.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 169.9 | 103.4 | 137.3 | -89.3 | 154.4 | -161.4 | -91.5 | 2.9 | 108.6 | ||||
| 56 | R | 33.9 | Very low | 33.3 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 67.8 | 99.6 | 97.6 | -95.4 | -177.9 | 173.4 | 155.7 | -0.6 | 111.9 | |||||
| 57 | G | 35.2 | Very low | 33.4 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -61.6 | 137.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 58 | Y | 31.5 | Very low | 33.4 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -135.4 | 107 | 154.3 | -81.6 | -74.3 | 0 | 0 | 0 | 107.4 | ||||
| 59 | C | 27.6 | Very low | 33.2 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 91% | 0.905 | 74% | 0.738 | S | S | * | * | trans | -88.9 | 124.1 | 149.9 | -65.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 60 | S | 25.8 | Very low | 33.6 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | 175.8 | 125.8 | 124.4 | -157.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 61 | S | 35.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | 14.4 | 112 | 143.7 | -164.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 62 | T | 27.4 | Very low | 34.8 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | trans | -146.3 | 101.6 | 135.8 | 33.2 | 0 | 0 | 0 | 0 | 107.7 | P64 | T62-P64 VanDerWaalsContact O-CD 3.22Å; T62-P64 WeakPolarHBondContact O-CD 3.45Å | ||
| 63 | Q | 32 | Very low | 35.1 | Very low | 178 Ų | 178 | 120 Ų | 120 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -61.9 | 124 | 168.4 | -74.6 | -141.9 | -17 | 0 | 0 | 110.3 | A65 | Q63-A65 PolarHBondContact O-N 3.49Š| ||
| 64 | P | 33.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | trans | -85.6 | 104.9 | 167.7 | -4.8 | 24.4 | 0 | 0 | 0 | 108.8 | T62 K66 K172 | T62-P64 VanDerWaalsContact O-CD 3.22Å; T62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-K66 PolarHBondContact O-N 2.82Å; P64-K172 WeakPolarHBondContact O-CD 3.36Å; P64-K172 WeakPolarHBondContact O-CE 3.41Å; P64-K172 PolarHBondContact O-NZ 3.49Å | ||
| 65 | A | 35.8 | Very low | 36.2 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | trans | -84.7 | 50.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q63 | Q63-A65 PolarHBondContact O-N 3.49Š| ||
| 66 | K | 34.1 | Very low | 37.2 | Very low | 170 Ų | 170 | 112 Ų | 112 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -150.5 | 96.6 | -177.7 | -71.3 | -167.6 | 177.1 | -179.2 | 0 | 114.6 | P64 V68 K172 | P64-K66 PolarHBondContact O-N 2.82Å; K66-V68 WeakPolarHBondContact O-CG2 3.37Å; K66-V68 PolarHBondContact O-N 3.47Å; K66-K172 WeakPolarHBondContact O-CD 3.33Å; K66-K172 WeakPolarHBondContact O-CE 3.47Å; K66-K172 PolarHBondContact O-NZ 2.98Å |
| 67 | D | 34.5 | Very low | 38.3 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | trans | -41.8 | 113.6 | -179.9 | -73.9 | -44.8 | 0 | 0 | 0 | 111.9 | K172 | D67-K172 VanDerWaalsContact OD1-CB 3.29Å; D67-K172 WeakPolarHBondContact OD1-CB 3.2Å; D67-K172 PolarHBondContact OD1-N 3.42Å | ||
| 68 | V | 42.7 | Very low | 39.7 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | trans | -101.1 | 100.7 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | K66 L70 | K66-V68 WeakPolarHBondContact O-CG2 3.37Å; K66-V68 PolarHBondContact O-N 3.47Å; V68-L70 HydrophobicContact CG1-CB 4.47Å; V68-L70 HydrophobicContact CG1-CD1 4.06Å; V68-L70 PolarHBondContact O-N 3.2Å | ||
| 69 | T | 37.2 | Very low | 41.4 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | trans | -62 | 85.6 | 166.7 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | F71 | T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 2.98Å | ||
| 70 | L | 42.3 | Very low | 43.4 | Very low | 99 Ų | 99 | 108.9 Ų | 108.9 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | trans | -80.5 | -4.1 | -168.1 | -154.1 | 123.2 | 0 | 0 | 0 | 114.2 | V68 F238 | V68-L70 HydrophobicContact CG1-CB 4.47Å; V68-L70 HydrophobicContact CG1-CD1 4.06Å; V68-L70 PolarHBondContact O-N 3.2Å; L70-F238 HydrophobicContact CD1-CD2 4.31Å; L70-F238 HydrophobicContact CD1-CE2 4.5Å; L70-F238 HydrophobicContact CD2-CD2 4.01Å; L70-F238 HydrophobicContact CD2-CE2 3.69Å | ||
| 71 | F | 41.5 | Very low | 45.7 | Very low | 102 Ų | 102 | 108.4 Ų | 108.4 | 45% | 0.447 | 56% | 0.555 | S | S | . | * | trans | -157.2 | 88.6 | 164.3 | -134.1 | -96.2 | 0 | 0 | 0 | 110.9 | T69 H73 K167 | T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 2.98Å; F71-H73 HydrophobicContact CD1-CB 4.2Å; F71-H73 HydrophobicContact CE1-CB 4.18Å; F71-K167 WeakPolarHBondContact O-CG 3.44Å | ||
| 72 | E | 41.4 | Very low | 47.5 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | trans | -98.5 | 80.4 | 169.3 | -178.1 | 138.5 | -168.6 | 0 | 0 | 108.7 | D74 K167 | E72-D74 VanDerWaalsContact C-N 3.32Å; E72-D74 HydrophobicContact CG-CB 4.42Å; E72-D74 PolarHBondContact O-N 3.34Å; E72-K167 HydrophobicContact CG-CD 4.5Å; E72-K167 VanDerWaalsContact CG-CE 3.46Å; E72-K167 IonicContact OE1-NZ 2.62Å; E72-K167 PolarHBondContact OE1-NZ 3.07Å; E72-K167 WeakPolarHBondContact OE2-CE 3.31Å; E72-K167 IonicContact OE2-NZ 2.76Å; E72-K167 PolarHBondContact OE2-NZ 3.45Å | ||
| 73 | H | 40.2 | Very low | 49.9 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 31% | 0.31 | 52% | 0.517 | S | S | . | . | trans | -88.9 | 81.8 | 168.2 | -161.2 | 53.8 | 0 | 0 | 0 | 109 | F71 R75 S166 D229 | F71-H73 HydrophobicContact CD1-CB 4.2Å; F71-H73 HydrophobicContact CE1-CB 4.18Å; H73-R75 VanDerWaalsContact CD2-CG 3.4Å; H73-R75 WeakPolarHBondContact CD2-CG 3.31Å; H73-R75 VanDerWaalsContact NE2-CG 3.26Å; H73-R75 WeakPolarHBondContact NE2-CG 3.23Å; H73-R75 PolarHBondContact NE2-NE 3.39Å; H73-R75 PolarHBondContact O-N 2.86Å; H73-S166 PolarHBondContact O-OG 3.33Å; H73-D229 PolarHBondContact CE1-O 3.13Å | ||
| 74 | D | 44.5 | Very low | 52.2 | Low | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | trans | -74.4 | 76.9 | 176 | -163.2 | -8.1 | 0 | 0 | 0 | 110.2 | E72 T76 | E72-D74 VanDerWaalsContact C-N 3.32Å; E72-D74 HydrophobicContact CG-CB 4.42Å; E72-D74 PolarHBondContact O-N 3.34Å; D74-T76 PolarHBondContact O-N 3.38Å; D74-T76 VanDerWaalsContact OD1-CB 3.26Å; D74-T76 WeakPolarHBondContact OD1-CB 3.41Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.46Å; D74-T76 PolarHBondContact OD1-N 2.83Å; D74-T76 PolarHBondContact OD1-OG1 3.37Å | ||
| 75 | R | 50.4 | Low | 54.6 | Low | 99 Ų | 99 | 98.7 Ų | 98.7 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | trans | -87.1 | 33.1 | 170.2 | -81.5 | -87.4 | -161.7 | 129.2 | 4.7 | 111.3 | H73 R77 F78 F79 | H73-R75 VanDerWaalsContact CD2-CG 3.4Å; H73-R75 WeakPolarHBondContact CD2-CG 3.31Å; H73-R75 VanDerWaalsContact NE2-CG 3.26Å; H73-R75 WeakPolarHBondContact NE2-CG 3.23Å; H73-R75 PolarHBondContact NE2-NE 3.39Å; H73-R75 PolarHBondContact O-N 2.86Å; R75-R77 PolarHBondContact O-N 2.95Å; R75-R77 VanDerWaalsContact O-N 3.13Å; R75-F78 HydrophobicContact CB-CB 4.22Å; R75-F78 PolarHBondContact O-N 3.48Å; R75-F79 WeakPolarHBondContact O-CD2 3.2Å; R75-F79 PolarHBondContact O-N 3.35Å | ||
| 76 | T | 54.4 | Low | 56.7 | Low | 50 Ų | 50 | 95 Ų | 95 | 31% | 0.307 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -53.1 | -30.8 | 169.1 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | D74 R80 | D74-T76 PolarHBondContact O-N 3.38Å; D74-T76 VanDerWaalsContact OD1-CB 3.26Å; D74-T76 WeakPolarHBondContact OD1-CB 3.41Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.46Å; D74-T76 PolarHBondContact OD1-N 2.83Å; D74-T76 PolarHBondContact OD1-OG1 3.37Å; T76-R80 WeakPolarHBondContact O-CB 3.45Å; T76-R80 WeakPolarHBondContact O-CG 3.47Å; T76-R80 PolarHBondContact O-N 3.25Å |
| 77 | R | 56.4 | Low | 59 | Low | 203 Ų | 203 | 88.6 Ų | 88.6 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 173.9 | -61.3 | -175.9 | -172.5 | -175.9 | 1.8 | 112.9 | R75 R80 V81 | R75-R77 PolarHBondContact O-N 2.95Å; R75-R77 VanDerWaalsContact O-N 3.13Å; R77-R80 PolarHBondContact O-N 2.86Å; R77-V81 WeakPolarHBondContact O-CB 3.31Å; R77-V81 VanDerWaalsContact O-CG2 3.24Å; R77-V81 WeakPolarHBondContact O-CG2 3.14Å; R77-V81 PolarHBondContact O-N 3.14Å |
| 78 | F | 64.6 | Low | 61.5 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 47% | 0.465 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -44.6 | 178.5 | 179.4 | -98.6 | 0 | 0 | 0 | 111.1 | R75 R80 V81 L82 | R75-F78 HydrophobicContact CB-CB 4.22Å; R75-F78 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.45Å; F78-V81 PolarHBondContact O-N 3.47Å; F78-L82 HydrophobicContact CE1-CD2 4.38Å; F78-L82 VanDerWaalsContact O-CB 3.28Å; F78-L82 WeakPolarHBondContact O-CB 3.31Å; F78-L82 PolarHBondContact O-N 3.18Å |
| 79 | F | 67.3 | Low | 63.5 | Low | 44 Ų | 44 | 83.3 Ų | 83.3 | 19% | 0.193 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 174.4 | -72.4 | -69.2 | 0 | 0 | 0 | 112.7 | R75 L82 T83 C161 S164 | R75-F79 WeakPolarHBondContact O-CD2 3.2Å; R75-F79 PolarHBondContact O-N 3.35Å; F79-L82 PolarHBondContact O-N 3.43Å; F79-T83 VanDerWaalsContact O-CB 3.23Å; F79-T83 WeakPolarHBondContact O-CB 3.28Å; F79-T83 PolarHBondContact O-N 2.94Å; F79-T83 PolarHBondContact O-OG1 2.82Å; F79-C161 HydrophobicContact CE1-CB 4.35Å; F79-S164 WeakPolarHBondContact CZ-O 3.15Å |
| 80 | R | 69.9 | Low | 65.8 | Low | 180 Ų | 180 | 83.6 Ų | 83.6 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64 | -47 | 173.3 | -78.1 | 174.4 | 76 | -179.8 | 4.4 | 111.1 | T76 R77 F78 T83 V84 | T76-R80 WeakPolarHBondContact O-CB 3.45Å; T76-R80 WeakPolarHBondContact O-CG 3.47Å; T76-R80 PolarHBondContact O-N 3.25Å; R77-R80 PolarHBondContact O-N 2.86Å; F78-R80 VanDerWaalsContact C-N 3.34Å; F78-R80 PolarHBondContact O-N 3.45Å; R80-T83 PolarHBondContact O-N 3.32Å; R80-V84 VanDerWaalsContact O-CB 3.3Å; R80-V84 WeakPolarHBondContact O-CB 3.25Å; R80-V84 WeakPolarHBondContact O-CG2 3.15Å; R80-V84 PolarHBondContact O-N 3.34Å |
| 81 | V | 73.8 | Confident | 67.9 | Low | 101 Ų | 101 | 83.6 Ų | 83.6 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | R77 F78 V84 F85 | R77-V81 WeakPolarHBondContact O-CB 3.31Å; R77-V81 VanDerWaalsContact O-CG2 3.24Å; R77-V81 WeakPolarHBondContact O-CG2 3.14Å; R77-V81 PolarHBondContact O-N 3.14Å; F78-V81 PolarHBondContact O-N 3.47Å; V81-V84 PolarHBondContact O-N 3.42Å; V81-F85 WeakPolarHBondContact O-CB 3.12Å; V81-F85 PolarHBondContact O-N 3.37Å |
| 82 | L | 74 | Confident | 70.1 | Confident | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.7 | -178.4 | 61.8 | 0 | 0 | 0 | 111.8 | F78 F79 F85 C86 C161 | F78-L82 HydrophobicContact CE1-CD2 4.38Å; F78-L82 VanDerWaalsContact O-CB 3.28Å; F78-L82 WeakPolarHBondContact O-CB 3.31Å; F78-L82 PolarHBondContact O-N 3.18Å; F79-L82 PolarHBondContact O-N 3.43Å; L82-F85 PolarHBondContact O-N 2.77Å; L82-C86 VanDerWaalsContact O-CB 3.28Å; L82-C86 WeakPolarHBondContact O-CB 3.42Å; L82-C86 PolarHBondContact O-N 2.83Å; L82-C86 PolarHBondContact O-SG 3.41Å; L82-C86 VanDerWaalsContact O-SG 3.33Å; L82-C161 VanDerWaalsContact CD2-SG 3.53Å |
| 83 | T | 76.5 | Confident | 72.2 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | F79 R80 F85 G87 | F79-T83 VanDerWaalsContact O-CB 3.23Å; F79-T83 WeakPolarHBondContact O-CB 3.28Å; F79-T83 PolarHBondContact O-N 2.94Å; F79-T83 PolarHBondContact O-OG1 2.82Å; R80-T83 PolarHBondContact O-N 3.32Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-G87 PolarHBondContact O-N 2.78Å |
| 84 | V | 81 | Confident | 74.3 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 67% | 0.667 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 174.3 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | R80 V81 G88 | R80-V84 VanDerWaalsContact O-CB 3.3Å; R80-V84 WeakPolarHBondContact O-CB 3.25Å; R80-V84 WeakPolarHBondContact O-CG2 3.15Å; R80-V84 PolarHBondContact O-N 3.34Å; V81-V84 PolarHBondContact O-N 3.42Å; V84-G88 PolarHBondContact O-N 2.83Å |
| 85 | F | 83.8 | Confident | 76.3 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -51 | 177.9 | -176.7 | -100.9 | 0 | 0 | 0 | 111.7 | V81 L82 T83 G87 G88 Q89 | V81-F85 WeakPolarHBondContact O-CB 3.12Å; V81-F85 PolarHBondContact O-N 3.37Å; L82-F85 PolarHBondContact O-N 2.77Å; T83-F85 VanDerWaalsContact C-N 3.32Å; F85-G87 VanDerWaalsContact C-N 3.32Å; F85-G87 PolarHBondContact O-N 2.81Å; F85-G88 PolarHBondContact O-N 3.32Å; F85-Q89 HydrophobicContact CD1-CG 4.29Å; F85-Q89 HydrophobicContact CE1-CG 3.97Å; F85-Q89 HydrophobicContact CE2-CG 4.26Å; F85-Q89 HydrophobicContact CZ-CG 3.95Å; F85-Q89 WeakPolarHBondContact O-CB 3.3Å; F85-Q89 VanDerWaalsContact O-CG 3.27Å; F85-Q89 WeakPolarHBondContact O-CG 3.32Å; F85-Q89 PolarHBondContact O-N 3.29Å |
| 86 | C | 80.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 78 Ų | 78 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.4 | -74.4 | 0 | 0 | 0 | 0 | 111.7 | L82 F90 | L82-C86 VanDerWaalsContact O-CB 3.28Å; L82-C86 WeakPolarHBondContact O-CB 3.42Å; L82-C86 PolarHBondContact O-N 2.83Å; L82-C86 PolarHBondContact O-SG 3.41Å; L82-C86 VanDerWaalsContact O-SG 3.33Å; C86-F90 VanDerWaalsContact O-CB 3.32Å; C86-F90 WeakPolarHBondContact O-CB 3.37Å; C86-F90 PolarHBondContact O-N 3.01Å |
| 87 | G | 82.8 | Confident | 79.1 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T83 F85 F90 V91 | T83-G87 PolarHBondContact O-N 2.78Å; F85-G87 VanDerWaalsContact C-N 3.32Å; F85-G87 PolarHBondContact O-N 2.81Å; G87-F90 PolarHBondContact O-N 3.39Å; G87-V91 VanDerWaalsContact O-CG2 3.31Å; G87-V91 WeakPolarHBondContact O-CG2 3.27Å; G87-V91 PolarHBondContact O-N 2.76Å |
| 88 | G | 87.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V84 F85 V91 F92 | V84-G88 PolarHBondContact O-N 2.83Å; F85-G88 PolarHBondContact O-N 3.32Å; G88-V91 PolarHBondContact O-N 3.42Å; G88-F92 WeakPolarHBondContact O-CB 3.28Å; G88-F92 PolarHBondContact O-N 2.76Å |
| 89 | Q | 83.6 | Confident | 81 | Confident | 29 Ų | 29 | 72 Ų | 72 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.3 | -69.6 | -66.9 | -28.5 | 0 | 0 | 110.9 | F85 V91 F92 W93 I153 | F85-Q89 HydrophobicContact CD1-CG 4.29Å; F85-Q89 HydrophobicContact CE1-CG 3.97Å; F85-Q89 HydrophobicContact CE2-CG 4.26Å; F85-Q89 HydrophobicContact CZ-CG 3.95Å; F85-Q89 WeakPolarHBondContact O-CB 3.3Å; F85-Q89 VanDerWaalsContact O-CG 3.27Å; F85-Q89 WeakPolarHBondContact O-CG 3.32Å; F85-Q89 PolarHBondContact O-N 3.29Å; Q89-V91 PolarHBondContact O-N 2.84Å; Q89-F92 WeakPolarHBondContact O-CB 3.16Å; Q89-F92 PolarHBondContact O-N 3.4Å; Q89-W93 PolarHBondContact O-N 2.82Å; Q89-I153 HydrophobicContact CB-CG2 4.33Å |
| 90 | F | 85.9 | Confident | 81.4 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 37% | 0.373 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.8 | -176.7 | -99.8 | 0 | 0 | 0 | 112.8 | C86 G87 F92 W93 T94 V154 | C86-F90 VanDerWaalsContact O-CB 3.32Å; C86-F90 WeakPolarHBondContact O-CB 3.37Å; C86-F90 PolarHBondContact O-N 3.01Å; G87-F90 PolarHBondContact O-N 3.39Å; F90-F92 VanDerWaalsContact C-N 3.35Å; F90-W93 PolarHBondContact O-N 3.34Å; F90-T94 VanDerWaalsContact O-CB 3.31Å; F90-T94 WeakPolarHBondContact O-CB 3.45Å; F90-T94 PolarHBondContact O-N 3.44Å; F90-T94 PolarHBondContact O-OG1 2.74Å; F90-V154 HydrophobicContact CB-CG2 3.9Å; F90-V154 HydrophobicContact CD2-CG2 3.81Å; F90-V154 HydrophobicContact CG-CG2 4.12Å |
| 91 | V | 87.3 | Confident | 81.4 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | G87 G88 Q89 T94 Y95 | G87-V91 VanDerWaalsContact O-CG2 3.31Å; G87-V91 WeakPolarHBondContact O-CG2 3.27Å; G87-V91 PolarHBondContact O-N 2.76Å; G88-V91 PolarHBondContact O-N 3.42Å; Q89-V91 PolarHBondContact O-N 2.84Å; V91-T94 PolarHBondContact O-N 3.36Å; V91-Y95 VanDerWaalsContact O-CB 3.3Å; V91-Y95 WeakPolarHBondContact O-CB 3.44Å; V91-Y95 PolarHBondContact O-N 3.44Å |
| 92 | F | 87.6 | Confident | 81.2 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 177.2 | 171.6 | -103.7 | 0 | 0 | 0 | 112.7 | F6 G88 Q89 F90 Y95 L96 | F6-F92 HydrophobicContact CD2-CE2 4.26Å; F6-F92 HydrophobicContact CD2-CZ 4.15Å; F6-F92 HydrophobicContact CE1-CZ 4.48Å; F6-F92 AromaticContact CE2-CE2 3.51Å; F6-F92 HydrophobicContact CE2-CE2 3.51Å; F6-F92 AromaticContact CE2-CZ 3.3Å; F6-F92 HydrophobicContact CE2-CZ 3.3Å; F6-F92 HydrophobicContact CZ-CE1 4.41Å; F6-F92 HydrophobicContact CZ-CE2 4.16Å; F6-F92 AromaticContact CZ-CZ 3.52Å; F6-F92 HydrophobicContact CZ-CZ 3.52Å; G88-F92 WeakPolarHBondContact O-CB 3.28Å; G88-F92 PolarHBondContact O-N 2.76Å; Q89-F92 WeakPolarHBondContact O-CB 3.16Å; Q89-F92 PolarHBondContact O-N 3.4Å; F90-F92 VanDerWaalsContact C-N 3.35Å; F92-Y95 PolarHBondContact O-N 3.5Å; F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CE1-CD1 3.5Å; F92-L96 VanDerWaalsContact CE1-CD1 3.5Å; F92-L96 HydrophobicContact CE2-CD1 4.18Å; F92-L96 HydrophobicContact CE2-CG 4.46Å; F92-L96 HydrophobicContact CZ-CD1 3.61Å; F92-L96 HydrophobicContact CZ-CG 4.35Å; F92-L96 PolarHBondContact O-N 3.1Å |
| 93 | W | 84.3 | Confident | 80.7 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.5 | -73 | 104.2 | 0 | 0 | 0 | 110.8 | F10 Q89 F90 Y95 L96 A97 C146 I149 | F10-W93 AromaticContact CE2-CH2 3.7Å; F10-W93 HydrophobicContact CE2-CH2 3.7Å; F10-W93 AromaticContact CE2-CZ2 3.87Å; F10-W93 HydrophobicContact CE2-CZ2 3.87Å; F10-W93 HydrophobicContact CZ-CH2 4.44Å; Q89-W93 PolarHBondContact O-N 2.82Å; F90-W93 PolarHBondContact O-N 3.34Å; W93-Y95 VanDerWaalsContact C-N 3.28Å; W93-Y95 PolarHBondContact O-N 2.87Å; W93-L96 HydrophobicContact CE3-CD1 4.42Å; W93-L96 PolarHBondContact O-N 2.88Å; W93-L96 VanDerWaalsContact O-N 3.12Å; W93-A97 PolarHBondContact O-N 3.33Å; W93-C146 VanDerWaalsContact C-SG 3.58Å; W93-C146 VanDerWaalsContact CE3-SG 3.56Å; W93-C146 PolarHBondContact O-SG 2.97Å; W93-I149 HydrophobicContact CD2-CG2 4.13Å; W93-I149 HydrophobicContact CE3-CB 4.38Å; W93-I149 HydrophobicContact CE3-CG2 4.31Å; W93-I149 HydrophobicContact CH2-CB 4.26Å; W93-I149 HydrophobicContact CH2-CD1 3.83Å; W93-I149 HydrophobicContact CH2-CG2 3.66Å; W93-I149 HydrophobicContact CZ2-CB 4.44Å; W93-I149 HydrophobicContact CZ2-CG2 3.45Å; W93-I149 VanDerWaalsContact CZ2-CG2 3.45Å; W93-I149 HydrophobicContact CZ3-CB 4.24Å; W93-I149 HydrophobicContact CZ3-CD1 3.83Å; W93-I149 HydrophobicContact CZ3-CG2 4.1Å |
| 94 | T | 85.4 | Confident | 79.9 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | F90 V91 A97 Q98 | F90-T94 VanDerWaalsContact O-CB 3.31Å; F90-T94 WeakPolarHBondContact O-CB 3.45Å; F90-T94 PolarHBondContact O-N 3.44Å; F90-T94 PolarHBondContact O-OG1 2.74Å; V91-T94 PolarHBondContact O-N 3.36Å; T94-A97 WeakPolarHBondContact O-CB 3.35Å; T94-A97 PolarHBondContact O-N 3.2Å; T94-Q98 WeakPolarHBondContact O-CB 3.2Å; T94-Q98 PolarHBondContact O-N 2.92Å |
| 95 | Y | 85.1 | Confident | 78.6 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 174.5 | 179.9 | -99.5 | 0 | 0 | 0 | 111.9 | V91 F92 W93 Q98 F99 | V91-Y95 VanDerWaalsContact O-CB 3.3Å; V91-Y95 WeakPolarHBondContact O-CB 3.44Å; V91-Y95 PolarHBondContact O-N 3.44Å; F92-Y95 PolarHBondContact O-N 3.5Å; W93-Y95 VanDerWaalsContact C-N 3.28Å; W93-Y95 PolarHBondContact O-N 2.87Å; Y95-Q98 PolarHBondContact O-N 2.81Å; Y95-F99 VanDerWaalsContact O-CB 3.28Å; Y95-F99 WeakPolarHBondContact O-CB 3.48Å; Y95-F99 PolarHBondContact O-N 2.95Å |
| 96 | L | 82.8 | Confident | 76.9 | Confident | 33 Ų | 33 | 68 Ų | 68 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.6 | -75.5 | 171.5 | 0 | 0 | 0 | 112.6 | F6 F92 W93 Q98 A100 | F6-L96 HydrophobicContact CE2-CD1 4.29Å; F6-L96 HydrophobicContact CE2-CD2 3.87Å; F6-L96 HydrophobicContact CZ-CD1 3.68Å; F6-L96 HydrophobicContact CZ-CD2 3.62Å; F6-L96 HydrophobicContact CZ-CG 4.22Å; F92-L96 HydrophobicContact CD1-CD1 4.04Å; F92-L96 HydrophobicContact CE1-CD1 3.5Å; F92-L96 VanDerWaalsContact CE1-CD1 3.5Å; F92-L96 HydrophobicContact CE2-CD1 4.18Å; F92-L96 HydrophobicContact CE2-CG 4.46Å; F92-L96 HydrophobicContact CZ-CD1 3.61Å; F92-L96 HydrophobicContact CZ-CG 4.35Å; F92-L96 PolarHBondContact O-N 3.1Å; W93-L96 HydrophobicContact CE3-CD1 4.42Å; W93-L96 PolarHBondContact O-N 2.88Å; W93-L96 VanDerWaalsContact O-N 3.12Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-A100 VanDerWaalsContact O-CB 3.22Å; L96-A100 WeakPolarHBondContact O-CB 3.42Å; L96-A100 PolarHBondContact O-N 3.22Å |
| 97 | A | 81.9 | Confident | 75.5 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W93 T94 F101 T143 C146 | W93-A97 PolarHBondContact O-N 3.33Å; T94-A97 WeakPolarHBondContact O-CB 3.35Å; T94-A97 PolarHBondContact O-N 3.2Å; A97-F101 VanDerWaalsContact O-CB 3.28Å; A97-F101 WeakPolarHBondContact O-CB 3.39Å; A97-F101 PolarHBondContact O-N 2.95Å; A97-T143 HydrophobicContact CB-CG2 4.35Å; A97-C146 HydrophobicContact CB-CB 3.9Å |
| 98 | Q | 79.9 | Confident | 74 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 180 | -163.6 | -93.1 | -82.8 | 0 | 0 | 111.2 | T94 Y95 L96 F101 T102 | T94-Q98 WeakPolarHBondContact O-CB 3.2Å; T94-Q98 PolarHBondContact O-N 2.92Å; Y95-Q98 PolarHBondContact O-N 2.81Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; Q98-F101 PolarHBondContact O-N 3.43Å; Q98-T102 PolarHBondContact NE2-OG1 3.27Å; Q98-T102 PolarHBondContact O-N 3.3Å; Q98-T102 PolarHBondContact O-OG1 2.87Å |
| 99 | F | 80.4 | Confident | 72 | Confident | 122 Ų | 122 | 75 Ų | 75 | 54% | 0.535 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.2 | 178.4 | -100.5 | 0 | 0 | 0 | 111.9 | Y95 T102 G103 | Y95-F99 VanDerWaalsContact O-CB 3.28Å; Y95-F99 WeakPolarHBondContact O-CB 3.48Å; Y95-F99 PolarHBondContact O-N 2.95Å; F99-T102 PolarHBondContact O-OG1 3.46Å; F99-G103 WeakPolarHBondContact O-CA 3.28Å; F99-G103 PolarHBondContact O-N 2.82Å |
| 100 | A | 74.9 | Confident | 70.2 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L96 T102 L104 F142 | L96-A100 VanDerWaalsContact O-CB 3.22Å; L96-A100 WeakPolarHBondContact O-CB 3.42Å; L96-A100 PolarHBondContact O-N 3.22Å; A100-T102 PolarHBondContact O-N 2.93Å; A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.46Å; A100-L104 PolarHBondContact O-N 3.42Å; A100-F142 HydrophobicContact CB-CD1 3.16Å; A100-F142 HydrophobicContact CB-CE1 3.07Å; A100-F142 HydrophobicContact CB-CG 4.23Å; A100-F142 HydrophobicContact CB-CZ 4.06Å |
| 101 | F | 70.4 | Confident | 68.2 | Low | 75 Ų | 75 | 86 Ų | 86 | 33% | 0.329 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.2 | -173.6 | -99.1 | 0 | 0 | 0 | 112.3 | A97 Q98 R105 | A97-F101 VanDerWaalsContact O-CB 3.28Å; A97-F101 WeakPolarHBondContact O-CB 3.39Å; A97-F101 PolarHBondContact O-N 2.95Å; Q98-F101 PolarHBondContact O-N 3.43Å; F101-R105 WeakPolarHBondContact O-CB 3.47Å |
| 102 | T | 69.4 | Low | 66.1 | Low | 59 Ų | 59 | 91.1 Ų | 91.1 | 36% | 0.362 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -84.9 | -36.3 | 178.1 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | Q98 F99 A100 R105 | Q98-T102 PolarHBondContact NE2-OG1 3.27Å; Q98-T102 PolarHBondContact O-N 3.3Å; Q98-T102 PolarHBondContact O-OG1 2.87Å; F99-T102 PolarHBondContact O-OG1 3.46Å; A100-T102 PolarHBondContact O-N 2.93Å; T102-R105 VanDerWaalsContact O-CB 3.23Å; T102-R105 WeakPolarHBondContact O-CB 3.23Å; T102-R105 PolarHBondContact O-N 2.86Å; T102-R105 VanDerWaalsContact O-N 3.11Å |
| 103 | G | 63.6 | Low | 64.1 | Low | 37 Ų | 37 | 92.6 Ų | 92.6 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F99 R105 | F99-G103 WeakPolarHBondContact O-CA 3.28Å; F99-G103 PolarHBondContact O-N 2.82Å; G103-R105 VanDerWaalsContact C-N 3.26Å; G103-R105 PolarHBondContact O-N 3.5Å |
| 104 | L | 60.1 | Low | 62.2 | Low | 53 Ų | 53 | 101 Ų | 101 | 28% | 0.277 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.1 | 169.4 | -88.2 | 66 | 0 | 0 | 0 | 113.1 | A100 D106 W138 | A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.46Å; A100-L104 PolarHBondContact O-N 3.42Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-W138 VanDerWaalsContact CD2-CD1 3.49Å |
| 105 | R | 54.1 | Low | 59.7 | Low | 167 Ų | 167 | 101.3 Ų | 101.3 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22.6 | 178.1 | -171.5 | 170 | 161.1 | 115.2 | 0.5 | 112.6 | F101 T102 G103 R139 | F101-R105 WeakPolarHBondContact O-CB 3.47Å; T102-R105 VanDerWaalsContact O-CB 3.23Å; T102-R105 WeakPolarHBondContact O-CB 3.23Å; T102-R105 PolarHBondContact O-N 2.86Å; T102-R105 VanDerWaalsContact O-N 3.11Å; G103-R105 VanDerWaalsContact C-N 3.26Å; G103-R105 PolarHBondContact O-N 3.5Å; R105-R139 VanDerWaalsContact CA-NH2 3.3Å; R105-R139 VanDerWaalsContact CB-NH2 3.29Å |
| 106 | D | 48.6 | Very low | 57.7 | Low | 149 Ų | 149 | 100.6 Ų | 100.6 | 80% | 0.797 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 0.2 | -173.4 | -96.1 | -13.8 | 0 | 0 | 0 | 115.9 | L104 | L104-D106 VanDerWaalsContact C-N 3.34Š|
| 107 | T | 50.8 | Low | 55.7 | Low | 103 Ų | 103 | 104.4 Ų | 104.4 | 63% | 0.632 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 3.7 | 178 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 108 | G | 49.8 | Very low | 53.9 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 73% | 0.732 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -111 | -5.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 109 | G | 46.7 | Very low | 52 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -103.8 | -22.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 110 | K | 44.6 | Very low | 50.3 | Low | 188 Ų | 188 | 109.8 Ų | 109.8 | 82% | 0.817 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -146.1 | 134.3 | 179.4 | -71.6 | 178.8 | 178.5 | 172.2 | 0 | 107 | ||
| 111 | D | 44 | Very low | 49 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | trans | 90.1 | 37 | 179.4 | -48.1 | -26.4 | 0 | 0 | 0 | 118.6 | ||||
| 112 | R | 45 | Very low | 47.5 | Very low | 205 Ų | 205 | 114.8 Ų | 114.8 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | trans | -121.8 | 34 | 157.1 | -80.2 | -163.8 | -179.8 | 162.1 | 0.4 | 114.8 | K114 | R112-K114 PolarHBondContact O-N 3.17Š| ||
| 113 | A | 44.3 | Very low | 46.5 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -78.6 | 108.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||
| 114 | K | 44.1 | Very low | 45.5 | Very low | 208 Ų | 208 | 122.9 Ų | 122.9 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 89 | 85.1 | 164.8 | -146.8 | 176.2 | -168.1 | 179.4 | 0 | 117.5 | R112 | R112-K114 PolarHBondContact O-N 3.17Š|
| 115 | A | 33.2 | Very low | 44.7 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | 161.4 | 126.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T117 | A115-T117 PolarHBondContact O-N 3.45Š| |||
| 116 | P | 44.3 | Very low | 44.2 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -88.7 | 86.8 | 166.8 | 34.3 | -24.8 | 0 | 0 | 0 | 108.1 | ||||
| 117 | T | 39 | Very low | 43.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | trans | -108.5 | 88.1 | 169.9 | 37.9 | 0 | 0 | 0 | 0 | 109.2 | A115 T119 | A115-T117 PolarHBondContact O-N 3.45Å; T117-T119 PolarHBondContact O-N 3.28Å | ||
| 118 | T | 44 | Very low | 43.5 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -54.3 | 94.3 | 163.2 | -41 | 0 | 0 | 0 | 0 | 108.7 | T120 | T118-T120 VanDerWaalsContact C-N 3.25Å; T118-T120 PolarHBondContact O-N 2.86Å | ||
| 119 | T | 41.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -78.5 | 81.8 | 171.7 | -52.7 | 0 | 0 | 0 | 0 | 108.5 | T117 T121 | T117-T119 PolarHBondContact O-N 3.28Å; T119-T121 WeakPolarHBondContact CG2-OG1 3.44Å; T119-T121 PolarHBondContact O-N 2.9Å; T119-T121 VanDerWaalsContact O-N 3.14Å | ||
| 120 | T | 45.1 | Very low | 43.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -66.6 | 100.9 | 165.5 | -59.2 | 0 | 0 | 0 | 0 | 108 | T118 | T118-T120 VanDerWaalsContact C-N 3.25Å; T118-T120 PolarHBondContact O-N 2.86Å | ||
| 121 | T | 46.3 | Very low | 43.5 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -125.5 | 96.8 | 167.5 | -47.5 | 0 | 0 | 0 | 0 | 108.4 | T119 | T119-T121 WeakPolarHBondContact CG2-OG1 3.44Å; T119-T121 PolarHBondContact O-N 2.9Å; T119-T121 VanDerWaalsContact O-N 3.14Å | ||
| 122 | G | 39.5 | Very low | 43.8 | Very low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 168.2 | 122.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A124 | G122-A124 PolarHBondContact O-N 3.35Š|
| 123 | L | 48.6 | Very low | 44.1 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 93% | 0.927 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -44.8 | 130.9 | 178.6 | -85.3 | 82.7 | 0 | 0 | 0 | 113.2 | ||
| 124 | A | 41.7 | Very low | 44.4 | Very low | 89 Ų | 89 | 119.9 Ų | 119.9 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 45.7 | 84.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | G122 M126 | G122-A124 PolarHBondContact O-N 3.35Å; A124-M126 VanDerWaalsContact C-N 3.29Å; A124-M126 PolarHBondContact O-N 3.38Å |
| 125 | G | 43.5 | Very low | 45.2 | Very low | 81 Ų | 81 | 112.6 Ų | 112.6 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | S | Bend | 66 | -15.7 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||
| 126 | M | 44.1 | Very low | 46.5 | Very low | 154 Ų | 154 | 113.7 Ų | 113.7 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -112.9 | -16.6 | -173.9 | -160.7 | 70.5 | 66.8 | 0 | 0 | 113.7 | A124 | A124-M126 VanDerWaalsContact C-N 3.29Å; A124-M126 PolarHBondContact O-N 3.38Å |
| 127 | W | 40.9 | Very low | 47.6 | Very low | 214 Ų | 214 | 111 Ų | 111 | 81% | 0.811 | 66% | 0.658 | S | S | * | * | trans | -138.2 | 52.2 | -179.7 | -59.4 | 92.2 | 0 | 0 | 0 | 110.4 | F129 | W127-F129 PolarHBondContact O-N 3.39Š| ||
| 128 | S | 42.9 | Very low | 49.2 | Very low | 98 Ų | 98 | 110.5 Ų | 110.5 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | trans | -69.5 | 83.6 | 172.8 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | E130 | S128-E130 PolarHBondContact O-N 3.03Š| ||
| 129 | F | 45.6 | Very low | 50.5 | Low | 166 Ų | 166 | 107.5 Ų | 107.5 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | trans | -66.3 | 91.9 | 154.5 | -79.2 | -77 | 0 | 0 | 0 | 106.2 | W127 M131 | W127-F129 PolarHBondContact O-N 3.39Å; F129-M131 PolarHBondContact O-N 3.01Å | ||
| 130 | E | 45.9 | Very low | 52.1 | Low | 145 Ų | 145 | 109 Ų | 109 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | trans | -51.3 | 90.6 | 163.6 | -163.6 | 84.3 | -157.7 | 0 | 0 | 106.9 | S128 N132 | S128-E130 PolarHBondContact O-N 3.03Å; E130-N132 PolarHBondContact O-N 3.22Å | ||
| 131 | M | 49.7 | Very low | 53.8 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 56% | 0.562 | 60% | 0.598 | S | S | * | * | trans | -77.1 | 67.9 | -177.1 | -96 | -169.3 | 156.2 | 0 | 0 | 108.8 | F129 L133 W138 | F129-M131 PolarHBondContact O-N 3.01Å; M131-L133 HydrophobicContact CB-CD1 4.23Å; M131-L133 HydrophobicContact CB-CG 4.28Å; M131-L133 PolarHBondContact O-N 3.31Å; M131-W138 HydrophobicContact CE-CH2 3.95Å; M131-W138 HydrophobicContact CE-CZ2 4.16Å; M131-W138 HydrophobicContact CE-CZ3 4.48Å | ||
| 132 | N | 49.9 | Very low | 55.5 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | trans | -75.5 | 75.2 | 162 | -136 | -57 | 0 | 0 | 0 | 107.3 | E130 G134 S135 | E130-N132 PolarHBondContact O-N 3.22Å; N132-G134 PolarHBondContact O-N 3.03Å; N132-S135 WeakPolarHBondContact O-CB 3.31Å; N132-S135 PolarHBondContact O-N 3.24Å | ||
| 133 | L | 52.3 | Low | 57.5 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -8.5 | -176.9 | -72.1 | 134.7 | 0 | 0 | 0 | 114 | M131 | M131-L133 HydrophobicContact CB-CD1 4.23Å; M131-L133 HydrophobicContact CB-CG 4.28Å; M131-L133 PolarHBondContact O-N 3.31Å |
| 134 | G | 50.6 | Low | 59.2 | Low | 40 Ų | 40 | 98.8 Ų | 98.8 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -5.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N132 | N132-G134 PolarHBondContact O-N 3.03Š|
| 135 | S | 60.2 | Low | 61.4 | Low | 55 Ų | 55 | 95.9 Ų | 95.9 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -76 | 140 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | N132 A137 W138 | N132-S135 WeakPolarHBondContact O-CB 3.31Å; N132-S135 PolarHBondContact O-N 3.24Å; S135-A137 PolarHBondContact O-N 3.38Å; S135-W138 PolarHBondContact O-N 2.91Å |
| 136 | N | 61.1 | Low | 63.4 | Low | 93 Ų | 93 | 92.3 Ų | 92.3 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -52.7 | -27.2 | 177.6 | -69.3 | -48.9 | 0 | 0 | 0 | 112.5 | R139 Y140 | N136-R139 PolarHBondContact O-N 2.92Å; N136-Y140 HydrophobicContact CB-CD2 4.13Å; N136-Y140 HydrophobicContact CB-CE2 3.89Å; N136-Y140 WeakPolarHBondContact O-CD2 3.46Å; N136-Y140 PolarHBondContact O-N 2.92Å |
| 137 | A | 68.1 | Low | 65.5 | Low | 72 Ų | 72 | 89.3 Ų | 89.3 | 60% | 0.595 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S135 G141 | S135-A137 PolarHBondContact O-N 3.38Å; A137-G141 PolarHBondContact O-N 2.77Å |
| 138 | W | 71.8 | Confident | 67.8 | Low | 102 Ų | 102 | 83 Ų | 83 | 39% | 0.386 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71 | -34.6 | 177.9 | -178.5 | -111 | 0 | 0 | 0 | 111.7 | L104 M131 S135 G141 F142 | L104-W138 VanDerWaalsContact CD2-CD1 3.49Å; M131-W138 HydrophobicContact CE-CH2 3.95Å; M131-W138 HydrophobicContact CE-CZ2 4.16Å; M131-W138 HydrophobicContact CE-CZ3 4.48Å; S135-W138 PolarHBondContact O-N 2.91Å; W138-G141 PolarHBondContact O-N 2.83Å; W138-F142 WeakPolarHBondContact O-CB 3.35Å; W138-F142 PolarHBondContact O-N 3.12Å |
| 139 | R | 70.3 | Confident | 70 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 17% | 0.17 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.7 | -50.7 | 177.1 | -55.3 | 172.5 | 79.3 | 172.7 | 8.8 | 110.5 | R105 N136 T143 | R105-R139 VanDerWaalsContact CA-NH2 3.3Å; R105-R139 VanDerWaalsContact CB-NH2 3.29Å; N136-R139 PolarHBondContact O-N 2.92Å; R139-T143 WeakPolarHBondContact O-CB 3.49Å; R139-T143 PolarHBondContact O-N 3.3Å; R139-T143 VanDerWaalsContact O-N 3.11Å; R139-T143 PolarHBondContact O-OG1 3.3Å; R139-T143 VanDerWaalsContact O-OG1 3.07Å |
| 140 | Y | 75.1 | Confident | 71.8 | Confident | 149 Ų | 149 | 74.3 Ų | 74.3 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 175 | -68.8 | -59.9 | 0 | 0 | 0 | 111.8 | N136 L144 | N136-Y140 HydrophobicContact CB-CD2 4.13Å; N136-Y140 HydrophobicContact CB-CE2 3.89Å; N136-Y140 WeakPolarHBondContact O-CD2 3.46Å; N136-Y140 PolarHBondContact O-N 2.92Å; Y140-L144 WeakPolarHBondContact O-CA 3.48Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å |
| 141 | G | 82.7 | Confident | 73.6 | Confident | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A137 W138 L144 G145 | A137-G141 PolarHBondContact O-N 2.77Å; W138-G141 PolarHBondContact O-N 2.83Å; G141-L144 PolarHBondContact O-N 3.44Å; G141-G145 PolarHBondContact O-N 2.78Å |
| 142 | F | 81.3 | Confident | 75.5 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 178.2 | -172.1 | -85.6 | 0 | 0 | 0 | 111.8 | A100 W138 L144 G145 C146 | A100-F142 HydrophobicContact CB-CD1 3.16Å; A100-F142 HydrophobicContact CB-CE1 3.07Å; A100-F142 HydrophobicContact CB-CG 4.23Å; A100-F142 HydrophobicContact CB-CZ 4.06Å; W138-F142 WeakPolarHBondContact O-CB 3.35Å; W138-F142 PolarHBondContact O-N 3.12Å; F142-L144 VanDerWaalsContact C-N 3.34Å; F142-L144 PolarHBondContact O-N 2.86Å; F142-G145 PolarHBondContact O-N 3.47Å; F142-C146 VanDerWaalsContact O-CB 3.31Å; F142-C146 WeakPolarHBondContact O-CB 3.25Å; F142-C146 PolarHBondContact O-N 3.32Å |
| 143 | T | 82 | Confident | 77.1 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | A97 R139 C146 L147 | A97-T143 HydrophobicContact CB-CG2 4.35Å; R139-T143 WeakPolarHBondContact O-CB 3.49Å; R139-T143 PolarHBondContact O-N 3.3Å; R139-T143 VanDerWaalsContact O-N 3.11Å; R139-T143 PolarHBondContact O-OG1 3.3Å; R139-T143 VanDerWaalsContact O-OG1 3.07Å; T143-C146 WeakPolarHBondContact O-CB 3Å; T143-C146 PolarHBondContact O-N 3.47Å; T143-L147 HydrophobicContact CG2-CD1 4.16Å; T143-L147 WeakPolarHBondContact O-CB 3.23Å; T143-L147 PolarHBondContact O-N 2.89Å |
| 144 | L | 84.4 | Confident | 78.5 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 59% | 0.586 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 177.7 | -173.5 | 66.5 | 0 | 0 | 0 | 111.2 | Y140 G141 F142 C146 L147 T148 | Y140-L144 WeakPolarHBondContact O-CA 3.48Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å; G141-L144 PolarHBondContact O-N 3.44Å; F142-L144 VanDerWaalsContact C-N 3.34Å; F142-L144 PolarHBondContact O-N 2.86Å; L144-C146 VanDerWaalsContact C-N 3.3Å; L144-C146 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 3.48Å; L144-T148 HydrophobicContact CD1-CG2 4.48Å; L144-T148 HydrophobicContact CG-CG2 4.39Å; L144-T148 VanDerWaalsContact O-CG2 3.25Å; L144-T148 WeakPolarHBondContact O-CG2 3.28Å; L144-T148 PolarHBondContact O-N 2.9Å; L144-T148 PolarHBondContact O-OG1 2.84Å |
| 145 | G | 87.2 | Confident | 80 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G141 F142 T148 I149 | G141-G145 PolarHBondContact O-N 2.78Å; F142-G145 PolarHBondContact O-N 3.47Å; G145-T148 WeakPolarHBondContact CA-OG1 3.31Å; G145-T148 PolarHBondContact O-OG1 2.85Å; G145-I149 WeakPolarHBondContact O-CD1 3.4Å; G145-I149 VanDerWaalsContact O-CG1 3.26Å; G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.36Å; G145-I149 VanDerWaalsContact O-N 3.15Å |
| 146 | C | 86.1 | Confident | 81 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.1 | -165.8 | 0 | 0 | 0 | 0 | 112 | W93 A97 F142 T143 L144 G150 | W93-C146 VanDerWaalsContact C-SG 3.58Å; W93-C146 VanDerWaalsContact CE3-SG 3.56Å; W93-C146 PolarHBondContact O-SG 2.97Å; A97-C146 HydrophobicContact CB-CB 3.9Å; F142-C146 VanDerWaalsContact O-CB 3.31Å; F142-C146 WeakPolarHBondContact O-CB 3.25Å; F142-C146 PolarHBondContact O-N 3.32Å; T143-C146 WeakPolarHBondContact O-CB 3Å; T143-C146 PolarHBondContact O-N 3.47Å; L144-C146 VanDerWaalsContact C-N 3.3Å; L144-C146 PolarHBondContact O-N 3.38Å; C146-G150 PolarHBondContact O-N 3.28Å |
| 147 | L | 86.9 | Confident | 81.7 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 48% | 0.482 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.5 | -103.5 | 149.7 | 0 | 0 | 0 | 112.7 | T143 L144 G150 A151 | T143-L147 HydrophobicContact CG2-CD1 4.16Å; T143-L147 WeakPolarHBondContact O-CB 3.23Å; T143-L147 PolarHBondContact O-N 2.89Å; L144-L147 PolarHBondContact O-N 3.48Å; L147-G150 PolarHBondContact O-N 3.38Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.14Å |
| 148 | T | 90.1 | Very high | 81.7 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | L144 G145 G152 | L144-T148 HydrophobicContact CD1-CG2 4.48Å; L144-T148 HydrophobicContact CG-CG2 4.39Å; L144-T148 VanDerWaalsContact O-CG2 3.25Å; L144-T148 WeakPolarHBondContact O-CG2 3.28Å; L144-T148 PolarHBondContact O-N 2.9Å; L144-T148 PolarHBondContact O-OG1 2.84Å; G145-T148 WeakPolarHBondContact CA-OG1 3.31Å; G145-T148 PolarHBondContact O-OG1 2.85Å; T148-G152 PolarHBondContact O-N 3.15Å |
| 149 | I | 88 | Confident | 81.8 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 175.3 | -64.1 | 166 | 0 | 0 | 0 | 110.5 | W93 G145 A151 G152 I153 | W93-I149 HydrophobicContact CD2-CG2 4.13Å; W93-I149 HydrophobicContact CE3-CB 4.38Å; W93-I149 HydrophobicContact CE3-CG2 4.31Å; W93-I149 HydrophobicContact CH2-CB 4.26Å; W93-I149 HydrophobicContact CH2-CD1 3.83Å; W93-I149 HydrophobicContact CH2-CG2 3.66Å; W93-I149 HydrophobicContact CZ2-CB 4.44Å; W93-I149 HydrophobicContact CZ2-CG2 3.45Å; W93-I149 VanDerWaalsContact CZ2-CG2 3.45Å; W93-I149 HydrophobicContact CZ3-CB 4.24Å; W93-I149 HydrophobicContact CZ3-CD1 3.83Å; W93-I149 HydrophobicContact CZ3-CG2 4.1Å; G145-I149 WeakPolarHBondContact O-CD1 3.4Å; G145-I149 VanDerWaalsContact O-CG1 3.26Å; G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.36Å; G145-I149 VanDerWaalsContact O-N 3.15Å; I149-A151 PolarHBondContact O-N 3.42Å; I149-G152 PolarHBondContact O-N 2.77Å; I149-I153 HydrophobicContact CG2-CD1 4.12Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 3.38Å |
| 150 | G | 84.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C146 L147 G152 I153 V154 | C146-G150 PolarHBondContact O-N 3.28Å; L147-G150 PolarHBondContact O-N 3.38Å; G150-G152 VanDerWaalsContact C-N 3.34Å; G150-G152 PolarHBondContact O-N 2.93Å; G150-I153 PolarHBondContact O-N 2.96Å; G150-V154 WeakPolarHBondContact O-CG2 3.26Å; G150-V154 PolarHBondContact O-N 3.49Å; G150-V154 VanDerWaalsContact O-N 3.1Å |
| 151 | A | 84.4 | Confident | 80.9 | Confident | 54 Ų | 54 | 52 Ų | 52 | 45% | 0.446 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L147 I149 G155 | L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.14Å; I149-A151 PolarHBondContact O-N 3.42Å; A151-G155 WeakPolarHBondContact O-CA 3.24Å; A151-G155 PolarHBondContact O-N 3.31Å |
| 152 | G | 88.4 | Confident | 79.5 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T148 I149 G150 G155 L156 | T148-G152 PolarHBondContact O-N 3.15Å; I149-G152 PolarHBondContact O-N 2.77Å; G150-G152 VanDerWaalsContact C-N 3.34Å; G150-G152 PolarHBondContact O-N 2.93Å; G152-G155 PolarHBondContact O-N 3.02Å; G152-L156 WeakPolarHBondContact O-CB 3.31Å; G152-L156 PolarHBondContact O-N 2.95Å |
| 153 | I | 84.2 | Confident | 78.2 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.7 | -64.1 | 165.4 | 0 | 0 | 0 | 110.8 | L17 Q89 I149 G150 G157 | L17-I153 HydrophobicContact CD1-CD1 4.44Å; L17-I153 HydrophobicContact CD1-CG1 4.29Å; Q89-I153 HydrophobicContact CB-CG2 4.33Å; I149-I153 HydrophobicContact CG2-CD1 4.12Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 3.38Å; G150-I153 PolarHBondContact O-N 2.96Å; I153-G157 PolarHBondContact O-N 2.72Å |
| 154 | V | 81.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 177.8 | 174 | 0 | 0 | 0 | 0 | 111.4 | F90 G150 G157 A158 | F90-V154 HydrophobicContact CB-CG2 3.9Å; F90-V154 HydrophobicContact CD2-CG2 3.81Å; F90-V154 HydrophobicContact CG-CG2 4.12Å; G150-V154 WeakPolarHBondContact O-CG2 3.26Å; G150-V154 PolarHBondContact O-N 3.49Å; G150-V154 VanDerWaalsContact O-N 3.1Å; V154-G157 PolarHBondContact O-N 2.93Å; V154-A158 WeakPolarHBondContact O-CB 3.32Å; V154-A158 PolarHBondContact O-N 3.36Å |
| 155 | G | 82.5 | Confident | 74.4 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A151 G152 A158 L159 | A151-G155 WeakPolarHBondContact O-CA 3.24Å; A151-G155 PolarHBondContact O-N 3.31Å; G152-G155 PolarHBondContact O-N 3.02Å; G155-A158 PolarHBondContact O-N 2.86Å; G155-L159 WeakPolarHBondContact O-CB 3.25Å; G155-L159 PolarHBondContact O-N 2.88Å |
| 156 | L | 81.3 | Confident | 72.2 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 174.8 | -170 | 60.5 | 0 | 0 | 0 | 110.5 | L17 L21 G152 A158 L159 F160 | L17-L156 HydrophobicContact CD2-CD2 4.47Å; L21-L156 HydrophobicContact CD2-CD2 4.19Å; G152-L156 WeakPolarHBondContact O-CB 3.31Å; G152-L156 PolarHBondContact O-N 2.95Å; L156-A158 PolarHBondContact O-N 3.28Å; L156-L159 PolarHBondContact O-N 3.19Å; L156-F160 HydrophobicContact CD1-CD2 3.87Å; L156-F160 HydrophobicContact CD1-CE2 3.48Å; L156-F160 VanDerWaalsContact CD1-CE2 3.48Å; L156-F160 HydrophobicContact CD2-CE2 4.1Å; L156-F160 HydrophobicContact CG-CD2 3.72Å; L156-F160 HydrophobicContact CG-CE2 3.53Å; L156-F160 WeakPolarHBondContact O-CB 3.42Å; L156-F160 WeakPolarHBondContact O-CD2 3.34Å; L156-F160 PolarHBondContact O-N 2.7Å |
| 157 | G | 75.5 | Confident | 70 | Confident | 7 Ų | 7 | 68 Ų | 68 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I153 V154 F160 C161 | I153-G157 PolarHBondContact O-N 2.72Å; V154-G157 PolarHBondContact O-N 2.93Å; G157-F160 PolarHBondContact O-N 2.86Å; G157-C161 WeakPolarHBondContact O-CB 3.23Å; G157-C161 PolarHBondContact O-N 2.85Å; G157-C161 PolarHBondContact O-SG 2.8Å |
| 158 | A | 68.2 | Low | 67.7 | Low | 41 Ų | 41 | 67.8 Ų | 67.8 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V154 G155 L156 C161 R162 | V154-A158 WeakPolarHBondContact O-CB 3.32Å; V154-A158 PolarHBondContact O-N 3.36Å; G155-A158 PolarHBondContact O-N 2.86Å; L156-A158 PolarHBondContact O-N 3.28Å; A158-C161 PolarHBondContact O-N 2.88Å; A158-R162 VanDerWaalsContact O-CB 3.31Å; A158-R162 WeakPolarHBondContact O-CB 3.18Å; A158-R162 WeakPolarHBondContact O-CG 3.14Å; A158-R162 PolarHBondContact O-N 3.39Å |
| 159 | L | 73.9 | Confident | 65.2 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 174.8 | -172.3 | 134 | 0 | 0 | 0 | 111.1 | G155 L156 R162 R163 | G155-L159 WeakPolarHBondContact O-CB 3.25Å; G155-L159 PolarHBondContact O-N 2.88Å; L156-L159 PolarHBondContact O-N 3.19Å; L159-R162 PolarHBondContact O-N 2.95Å; L159-R163 VanDerWaalsContact O-CB 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.22Å; L159-R163 PolarHBondContact O-N 2.93Å |
| 160 | F | 67.8 | Low | 62.8 | Low | 76 Ų | 76 | 66.3 Ų | 66.3 | 33% | 0.333 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 170.9 | -86.2 | -72.7 | 0 | 0 | 0 | 111.8 | V20 A24 L156 G157 R162 R163 S164 | V20-F160 HydrophobicContact CG1-CE2 4.46Å; V20-F160 HydrophobicContact CG1-CZ 4.38Å; A24-F160 HydrophobicContact CB-CZ 4.41Å; L156-F160 HydrophobicContact CD1-CD2 3.87Å; L156-F160 HydrophobicContact CD1-CE2 3.48Å; L156-F160 VanDerWaalsContact CD1-CE2 3.48Å; L156-F160 HydrophobicContact CD2-CE2 4.1Å; L156-F160 HydrophobicContact CG-CD2 3.72Å; L156-F160 HydrophobicContact CG-CE2 3.53Å; L156-F160 WeakPolarHBondContact O-CB 3.42Å; L156-F160 WeakPolarHBondContact O-CD2 3.34Å; L156-F160 PolarHBondContact O-N 2.7Å; G157-F160 PolarHBondContact O-N 2.86Å; F160-R162 VanDerWaalsContact C-N 3.34Å; F160-R162 PolarHBondContact O-N 3.47Å; F160-R163 PolarHBondContact O-N 2.78Å; F160-S164 VanDerWaalsContact O-CB 3.23Å; F160-S164 WeakPolarHBondContact O-CB 3.46Å; F160-S164 PolarHBondContact O-N 2.92Å |
| 161 | C | 57.7 | Low | 60.4 | Low | 37 Ų | 37 | 70 Ų | 70 | 25% | 0.25 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.3 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | F79 L82 G157 A158 R163 S164 | F79-C161 HydrophobicContact CE1-CB 4.35Å; L82-C161 VanDerWaalsContact CD2-SG 3.53Å; G157-C161 WeakPolarHBondContact O-CB 3.23Å; G157-C161 PolarHBondContact O-N 2.85Å; G157-C161 PolarHBondContact O-SG 2.8Å; A158-C161 PolarHBondContact O-N 2.88Å; C161-R163 VanDerWaalsContact C-N 3.34Å; C161-S164 CarbonylContact O-C 3.6Å; C161-S164 PolarHBondContact O-N 2.8Å; C161-S164 VanDerWaalsContact O-O 3.13Å |
| 162 | R | 53.1 | Low | 58 | Low | 214 Ų | 214 | 71.6 Ų | 71.6 | 81% | 0.808 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.8 | -31 | 176.4 | -82.6 | 179.1 | 154.7 | 144.7 | -3.8 | 113.1 | A158 L159 F160 | A158-R162 VanDerWaalsContact O-CB 3.31Å; A158-R162 WeakPolarHBondContact O-CB 3.18Å; A158-R162 WeakPolarHBondContact O-CG 3.14Å; A158-R162 PolarHBondContact O-N 3.39Å; L159-R162 PolarHBondContact O-N 2.95Å; F160-R162 VanDerWaalsContact C-N 3.34Å; F160-R162 PolarHBondContact O-N 3.47Å |
| 163 | R | 53.7 | Low | 55.7 | Low | 170 Ų | 170 | 73.1 Ų | 73.1 | 64% | 0.642 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -84.1 | -12 | 177.3 | -165.9 | 170.9 | 178 | 155.5 | -2.7 | 112.7 | L159 F160 C161 | L159-R163 VanDerWaalsContact O-CB 3.25Å; L159-R163 WeakPolarHBondContact O-CB 3.22Å; L159-R163 PolarHBondContact O-N 2.93Å; F160-R163 PolarHBondContact O-N 2.78Å; C161-R163 VanDerWaalsContact C-N 3.34Å |
| 164 | S | 41.4 | Very low | 53.5 | Low | 57 Ų | 57 | 75 Ų | 75 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | trans | -115.2 | 89.4 | -179.6 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | F79 F160 C161 | F79-S164 WeakPolarHBondContact CZ-O 3.15Å; F160-S164 VanDerWaalsContact O-CB 3.23Å; F160-S164 WeakPolarHBondContact O-CB 3.46Å; F160-S164 PolarHBondContact O-N 2.92Å; C161-S164 CarbonylContact O-C 3.6Å; C161-S164 PolarHBondContact O-N 2.8Å; C161-S164 VanDerWaalsContact O-O 3.13Å | ||
| 165 | V | 46.3 | Very low | 51.5 | Low | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | trans | -128.9 | 108.3 | 167.1 | 175.4 | 0 | 0 | 0 | 0 | 103.7 | F224 | V165-F224 HydrophobicContact CB-CE1 4.26Å; V165-F224 WeakPolarHBondContact O-CD1 3.06Å; V165-F224 WeakPolarHBondContact O-CE1 3.45Å | ||
| 166 | S | 41.2 | Very low | 49.2 | Very low | 43 Ų | 43 | 84.2 Ų | 84.2 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | cis | 68.9 | 81.7 | 42.8 | -142.2 | 0 | 0 | 0 | 0 | 113.2 | H73 | H73-S166 PolarHBondContact O-OG 3.33Š| ||
| 167 | K | 39 | Very low | 47.1 | Very low | 76 Ų | 76 | 82.9 Ų | 82.9 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | trans | 96.6 | 116.4 | 157.3 | -141.2 | 179 | 176.1 | -176.4 | 0 | 117.1 | F71 E72 V169 | F71-K167 WeakPolarHBondContact O-CG 3.44Å; E72-K167 HydrophobicContact CG-CD 4.5Å; E72-K167 VanDerWaalsContact CG-CE 3.46Å; E72-K167 IonicContact OE1-NZ 2.62Å; E72-K167 PolarHBondContact OE1-NZ 3.07Å; E72-K167 WeakPolarHBondContact OE2-CE 3.31Å; E72-K167 IonicContact OE2-NZ 2.76Å; E72-K167 PolarHBondContact OE2-NZ 3.45Å; K167-V169 HydrophobicContact CD-CG2 4.34Å; K167-V169 HydrophobicContact CG-CG2 4.22Å | ||
| 168 | V | 38.3 | Very low | 45.2 | Very low | 89 Ų | 89 | 83.6 Ų | 83.6 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | trans | -116.7 | 113.8 | 165.8 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | V177 | V168-V177 HydrophobicContact CG1-CG1 4.26Š| ||
| 169 | V | 38.4 | Very low | 43.9 | Very low | 33 Ų | 33 | 85.3 Ų | 85.3 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.3 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | K167 | K167-V169 HydrophobicContact CD-CG2 4.34Å; K167-V169 HydrophobicContact CG-CG2 4.22Å |
| 170 | L | 36.8 | Very low | 42 | Very low | 98 Ų | 98 | 89.8 Ų | 89.8 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 110.2 | 173.9 | -149.6 | 78.5 | 0 | 0 | 0 | 108 | V177 | L170-V177 HydrophobicContact CD1-CG2 4.12Å |
| 171 | H | 35.8 | Very low | 40.4 | Very low | 79 Ų | 79 | 90.2 Ų | 90.2 | 37% | 0.366 | 47% | 0.468 | S | S | . | . | trans | -76.5 | 143.5 | 172.3 | -78.1 | -84.8 | 0 | 0 | 0 | 110.3 | G173 T178 | H171-G173 PolarHBondContact O-N 2.98Å; H171-T178 PolarHBondContact CD2-OG1 3.36Å | ||
| 172 | K | 33.8 | Very low | 39.4 | Very low | 87 Ų | 87 | 95.1 Ų | 95.1 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 129.2 | 178.6 | -81.3 | -171.6 | 165.1 | -176.1 | 0 | 111.3 | P64 K66 D67 | P64-K172 WeakPolarHBondContact O-CD 3.36Å; P64-K172 WeakPolarHBondContact O-CE 3.41Å; P64-K172 PolarHBondContact O-NZ 3.49Å; K66-K172 WeakPolarHBondContact O-CD 3.33Å; K66-K172 WeakPolarHBondContact O-CE 3.47Å; K66-K172 PolarHBondContact O-NZ 2.98Å; D67-K172 VanDerWaalsContact OD1-CB 3.29Å; D67-K172 WeakPolarHBondContact OD1-CB 3.2Å; D67-K172 PolarHBondContact OD1-N 3.42Å |
| 173 | G | 38.8 | Very low | 38.7 | Very low | 73 Ų | 73 | 87.6 Ų | 87.6 | 75% | 0.753 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.4 | -2.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H171 R175 | H171-G173 PolarHBondContact O-N 2.98Å; G173-R175 PolarHBondContact O-N 2.91Å |
| 174 | G | 39 | Very low | 37.9 | Very low | 60 Ų | 60 | 85.8 Ų | 85.8 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 59.1 | 22.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L197 | G174-L197 VanDerWaalsContact C-CD1 3.47Š|
| 175 | R | 39 | Very low | 38 | Very low | 202 Ų | 202 | 91.1 Ų | 91.1 | 76% | 0.762 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -131.4 | -10.3 | -177.7 | -139 | 168.7 | 71.2 | 167.6 | 1.4 | 115.8 | G173 | G173-R175 PolarHBondContact O-N 2.91Š|
| 176 | M | 33.5 | Very low | 37.5 | Very low | 88 Ų | 88 | 88.7 Ų | 88.7 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | trans | -145 | 127.2 | 179.3 | -63.4 | -75.3 | -94.2 | 0 | 0 | 110.7 | N194 | M176-N194 HydrophobicContact CE-CB 3.62Å; M176-N194 HydrophobicContact SD-CB 4.48Å | ||
| 177 | V | 37.1 | Very low | 37.6 | Very low | 28 Ų | 28 | 93.8 Ų | 93.8 | 17% | 0.17 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.3 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | V168 L170 V179 V195 L197 | V168-V177 HydrophobicContact CG1-CG1 4.26Å; L170-V177 HydrophobicContact CD1-CG2 4.12Å; V177-V179 HydrophobicContact CG1-CG2 4.44Å; V177-V195 PolarHBondContact N-O 2.97Å; V177-V195 PolarHBondContact O-N 3.06Å; V177-L197 HydrophobicContact CG2-CD1 3.85Å; V177-L197 HydrophobicContact CG2-CD2 4.08Å; V177-L197 HydrophobicContact CG2-CG 3.8Å |
| 178 | T | 37.5 | Very low | 37.9 | Very low | 23 Ų | 23 | 97.6 Ų | 97.6 | 14% | 0.141 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | H171 R180 T192 | H171-T178 PolarHBondContact CD2-OG1 3.36Å; T178-R180 PolarHBondContact O-N 3.13Å; T178-T192 HydrophobicContact CG2-CG2 3.39Å |
| 179 | V | 39 | Very low | 38.2 | Very low | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.467 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 105.8 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | V177 | V177-V179 HydrophobicContact CG1-CG2 4.44Å |
| 180 | R | 34.7 | Very low | 38.2 | Very low | 194 Ų | 194 | 103.9 Ų | 103.9 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.1 | 168.5 | -84.5 | -168.1 | 171.1 | 142.5 | -2.2 | 109.2 | T178 Q182 | T178-R180 PolarHBondContact O-N 3.13Å; R180-Q182 PolarHBondContact O-N 3.24Å |
| 181 | T | 33.6 | Very low | 38.3 | Very low | 85 Ų | 85 | 109.1 Ų | 109.1 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | trans | -75.9 | 114.4 | 167.3 | -2.2 | 0 | 0 | 0 | 0 | 107.9 | S183 G190 R191 | T181-S183 PolarHBondContact O-N 2.9Å; T181-G190 WeakPolarHBondContact O-CA 3.3Å; T181-R191 PolarHBondContact OG1-O 3.35Å | ||
| 182 | Q | 36.9 | Very low | 38.5 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | trans | -68 | 117.6 | 168.5 | -72.8 | -168 | 40.2 | 0 | 0 | 108.3 | R180 | R180-Q182 PolarHBondContact O-N 3.24Š| ||
| 183 | S | 38.1 | Very low | 38.7 | Very low | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 59% | 0.589 | S | S | . | * | trans | -88.8 | 132.3 | 171.5 | -160.8 | 0 | 0 | 0 | 0 | 108.1 | T181 L185 | T181-S183 PolarHBondContact O-N 2.9Å; S183-L185 PolarHBondContact O-N 3.47Å | ||
| 184 | P | 38.8 | Very low | 38.3 | Very low | 133 Ų | 133 | 109.5 Ų | 109.5 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 5.6 | -176.6 | 26.4 | -33.8 | 0 | 0 | 0 | 114.8 | ||
| 185 | L | 42.7 | Very low | 38.4 | Very low | 168 Ų | 168 | 110.8 Ų | 110.8 | 88% | 0.88 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 16 | -174.3 | -88.4 | 158.9 | 0 | 0 | 0 | 114.6 | S183 | S183-L185 PolarHBondContact O-N 3.47Š|
| 186 | G | 35.5 | Very low | 38.2 | Very low | 32 Ų | 32 | 105.6 Ų | 105.6 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | trans | 136.9 | 150 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D188 | G186-D188 PolarHBondContact O-N 3.48Š| ||
| 187 | P | 44.3 | Very low | 38.4 | Very low | 149 Ų | 149 | 105.2 Ų | 105.2 | 97% | 0.968 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -3.6 | -175.9 | 23.2 | -31.4 | 0 | 0 | 0 | 115.1 | ||
| 188 | D | 44.1 | Very low | 38.7 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 83% | 0.834 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 3.3 | -167.6 | -162.5 | 53.5 | 0 | 0 | 0 | 115.9 | G186 | G186-D188 PolarHBondContact O-N 3.48Š|
| 189 | R | 45.1 | Very low | 38.6 | Very low | 224 Ų | 224 | 117.4 Ų | 117.4 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | trans | -129.3 | 43.7 | 179.5 | -94.4 | -172.6 | -173.3 | 172.7 | 3.3 | 114.5 | ||||
| 190 | G | 38.3 | Very low | 38.4 | Very low | 31 Ų | 31 | 117.6 Ų | 117.6 | 32% | 0.32 | 62% | 0.622 | S | S | . | * | trans | -88.2 | 113.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T181 T192 | T181-G190 WeakPolarHBondContact O-CA 3.3Å; G190-T192 PolarHBondContact O-N 3.48Å | ||
| 191 | R | 39.1 | Very low | 38.4 | Very low | 207 Ų | 207 | 112.9 Ų | 112.9 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -59.5 | 121 | 173.6 | -170.5 | 173.1 | -176.4 | -172.2 | 0.8 | 109.3 | T181 | T181-R191 PolarHBondContact OG1-O 3.35Š| ||
| 192 | T | 38.7 | Very low | 38.5 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 44% | 0.436 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.9 | -179.4 | -62 | 0 | 0 | 0 | 0 | 109.1 | T178 G190 | T178-T192 HydrophobicContact CG2-CG2 3.39Å; G190-T192 PolarHBondContact O-N 3.48Å |
| 193 | I | 39.8 | Very low | 38.4 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.1 | 174.3 | -57 | 176.9 | 0 | 0 | 0 | 107.8 | V195 | I193-V195 HydrophobicContact CG2-CG2 4.21Å |
| 194 | N | 29.6 | Very low | 38.4 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 44% | 0.444 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 123.5 | 178.9 | -66.9 | -35.2 | 0 | 0 | 0 | 109.1 | M176 | M176-N194 HydrophobicContact CE-CB 3.62Å; M176-N194 HydrophobicContact SD-CB 4.48Å |
| 195 | V | 40.8 | Very low | 38.2 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 53% | 0.527 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.5 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 110 | V177 I193 | V177-V195 PolarHBondContact N-O 2.97Å; V177-V195 PolarHBondContact O-N 3.06Å; I193-V195 HydrophobicContact CG2-CG2 4.21Å |
| 196 | P | 34.7 | Very low | 38.4 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 60% | 0.597 | 66% | 0.66 | S | S | * | * | trans | -84.5 | 154.7 | -174.8 | 30.7 | -32.9 | 0 | 0 | 0 | 114.7 | N198 | P196-N198 PolarHBondContact O-N 3.11Š| ||
| 197 | L | 38.8 | Very low | 38.6 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 42% | 0.424 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -80.3 | 26 | -159.6 | -93.2 | 147.8 | 0 | 0 | 0 | 117.7 | G174 V177 | G174-L197 VanDerWaalsContact C-CD1 3.47Å; V177-L197 HydrophobicContact CG2-CD1 3.85Å; V177-L197 HydrophobicContact CG2-CD2 4.08Å; V177-L197 HydrophobicContact CG2-CG 3.8Å |
| 198 | N | 41.8 | Very low | 38 | Very low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -99.9 | 9.6 | -170.9 | -105.8 | 12.3 | 0 | 0 | 0 | 116.8 | P196 | P196-N198 PolarHBondContact O-N 3.11Š|
| 199 | Q | 36.7 | Very low | 37.4 | Very low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -139.3 | 18.2 | -174.4 | -68.8 | -169.6 | -7.3 | 0 | 0 | 116.4 | K218 | Q199-K218 VanDerWaalsContact O-CD 3.3Å; Q199-K218 WeakPolarHBondContact O-CD 3.45Å |
| 200 | V | 35.2 | Very low | 37.3 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | trans | -120.9 | 89 | 177.3 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | A | 34.5 | Very low | 37.2 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 68% | 0.676 | S | S | * | * | trans | -82.2 | 122.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 202 | C | 34.7 | Very low | 37.1 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | trans | -106.1 | 98.1 | 170.7 | -81.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 203 | H | 35.8 | Very low | 37.3 | Very low | 192 Ų | 192 | 122.5 Ų | 122.5 | 89% | 0.889 | 67% | 0.668 | S | S | * | * | trans | -69.4 | 123.5 | 151.4 | -97.8 | -92.1 | 0 | 0 | 0 | 108.1 | ||||
| 204 | A | 36.7 | Very low | 37.2 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | 172 | 135.2 | 122.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 205 | H | 34.6 | Very low | 37.7 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 81% | 0.81 | 67% | 0.665 | S | S | * | * | trans | -75.8 | 135.7 | -173.6 | -177.6 | 63.9 | 0 | 0 | 0 | 111.4 | Q207 | H205-Q207 PolarHBondContact O-N 2.93Å; H205-Q207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | R | 48.4 | Very low | 37.6 | Very low | 220 Ų | 220 | 125.1 Ų | 125.1 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -81 | 73.1 | -175.3 | -178.2 | -165.2 | -178.8 | 173.5 | 0.3 | 111 | ||
| 207 | Q | 40.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 125 Ų | 125 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | trans | -160.6 | 73.8 | 165 | -77.2 | -51.9 | -24.2 | 0 | 0 | 110.8 | H205 | H205-Q207 PolarHBondContact O-N 2.93Å; H205-Q207 VanDerWaalsContact O-N 3.14Å | ||
| 208 | E | 31 | Very low | 37.5 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 93% | 0.925 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -172.3 | 131.9 | 141.2 | -108.1 | 171.6 | 174.6 | 0 | 0 | 109 | ||
| 209 | S | 30.2 | Very low | 37.3 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -61.5 | 167.8 | -179.2 | -149 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 210 | P | 43 | Very low | 37.2 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 67% | 0.674 | S | S | * | * | cis | -133.6 | 167.1 | -4.3 | 26.7 | -2.1 | 0 | 0 | 0 | 115.5 | F212 | P210-F212 PolarHBondContact O-N 3.07Š| ||
| 211 | S | 37.7 | Very low | 37.1 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 48% | 0.483 | 69% | 0.694 | S | S | . | * | S | Bend | trans | 50.1 | 2.3 | 152.4 | -140.7 | 0 | 0 | 0 | 0 | 125.4 | ||
| 212 | F | 36.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 43% | 0.43 | 69% | 0.688 | S | S | . | * | trans | -146.6 | 124.5 | 167.2 | -92.8 | -78.1 | 0 | 0 | 0 | 111 | P210 P214 L225 | P210-F212 PolarHBondContact O-N 3.07Å; F212-P214 WeakPolarHBondContact O-CD 2.96Å; F212-L225 HydrophobicContact CD1-CB 3.78Å; F212-L225 HydrophobicContact CD1-CD2 3.65Å; F212-L225 HydrophobicContact CD1-CG 3.46Å; F212-L225 VanDerWaalsContact CD1-CG 3.46Å; F212-L225 HydrophobicContact CE1-CB 3.65Å; F212-L225 HydrophobicContact CE1-CD2 3.51Å; F212-L225 HydrophobicContact CE1-CG 3.66Å; F212-L225 HydrophobicContact CG-CD2 4.29Å; F212-L225 HydrophobicContact CG-CG 4.31Å; F212-L225 HydrophobicContact CZ-CD2 4.02Å | ||
| 213 | I | 43.6 | Very low | 37.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 62% | 0.621 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.8 | 95.1 | 173.2 | -61.5 | 170.9 | 0 | 0 | 0 | 107.3 | L215 | I213-L215 PolarHBondContact O-N 3.11Å |
| 214 | P | 37.6 | Very low | 37.8 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 112.7 | 175.5 | 29.4 | -32.9 | 0 | 0 | 0 | 110.1 | F212 R216 F224 | F212-P214 WeakPolarHBondContact O-CD 2.96Å; P214-R216 PolarHBondContact O-N 3.33Å; P214-F224 WeakPolarHBondContact CA-O 3.43Å |
| 215 | L | 39.2 | Very low | 38.2 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 41% | 0.414 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 108.2 | 171.8 | -71.7 | 171.1 | 0 | 0 | 0 | 109 | I213 F224 L226 | I213-L215 PolarHBondContact O-N 3.11Å; L215-F224 PolarHBondContact N-O 3.19Å; L215-L226 HydrophobicContact CD1-CD1 3.85Å; L215-L226 HydrophobicContact CD1-CD2 4.36Å; L215-L226 HydrophobicContact CG-CD1 4.37Å |
| 216 | R | 39.9 | Very low | 38.6 | Very low | 171 Ų | 171 | 123 Ų | 123 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | trans | -88.3 | 113.6 | 170 | -70.9 | -167.7 | -172.5 | -167.3 | -0.4 | 109.5 | P214 Y223 | P214-R216 PolarHBondContact O-N 3.33Å; R216-Y223 HydrophobicContact CG-CD1 4.25Å; R216-Y223 HydrophobicContact CG-CE1 4.01Å; R216-Y223 VanDerWaalsContact CZ-CE1 3.44Å; R216-Y223 PolarHBondContact NE-OH 3.49Å; R216-Y223 PolarHBondContact NH1-OH 3.11Å; R216-Y223 PolarHBondContact NH2-OH 2.84Å | ||
| 217 | I | 38.3 | Very low | 38.2 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 46% | 0.456 | 60% | 0.597 | S | S | . | * | trans | -94 | 125.8 | 171 | -58.8 | 167.5 | 0 | 0 | 0 | 107.6 | G219 F224 | I217-G219 PolarHBondContact O-N 2.91Å; I217-F224 HydrophobicContact CD1-CD2 4.26Å; I217-F224 HydrophobicContact CD1-CE2 4Å | ||
| 218 | K | 31.4 | Very low | 38 | Very low | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 116.5 | 176.8 | -158.5 | 177.6 | -174.4 | 178.1 | 0 | 108.7 | Q199 | Q199-K218 VanDerWaalsContact O-CD 3.3Å; Q199-K218 WeakPolarHBondContact O-CD 3.45Å |
| 219 | G | 38.5 | Very low | 38.5 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.4 | -13.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117 | I217 | I217-G219 PolarHBondContact O-N 2.91Š|
| 220 | H | 35.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 110.5 Ų | 110.5 | 79% | 0.787 | 56% | 0.557 | S | S | * | * | trans | -141.6 | 140.9 | 174.5 | -77 | -68.9 | 0 | 0 | 0 | 112.7 | L222 | H220-L222 PolarHBondContact O-N 3.38Š| ||
| 221 | R | 33.2 | Very low | 38.4 | Very low | 242 Ų | 242 | 112.4 Ų | 112.4 | 91% | 0.913 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -65.9 | 9.9 | -173.8 | -93.1 | -174.2 | 177.2 | 176 | -0.4 | 116.1 | ||
| 222 | L | 37.2 | Very low | 38.4 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | trans | -107.6 | 108.4 | -168.8 | -63.1 | 172.5 | 0 | 0 | 0 | 110.9 | H220 F224 | H220-L222 PolarHBondContact O-N 3.38Å; L222-F224 WeakPolarHBondContact O-CD2 3.22Å; L222-F224 PolarHBondContact O-N 2.82Å | ||
| 223 | Y | 37.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | trans | -76 | 113.3 | 176.9 | -75.4 | -109.3 | 0 | 0 | 0 | 109.9 | R216 L225 | R216-Y223 HydrophobicContact CG-CD1 4.25Å; R216-Y223 HydrophobicContact CG-CE1 4.01Å; R216-Y223 VanDerWaalsContact CZ-CE1 3.44Å; R216-Y223 PolarHBondContact NE-OH 3.49Å; R216-Y223 PolarHBondContact NH1-OH 3.11Å; R216-Y223 PolarHBondContact NH2-OH 2.84Å; Y223-L225 PolarHBondContact O-N 3.5Å | ||
| 224 | F | 44.3 | Very low | 38.1 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 30% | 0.303 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 110.6 | 175.4 | -71.7 | -89.2 | 0 | 0 | 0 | 109.7 | V165 P214 L215 I217 L222 L226 | V165-F224 HydrophobicContact CB-CE1 4.26Å; V165-F224 WeakPolarHBondContact O-CD1 3.06Å; V165-F224 WeakPolarHBondContact O-CE1 3.45Å; P214-F224 WeakPolarHBondContact CA-O 3.43Å; L215-F224 PolarHBondContact N-O 3.19Å; I217-F224 HydrophobicContact CD1-CD2 4.26Å; I217-F224 HydrophobicContact CD1-CE2 4Å; L222-F224 WeakPolarHBondContact O-CD2 3.22Å; L222-F224 PolarHBondContact O-N 2.82Å; F224-L226 HydrophobicContact CB-CD1 4.26Å |
| 225 | L | 44.3 | Very low | 38.5 | Very low | 72 Ų | 72 | 115 Ų | 115 | 38% | 0.377 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 107.4 | 171.3 | -101.8 | 71.7 | 0 | 0 | 0 | 108.3 | F212 Y223 | F212-L225 HydrophobicContact CD1-CB 3.78Å; F212-L225 HydrophobicContact CD1-CD2 3.65Å; F212-L225 HydrophobicContact CD1-CG 3.46Å; F212-L225 VanDerWaalsContact CD1-CG 3.46Å; F212-L225 HydrophobicContact CE1-CB 3.65Å; F212-L225 HydrophobicContact CE1-CD2 3.51Å; F212-L225 HydrophobicContact CE1-CG 3.66Å; F212-L225 HydrophobicContact CG-CD2 4.29Å; F212-L225 HydrophobicContact CG-CG 4.31Å; F212-L225 HydrophobicContact CZ-CD2 4.02Å; Y223-L225 PolarHBondContact O-N 3.5Å |
| 226 | L | 43.3 | Very low | 38.6 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 38% | 0.377 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 116.2 | 174.3 | -87.5 | 76.4 | 0 | 0 | 0 | 109.7 | L215 F224 | L215-L226 HydrophobicContact CD1-CD1 3.85Å; L215-L226 HydrophobicContact CD1-CD2 4.36Å; L215-L226 HydrophobicContact CG-CD1 4.37Å; F224-L226 HydrophobicContact CB-CD1 4.26Å |
| 227 | D | 39.6 | Very low | 38.9 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | trans | -79.5 | 146 | 173.6 | -166.5 | 8.8 | 0 | 0 | 0 | 111.2 | D229 | D227-D229 PolarHBondContact O-N 3.05Š| ||
| 228 | K | 36.9 | Very low | 39.1 | Very low | 157 Ų | 157 | 119 Ų | 119 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -92.7 | 21.1 | -152 | -140.1 | -159.8 | -178.7 | -168.3 | 0 | 115.7 | ||
| 229 | D | 41.7 | Very low | 39.8 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -116.9 | 75.2 | -179.6 | -79.3 | -29.6 | 0 | 0 | 0 | 112.5 | H73 D227 | H73-D229 PolarHBondContact CE1-O 3.13Å; D227-D229 PolarHBondContact O-N 3.05Å | ||
| 230 | G | 35.3 | Very low | 40.2 | Very low | 28 Ų | 28 | 120.1 Ų | 120.1 | 29% | 0.289 | 60% | 0.6 | S | S | . | * | trans | -143.4 | 118.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V232 | G230-V232 PolarHBondContact O-N 2.88Š| ||
| 231 | T | 34.6 | Very low | 40.7 | Very low | 148 Ų | 148 | 117 Ų | 117 | 91% | 0.908 | 59% | 0.594 | S | S | * | * | trans | -59.3 | 113.1 | 178.4 | 30.8 | 0 | 0 | 0 | 0 | 111.3 | N233 | T231-N233 PolarHBondContact O-N 2.99Å; T231-N233 VanDerWaalsContact O-N 3.13Å | ||
| 232 | V | 37.7 | Very low | 41.3 | Very low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.655 | 58% | 0.577 | S | S | * | * | trans | -77.1 | 96.3 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | G230 N234 | G230-V232 PolarHBondContact O-N 2.88Å; V232-N234 PolarHBondContact O-N 2.9Å | ||
| 233 | N | 34.8 | Very low | 41.4 | Very low | 148 Ų | 148 | 106.9 Ų | 106.9 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -82 | 116 | 169.6 | -152.6 | -42.2 | 0 | 0 | 0 | 108.9 | T231 | T231-N233 PolarHBondContact O-N 2.99Å; T231-N233 VanDerWaalsContact O-N 3.13Å |
| 234 | N | 40 | Very low | 41.4 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | trans | 77 | 65.2 | 178 | -82 | -42.1 | 0 | 0 | 0 | 119.1 | V232 R236 L237 | V232-N234 PolarHBondContact O-N 2.9Å; N234-R236 PolarHBondContact O-N 2.77Å; N234-L237 HydrophobicContact CB-CD1 4.38Å | ||
| 235 | A | 45.1 | Very low | 41 | Very low | 58 Ų | 58 | 111.9 Ų | 111.9 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -57.4 | -26.9 | 162 | 0 | 0 | 0 | 0 | 0 | 114.1 | L237 F238 D239 | A235-L237 PolarHBondContact O-N 3.46Å; A235-F238 PolarHBondContact O-N 2.93Å; A235-D239 PolarHBondContact O-N 2.93Å |
| 236 | R | 41.6 | Very low | 40.7 | Very low | 209 Ų | 209 | 118.4 Ų | 118.4 | 79% | 0.789 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.2 | -26.2 | -176 | -76.2 | -170.2 | 178.7 | -167 | 0.7 | 114.8 | N234 I240 | N234-R236 PolarHBondContact O-N 2.77Å; R236-I240 WeakPolarHBondContact O-CD1 3.45Å; R236-I240 WeakPolarHBondContact O-CG1 3.15Å |
| 237 | L | 45.3 | Very low | 40.3 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 61% | 0.607 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82 | -20.5 | 178.2 | -74.5 | 169.2 | 0 | 0 | 0 | 112.5 | N234 A235 T241 | N234-L237 HydrophobicContact CB-CD1 4.38Å; A235-L237 PolarHBondContact O-N 3.46Å; L237-T241 PolarHBondContact O-OG1 3.34Å |
| 238 | F | 43.7 | Very low | 40.2 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 44% | 0.439 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -79.3 | -40.3 | 178.4 | -149 | -97.4 | 0 | 0 | 0 | 111.4 | L70 A235 I240 T241 V242 | L70-F238 HydrophobicContact CD1-CD2 4.31Å; L70-F238 HydrophobicContact CD1-CE2 4.5Å; L70-F238 HydrophobicContact CD2-CD2 4.01Å; L70-F238 HydrophobicContact CD2-CE2 3.69Å; A235-F238 PolarHBondContact O-N 2.93Å; F238-I240 VanDerWaalsContact C-N 3.29Å; F238-I240 PolarHBondContact O-N 2.74Å; F238-T241 PolarHBondContact O-N 2.81Å; F238-V242 HydrophobicContact CD1-CB 4.38Å; F238-V242 HydrophobicContact CD1-CG2 3.78Å; F238-V242 HydrophobicContact CD2-CG2 4.38Å; F238-V242 HydrophobicContact CE1-CB 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.45Å; F238-V242 HydrophobicContact CE1-CG2 3.69Å; F238-V242 HydrophobicContact CE2-CG2 4.28Å; F238-V242 HydrophobicContact CG-CG2 4.14Å; F238-V242 HydrophobicContact CZ-CG2 3.95Å; F238-V242 WeakPolarHBondContact O-CB 3.35Å; F238-V242 VanDerWaalsContact O-CG2 3.3Å; F238-V242 WeakPolarHBondContact O-CG2 3.49Å; F238-V242 PolarHBondContact O-N 2.95Å |
| 239 | D | 44.8 | Very low | 40.3 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 60% | 0.599 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.4 | -31.5 | 178.5 | -75.4 | -15.9 | 0 | 0 | 0 | 112.8 | A235 G243 | A235-D239 PolarHBondContact O-N 2.93Å; D239-G243 PolarHBondContact O-N 3.14Å |
| 240 | I | 46.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.5 | -25.1 | -177.8 | -62.2 | 171.6 | 0 | 0 | 0 | 112.3 | R236 F238 | R236-I240 WeakPolarHBondContact O-CD1 3.45Å; R236-I240 WeakPolarHBondContact O-CG1 3.15Å; F238-I240 VanDerWaalsContact C-N 3.29Å; F238-I240 PolarHBondContact O-N 2.74Å |
| 241 | T | 47.5 | Very low | 40.5 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -101.9 | -24.6 | -176.6 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | L237 F238 | L237-T241 PolarHBondContact O-OG1 3.34Å; F238-T241 PolarHBondContact O-N 2.81Å |
| 242 | V | 45.7 | Very low | 40.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -101 | -13 | -177 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | F238 A244 | F238-V242 HydrophobicContact CD1-CB 4.38Å; F238-V242 HydrophobicContact CD1-CG2 3.78Å; F238-V242 HydrophobicContact CD2-CG2 4.38Å; F238-V242 HydrophobicContact CE1-CB 4.33Å; F238-V242 HydrophobicContact CE1-CG1 4.45Å; F238-V242 HydrophobicContact CE1-CG2 3.69Å; F238-V242 HydrophobicContact CE2-CG2 4.28Å; F238-V242 HydrophobicContact CG-CG2 4.14Å; F238-V242 HydrophobicContact CZ-CG2 3.95Å; F238-V242 WeakPolarHBondContact O-CB 3.35Å; F238-V242 VanDerWaalsContact O-CG2 3.3Å; F238-V242 WeakPolarHBondContact O-CG2 3.49Å; F238-V242 PolarHBondContact O-N 2.95Å; V242-A244 PolarHBondContact O-N 2.76Å |
| 243 | G | 38.2 | Very low | 41.1 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | trans | -78.4 | -5.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D239 Y245 | D239-G243 PolarHBondContact O-N 3.14Å; G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 3Å | ||
| 244 | A | 38.3 | Very low | 41.5 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | trans | -87.6 | 67.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V242 R246 | V242-A244 PolarHBondContact O-N 2.76Å; A244-R246 PolarHBondContact O-N 3.47Å | ||
| 245 | Y | 35.1 | Very low | 41.6 | Very low | 202 Ų | 202 | 132.5 Ų | 132.5 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -55.1 | 113.3 | 165.5 | -167.3 | -97.1 | 0 | 0 | 0 | 109.1 | G243 P247 | G243-Y245 VanDerWaalsContact C-N 3.27Å; G243-Y245 PolarHBondContact O-N 3Å; Y245-P247 HydrophobicContact CE1-CB 4.08Å | ||
| 246 | R | 37.9 | Very low | 41.3 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 79% | 0.789 | 70% | 0.699 | S | S | * | * | trans | -104 | 115.4 | 159.7 | -88.8 | -174.6 | -178.3 | 178 | 1.8 | 107.5 | A244 | A244-R246 PolarHBondContact O-N 3.47Š| ||
| 247 | P | 36 | Very low | 41.3 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 69% | 0.691 | S | S | * | * | trans | -67.6 | 140.1 | 170.4 | 28.3 | -30.7 | 0 | 0 | 0 | 109.2 | Y245 | Y245-P247 HydrophobicContact CE1-CB 4.08Š| ||
| 248 | F | 36.1 | Very low | 40.9 | Very low | 270 Ų | 270 | 133.8 Ų | 133.8 | 100% | 1.184 | 70% | 0.699 | S | S | * | * | trans | -106.4 | 0 | 151.8 | -51.6 | -75.7 | 0 | 0 | 0 | 106.6 |
Retrieved 248 of 248 residues in 33.7 ms
(Link to these results)