| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.3 | Very low | 45.5 | Very low | 201 Ų | 201 | 114.2 Ų | 114.2 | 99% | 0.99 | 55% | 0.551 | S | S | * | * | 0 | -58.8 | 0 | -73.5 | -65.3 | -166.5 | 0 | 0 | 111.8 | Y3 V4 I5 | M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.77Å; M1-V4 PolarHBondContact O-N 3.37Å; M1-I5 PolarHBondContact O-N 3.48Å | |||
| 2 | L | 35.6 | Very low | 46.1 | Very low | 153 Ų | 153 | 113.8 Ų | 113.8 | 80% | 0.801 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -55.5 | -40 | 179.6 | -79.2 | 152.2 | 0 | 0 | 0 | 114.5 | V4 I5 S6 | L2-V4 VanDerWaalsContact C-N 3.32Å; L2-V4 PolarHBondContact O-N 2.89Å; L2-I5 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-N 3.13Å |
| 3 | Y | 39.4 | Very low | 46.8 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 54% | 0.541 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 178.4 | -170.4 | -90.1 | 0 | 0 | 0 | 113.8 | M1 I5 S6 E7 | M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.77Å; Y3-I5 VanDerWaalsContact C-N 3.32Å; Y3-S6 PolarHBondContact O-N 3.3Å; Y3-S6 PolarHBondContact O-OG 2.8Å; Y3-E7 HydrophobicContact CD1-CG 4.04Å; Y3-E7 HydrophobicContact CE1-CG 3.63Å; Y3-E7 VanDerWaalsContact CZ-OE1 3.27Å; Y3-E7 VanDerWaalsContact O-CG 3.27Å; Y3-E7 WeakPolarHBondContact O-CG 3.44Å; Y3-E7 PolarHBondContact O-N 2.7Å; Y3-E7 VanDerWaalsContact O-N 3.12Å; Y3-E7 PolarHBondContact OH-OE1 3.15Å |
| 4 | V | 38.5 | Very low | 47.2 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -32.3 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | M1 L2 L8 | M1-V4 PolarHBondContact O-N 3.37Å; L2-V4 VanDerWaalsContact C-N 3.32Å; L2-V4 PolarHBondContact O-N 2.89Å; V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 3.29Å |
| 5 | I | 43.5 | Very low | 47.5 | Very low | 112 Ų | 112 | 112.2 Ų | 112.2 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | 177.6 | -61.4 | 170.9 | 0 | 0 | 0 | 110.4 | M1 L2 Y3 L8 F9 | M1-I5 PolarHBondContact O-N 3.48Å; L2-I5 PolarHBondContact O-N 3.05Å; Y3-I5 VanDerWaalsContact C-N 3.32Å; I5-L8 PolarHBondContact O-N 2.84Å; I5-F9 VanDerWaalsContact O-CB 3.29Å; I5-F9 WeakPolarHBondContact O-CB 3.39Å; I5-F9 PolarHBondContact O-N 3.32Å |
| 6 | S | 49.3 | Very low | 47.6 | Very low | 13 Ų | 13 | 114.6 Ų | 114.6 | 9% | 0.091 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 176.9 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | L2 Y3 F9 F10 F55 E59 | L2-S6 PolarHBondContact O-N 3.13Å; Y3-S6 PolarHBondContact O-N 3.3Å; Y3-S6 PolarHBondContact O-OG 2.8Å; S6-F9 PolarHBondContact O-N 3.02Å; S6-F10 VanDerWaalsContact O-CB 3.32Å; S6-F10 WeakPolarHBondContact O-CB 3.38Å; S6-F10 PolarHBondContact O-N 3.47Å; S6-F55 VanDerWaalsContact CB-CE1 3.43Å; S6-E59 PolarHBondContact OG-OE1 3.46Å |
| 7 | E | 50.5 | Low | 47.9 | Very low | 92 Ų | 92 | 109.7 Ų | 109.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 173.3 | -71.1 | -75.1 | 176.4 | 0 | 0 | 112 | Y3 F10 F11 | Y3-E7 HydrophobicContact CD1-CG 4.04Å; Y3-E7 HydrophobicContact CE1-CG 3.63Å; Y3-E7 VanDerWaalsContact CZ-OE1 3.27Å; Y3-E7 VanDerWaalsContact O-CG 3.27Å; Y3-E7 WeakPolarHBondContact O-CG 3.44Å; Y3-E7 PolarHBondContact O-N 2.7Å; Y3-E7 VanDerWaalsContact O-N 3.12Å; Y3-E7 PolarHBondContact OH-OE1 3.15Å; E7-F10 PolarHBondContact O-N 3.23Å; E7-F11 VanDerWaalsContact O-CB 3.27Å; E7-F11 WeakPolarHBondContact O-CB 3.45Å; E7-F11 PolarHBondContact O-N 3.37Å |
| 8 | L | 47.7 | Very low | 47.9 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | -96.3 | 153.8 | 0 | 0 | 0 | 112.3 | V4 I5 F11 L12 | V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 3.29Å; I5-L8 PolarHBondContact O-N 2.84Å; L8-F11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.16Å; L8-L12 PolarHBondContact O-N 2.88Å |
| 9 | F | 50.4 | Low | 47.9 | Very low | 120 Ų | 120 | 107.3 Ų | 107.3 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -45 | 178 | -173.1 | -97.7 | 0 | 0 | 0 | 110.9 | I5 S6 F11 L12 V13 | I5-F9 VanDerWaalsContact O-CB 3.29Å; I5-F9 WeakPolarHBondContact O-CB 3.39Å; I5-F9 PolarHBondContact O-N 3.32Å; S6-F9 PolarHBondContact O-N 3.02Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F9-F11 PolarHBondContact O-N 2.78Å; F9-L12 PolarHBondContact O-N 2.84Å; F9-V13 HydrophobicContact CD1-CG2 4.04Å; F9-V13 HydrophobicContact CE1-CG2 3.74Å; F9-V13 HydrophobicContact CE2-CG2 4.34Å; F9-V13 HydrophobicContact CG-CG2 4.47Å; F9-V13 HydrophobicContact CZ-CG2 3.9Å; F9-V13 WeakPolarHBondContact O-CB 3.35Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.48Å; F9-V13 PolarHBondContact O-N 3.07Å |
| 10 | F | 53.4 | Low | 47.8 | Very low | 112 Ų | 112 | 105.4 Ų | 105.4 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.4 | -173.2 | -95.2 | 0 | 0 | 0 | 111.3 | S6 E7 L12 V13 Y14 | S6-F10 VanDerWaalsContact O-CB 3.32Å; S6-F10 WeakPolarHBondContact O-CB 3.38Å; S6-F10 PolarHBondContact O-N 3.47Å; E7-F10 PolarHBondContact O-N 3.23Å; F10-L12 PolarHBondContact O-N 2.86Å; F10-V13 PolarHBondContact O-N 3.16Å; F10-Y14 WeakPolarHBondContact O-CB 3.25Å; F10-Y14 PolarHBondContact O-N 3.28Å |
| 11 | F | 52.7 | Low | 47.7 | Very low | 128 Ų | 128 | 103.5 Ų | 103.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 177.6 | -169.1 | -95.3 | 0 | 0 | 0 | 112.4 | E7 L8 F9 R15 | E7-F11 VanDerWaalsContact O-CB 3.27Å; E7-F11 WeakPolarHBondContact O-CB 3.45Å; E7-F11 PolarHBondContact O-N 3.37Å; L8-F11 PolarHBondContact O-N 3.43Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F9-F11 PolarHBondContact O-N 2.78Å; F11-R15 WeakPolarHBondContact O-CB 3.46Å; F11-R15 PolarHBondContact O-N 3.44Å |
| 12 | L | 52.8 | Low | 47.9 | Very low | 110 Ų | 110 | 97.4 Ų | 97.4 | 58% | 0.576 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 177.5 | -76.1 | 169.4 | 0 | 0 | 0 | 112.1 | L8 F9 F10 R15 Y16 | L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.16Å; L8-L12 PolarHBondContact O-N 2.88Å; F9-L12 PolarHBondContact O-N 2.84Å; F10-L12 PolarHBondContact O-N 2.86Å; L12-R15 PolarHBondContact O-N 2.89Å; L12-Y16 WeakPolarHBondContact O-CB 3.47Å; L12-Y16 PolarHBondContact O-N 2.92Å |
| 13 | V | 54.8 | Low | 48.2 | Very low | 28 Ų | 28 | 92.4 Ų | 92.4 | 17% | 0.17 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | F9 F10 Y16 C17 S48 | F9-V13 HydrophobicContact CD1-CG2 4.04Å; F9-V13 HydrophobicContact CE1-CG2 3.74Å; F9-V13 HydrophobicContact CE2-CG2 4.34Å; F9-V13 HydrophobicContact CG-CG2 4.47Å; F9-V13 HydrophobicContact CZ-CG2 3.9Å; F9-V13 WeakPolarHBondContact O-CB 3.35Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.48Å; F9-V13 PolarHBondContact O-N 3.07Å; F10-V13 PolarHBondContact O-N 3.16Å; V13-Y16 PolarHBondContact O-N 3.37Å; V13-C17 PolarHBondContact O-N 3.04Å; V13-S48 WeakPolarHBondContact CG1-OG 3.49Å |
| 14 | Y | 53.2 | Low | 48.2 | Very low | 117 Ų | 117 | 89.8 Ų | 89.8 | 46% | 0.459 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.7 | -177.9 | -93.7 | 0 | 0 | 0 | 111.6 | F10 Y16 C17 F18 | F10-Y14 WeakPolarHBondContact O-CB 3.25Å; F10-Y14 PolarHBondContact O-N 3.28Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 3.48Å; Y14-C17 PolarHBondContact O-N 3.47Å; Y14-F18 HydrophobicContact CE1-CB 4.27Å; Y14-F18 HydrophobicContact CE1-CG 4.4Å; Y14-F18 WeakPolarHBondContact O-CB 3.36Å; Y14-F18 PolarHBondContact O-N 3.22Å |
| 15 | R | 51.5 | Low | 48.3 | Very low | 172 Ų | 172 | 96.1 Ų | 96.1 | 65% | 0.649 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 176.4 | -116.5 | -159.4 | 167 | -169.2 | -2.3 | 111.9 | F11 L12 S19 | F11-R15 WeakPolarHBondContact O-CB 3.46Å; F11-R15 PolarHBondContact O-N 3.44Å; L12-R15 PolarHBondContact O-N 2.89Å; R15-S19 WeakPolarHBondContact O-CA 3.28Å; R15-S19 WeakPolarHBondContact O-CB 3.35Å; R15-S19 PolarHBondContact O-N 3.47Å |
| 16 | Y | 49.7 | Very low | 48.1 | Very low | 150 Ų | 150 | 98.2 Ų | 98.2 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 178 | -171.5 | -96 | 0 | 0 | 0 | 111.7 | L12 V13 Y14 N20 | L12-Y16 WeakPolarHBondContact O-CB 3.47Å; L12-Y16 PolarHBondContact O-N 2.92Å; V13-Y16 PolarHBondContact O-N 3.37Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-Y16 PolarHBondContact O-N 3.48Å; Y16-N20 WeakPolarHBondContact O-CB 3.47Å; Y16-N20 PolarHBondContact O-N 3.35Å |
| 17 | C | 51.4 | Low | 47.7 | Very low | 32 Ų | 32 | 102.8 Ų | 102.8 | 22% | 0.216 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | 177.7 | -79.2 | 0 | 0 | 0 | 0 | 113.1 | V13 Y14 S21 S48 | V13-C17 PolarHBondContact O-N 3.04Å; Y14-C17 PolarHBondContact O-N 3.47Å; C17-S21 WeakPolarHBondContact O-CB 3.34Å; C17-S21 PolarHBondContact O-N 3.44Å; C17-S21 VanDerWaalsContact O-N 3.08Å; C17-S48 PolarHBondContact SG-OG 2.84Å |
| 18 | F | 49 | Very low | 47.2 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.4 | -38.4 | -175.9 | -164.2 | -102.1 | 0 | 0 | 0 | 112.7 | Y14 N20 S21 N22 | Y14-F18 HydrophobicContact CE1-CB 4.27Å; Y14-F18 HydrophobicContact CE1-CG 4.4Å; Y14-F18 WeakPolarHBondContact O-CB 3.36Å; Y14-F18 PolarHBondContact O-N 3.22Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.93Å; F18-S21 PolarHBondContact O-N 3.08Å; F18-S21 VanDerWaalsContact O-N 3.12Å; F18-N22 WeakPolarHBondContact CE1-ND2 3.24Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.4Å; F18-N22 PolarHBondContact O-N 2.89Å; F18-N22 VanDerWaalsContact O-N 3.09Å |
| 19 | S | 47.9 | Very low | 46.8 | Very low | 75 Ų | 75 | 109 Ų | 109 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.2 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | R15 T23 | R15-S19 WeakPolarHBondContact O-CA 3.28Å; R15-S19 WeakPolarHBondContact O-CB 3.35Å; R15-S19 PolarHBondContact O-N 3.47Å; S19-T23 WeakPolarHBondContact O-CG2 3.29Å; S19-T23 PolarHBondContact O-N 3.35Å; S19-T23 PolarHBondContact O-OG1 2.84Å |
| 20 | N | 45.4 | Very low | 46.3 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.7 | -18.5 | 173.6 | -89.4 | -24.2 | 0 | 0 | 0 | 114.9 | Y16 F18 T23 N24 | Y16-N20 WeakPolarHBondContact O-CB 3.47Å; Y16-N20 PolarHBondContact O-N 3.35Å; F18-N20 VanDerWaalsContact C-N 3.3Å; F18-N20 PolarHBondContact O-N 2.93Å; N20-T23 WeakPolarHBondContact CA-OG1 3.23Å; N20-T23 PolarHBondContact O-OG1 3.45Å; N20-N24 PolarHBondContact O-ND2 2.66Å; N20-N24 VanDerWaalsContact O-ND2 3.16Å |
| 21 | S | 46 | Very low | 45.8 | Very low | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.8 | -37.7 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | C17 F18 N24 | C17-S21 WeakPolarHBondContact O-CB 3.34Å; C17-S21 PolarHBondContact O-N 3.44Å; C17-S21 VanDerWaalsContact O-N 3.08Å; F18-S21 PolarHBondContact O-N 3.08Å; F18-S21 VanDerWaalsContact O-N 3.12Å; S21-N24 PolarHBondContact O-N 2.92Å |
| 22 | N | 43.7 | Very low | 45.6 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 39% | 0.39 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -82.2 | -24.7 | -178.5 | -76.6 | -18.5 | 0 | 0 | 0 | 114 | F18 N24 R25 L26 | F18-N22 WeakPolarHBondContact CE1-ND2 3.24Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.4Å; F18-N22 PolarHBondContact O-N 2.89Å; F18-N22 VanDerWaalsContact O-N 3.09Å; N22-N24 PolarHBondContact O-N 2.91Å; N22-R25 PolarHBondContact O-N 2.93Å; N22-L26 PolarHBondContact O-N 2.92Å |
| 23 | T | 42.4 | Very low | 45.6 | Very low | 48 Ų | 48 | 111.1 Ų | 111.1 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -23.1 | 169.7 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | S19 N20 R25 L26 I27 | S19-T23 WeakPolarHBondContact O-CG2 3.29Å; S19-T23 PolarHBondContact O-N 3.35Å; S19-T23 PolarHBondContact O-OG1 2.84Å; N20-T23 WeakPolarHBondContact CA-OG1 3.23Å; N20-T23 PolarHBondContact O-OG1 3.45Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 2.9Å; T23-L26 PolarHBondContact O-N 2.7Å; T23-I27 WeakPolarHBondContact O-CB 3.13Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.23Å; T23-I27 PolarHBondContact O-N 3.26Å |
| 24 | N | 39.6 | Very low | 45.7 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76 | -13.3 | 175.8 | -68.6 | -30.9 | 0 | 0 | 0 | 114.3 | N20 S21 N22 R41 | N20-N24 PolarHBondContact O-ND2 2.66Å; N20-N24 VanDerWaalsContact O-ND2 3.16Å; S21-N24 PolarHBondContact O-N 2.92Å; N22-N24 PolarHBondContact O-N 2.91Å; N24-R41 PolarHBondContact OD1-NH1 3.08Å |
| 25 | R | 40 | Very low | 45.9 | Very low | 223 Ų | 223 | 112.9 Ų | 112.9 | 84% | 0.842 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -95.6 | -22.3 | 172.6 | -88 | -175.2 | 171.6 | 178.6 | -2.6 | 113.4 | N22 T23 | N22-R25 PolarHBondContact O-N 2.93Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 2.9Å |
| 26 | L | 38.5 | Very low | 45.8 | Very low | 155 Ų | 155 | 110 Ų | 110 | 81% | 0.812 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -97.9 | -15.5 | 177.4 | -82.7 | 148.8 | 0 | 0 | 0 | 113.7 | N22 T23 | N22-L26 PolarHBondContact O-N 2.92Å; T23-L26 PolarHBondContact O-N 2.7Å |
| 27 | I | 42 | Very low | 45.9 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | trans | -109.6 | 59 | 173.5 | -47.6 | 168.9 | 0 | 0 | 0 | 108.7 | T23 | T23-I27 WeakPolarHBondContact O-CB 3.13Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.23Å; T23-I27 PolarHBondContact O-N 3.26Å | ||
| 28 | K | 39.3 | Very low | 46 | Very low | 188 Ų | 188 | 104.8 Ų | 104.8 | 82% | 0.817 | 58% | 0.576 | S | S | * | * | trans | -109.2 | 26.4 | 166.9 | -146.3 | -179.9 | -176.7 | -175.4 | 0 | 111.6 | ||||
| 29 | V | 39.3 | Very low | 45.9 | Very low | 133 Ų | 133 | 104.8 Ų | 104.8 | 81% | 0.806 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -138.9 | 101.9 | 174.1 | -169.1 | 0 | 0 | 0 | 0 | 106.2 | ||
| 30 | G | 40.2 | Very low | 45.8 | Very low | 80 Ų | 80 | 106.5 Ų | 106.5 | 83% | 0.825 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 117.9 | 8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||
| 31 | S | 43.3 | Very low | 45.9 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | trans | -149.8 | 136.4 | 162.6 | 79.2 | 0 | 0 | 0 | 0 | 113.4 | S33 | S31-S33 PolarHBondContact O-N 3.36Š| ||
| 32 | R | 46.8 | Very low | 46.2 | Very low | 248 Ų | 248 | 113.8 Ų | 113.8 | 94% | 0.936 | 59% | 0.593 | S | S | * | * | trans | -62.7 | 94.8 | 177 | -68.4 | 180 | 177.6 | -175.9 | -1 | 108.8 | T34 | R32-T34 PolarHBondContact O-N 3.45Å; R32-T34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | S | 53.9 | Low | 46.4 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | trans | -64 | 112 | 169.7 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | S31 | S31-S33 PolarHBondContact O-N 3.36Š| ||
| 34 | T | 57.6 | Low | 46.6 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | trans | -60.7 | 141.5 | 175.5 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | R32 L36 A37 S38 | R32-T34 PolarHBondContact O-N 3.45Å; R32-T34 VanDerWaalsContact O-N 3.1Å; T34-L36 PolarHBondContact O-N 3.14Å; T34-A37 PolarHBondContact O-N 2.91Å; T34-S38 PolarHBondContact O-N 3.49Å | ||
| 35 | P | 55.8 | Low | 47.1 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -54.7 | -30.8 | 179.8 | 16.9 | -28.2 | 0 | 0 | 0 | 111.9 | S38 M39 | P35-S38 PolarHBondContact O-N 2.96Å; P35-S38 PolarHBondContact O-OG 3.39Å; P35-M39 PolarHBondContact O-N 3Å |
| 36 | L | 50.4 | Low | 47.6 | Very low | 111 Ų | 111 | 110.6 Ų | 110.6 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.7 | -44.9 | 174 | -165.9 | 69.7 | 0 | 0 | 0 | 113.2 | T34 S38 M39 L40 | T34-L36 PolarHBondContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.23Å; L36-M39 PolarHBondContact O-N 3.43Å; L36-L40 HydrophobicContact CG-CD1 4.22Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 2.93Å |
| 37 | A | 52.2 | Low | 48.4 | Very low | 28 Ų | 28 | 108.1 Ų | 108.1 | 23% | 0.231 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -66.1 | -33 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T34 R41 | T34-A37 PolarHBondContact O-N 2.91Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.27Å; A37-R41 PolarHBondContact O-N 3.49Å |
| 38 | S | 51.9 | Low | 49 | Very low | 44 Ų | 44 | 103.8 Ų | 103.8 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.1 | -37.4 | 174.3 | 82.5 | 0 | 0 | 0 | 0 | 112.3 | T34 P35 L36 R42 | T34-S38 PolarHBondContact O-N 3.49Å; P35-S38 PolarHBondContact O-N 2.96Å; P35-S38 PolarHBondContact O-OG 3.39Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.23Å; S38-R42 WeakPolarHBondContact O-CG 3.46Å; S38-R42 PolarHBondContact O-N 3.19Å |
| 39 | M | 47.8 | Very low | 49.7 | Very low | 100 Ų | 100 | 98.7 Ų | 98.7 | 49% | 0.493 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -48.6 | 175.4 | -76.8 | -151.6 | -80.2 | 0 | 0 | 111.1 | P35 L36 R41 R42 Y43 | P35-M39 PolarHBondContact O-N 3Å; L36-M39 PolarHBondContact O-N 3.43Å; M39-R41 VanDerWaalsContact C-N 3.27Å; M39-R41 PolarHBondContact O-N 3Å; M39-R42 PolarHBondContact O-N 3.49Å; M39-Y43 HydrophobicContact CB-CD2 4.47Å; M39-Y43 WeakPolarHBondContact O-CD2 3.39Å; M39-Y43 PolarHBondContact O-N 3.47Å |
| 40 | L | 46.5 | Very low | 50.2 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.1 | -39.3 | 177.9 | -74.1 | 169.1 | 0 | 0 | 0 | 112.3 | L36 Y43 S44 | L36-L40 HydrophobicContact CG-CD1 4.22Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 2.93Å; L40-Y43 PolarHBondContact O-N 3.45Å; L40-S44 WeakPolarHBondContact O-CB 3.39Å; L40-S44 PolarHBondContact O-N 3.18Å; L40-S44 PolarHBondContact O-OG 2.97Å |
| 41 | R | 47.8 | Very low | 50.8 | Low | 113 Ų | 113 | 93.8 Ų | 93.8 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 174.8 | -73.6 | -178.9 | -143.8 | -158.4 | -0.2 | 113.5 | N24 A37 M39 S44 C45 | N24-R41 PolarHBondContact OD1-NH1 3.08Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.27Å; A37-R41 PolarHBondContact O-N 3.49Å; M39-R41 VanDerWaalsContact C-N 3.27Å; M39-R41 PolarHBondContact O-N 3Å; R41-S44 PolarHBondContact O-OG 3.36Å; R41-C45 WeakPolarHBondContact O-CB 3.46Å; R41-C45 PolarHBondContact O-N 3.29Å; R41-C45 VanDerWaalsContact O-N 3.16Å |
| 42 | R | 51.5 | Low | 51.4 | Low | 176 Ų | 176 | 90.8 Ų | 90.8 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | 173.8 | -70.7 | -178 | -161.4 | -172.5 | 5.8 | 110.9 | S38 M39 C45 N46 | S38-R42 WeakPolarHBondContact O-CG 3.46Å; S38-R42 PolarHBondContact O-N 3.19Å; M39-R42 PolarHBondContact O-N 3.49Å; R42-C45 PolarHBondContact O-N 3.16Å; R42-N46 WeakPolarHBondContact O-CB 3.32Å; R42-N46 PolarHBondContact O-N 3.33Å; R42-N46 PolarHBondContact O-ND2 3.49Å; R42-N46 PolarHBondContact O-OD1 2.94Å |
| 43 | Y | 46.7 | Very low | 51.7 | Low | 150 Ų | 150 | 82.5 Ų | 82.5 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 176.2 | -82.4 | -74.1 | 0 | 0 | 0 | 112.1 | M39 L40 C45 N46 I47 | M39-Y43 HydrophobicContact CB-CD2 4.47Å; M39-Y43 WeakPolarHBondContact O-CD2 3.39Å; M39-Y43 PolarHBondContact O-N 3.47Å; L40-Y43 PolarHBondContact O-N 3.45Å; Y43-C45 VanDerWaalsContact C-N 3.33Å; Y43-C45 PolarHBondContact O-N 2.84Å; Y43-N46 PolarHBondContact O-N 2.9Å; Y43-I47 WeakPolarHBondContact O-CB 3.27Å; Y43-I47 WeakPolarHBondContact O-CD1 3.23Å; Y43-I47 VanDerWaalsContact O-CG1 3.23Å; Y43-I47 WeakPolarHBondContact O-CG1 3.48Å; Y43-I47 PolarHBondContact O-N 3.12Å |
| 44 | S | 47.8 | Very low | 51.9 | Low | 52 Ų | 52 | 83.7 Ų | 83.7 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 177.8 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | L40 R41 S48 | L40-S44 WeakPolarHBondContact O-CB 3.39Å; L40-S44 PolarHBondContact O-N 3.18Å; L40-S44 PolarHBondContact O-OG 2.97Å; R41-S44 PolarHBondContact O-OG 3.36Å; S44-S48 WeakPolarHBondContact O-CB 3.29Å; S44-S48 PolarHBondContact O-N 3.18Å |
| 45 | C | 50.5 | Low | 51.8 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 35% | 0.345 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.7 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | R41 R42 Y43 I47 S48 V49 | R41-C45 WeakPolarHBondContact O-CB 3.46Å; R41-C45 PolarHBondContact O-N 3.29Å; R41-C45 VanDerWaalsContact O-N 3.16Å; R42-C45 PolarHBondContact O-N 3.16Å; Y43-C45 VanDerWaalsContact C-N 3.33Å; Y43-C45 PolarHBondContact O-N 2.84Å; C45-I47 PolarHBondContact O-N 2.95Å; C45-S48 PolarHBondContact O-N 3.06Å; C45-V49 VanDerWaalsContact O-CG2 3.28Å; C45-V49 WeakPolarHBondContact O-CG2 3.46Å; C45-V49 PolarHBondContact O-N 3.48Å |
| 46 | N | 50.4 | Low | 51.8 | Low | 105 Ų | 105 | 85.1 Ų | 85.1 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 177.3 | -71.8 | -12.7 | 0 | 0 | 0 | 112.2 | R42 Y43 V49 A50 | R42-N46 WeakPolarHBondContact O-CB 3.32Å; R42-N46 PolarHBondContact O-N 3.33Å; R42-N46 PolarHBondContact O-ND2 3.49Å; R42-N46 PolarHBondContact O-OD1 2.94Å; Y43-N46 PolarHBondContact O-N 2.9Å; N46-V49 PolarHBondContact O-N 3.5Å; N46-A50 VanDerWaalsContact O-CB 3.3Å; N46-A50 WeakPolarHBondContact O-CB 3.34Å; N46-A50 PolarHBondContact O-N 3.32Å |
| 47 | I | 54 | Low | 52.1 | Low | 103 Ų | 103 | 85 Ų | 85 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 175.7 | -68.5 | 163.6 | 0 | 0 | 0 | 110.1 | Y43 C45 V49 A50 C51 | Y43-I47 WeakPolarHBondContact O-CB 3.27Å; Y43-I47 WeakPolarHBondContact O-CD1 3.23Å; Y43-I47 VanDerWaalsContact O-CG1 3.23Å; Y43-I47 WeakPolarHBondContact O-CG1 3.48Å; Y43-I47 PolarHBondContact O-N 3.12Å; C45-I47 PolarHBondContact O-N 2.95Å; I47-V49 PolarHBondContact O-N 3.21Å; I47-A50 PolarHBondContact O-N 3.47Å; I47-C51 WeakPolarHBondContact O-CB 3.42Å; I47-C51 PolarHBondContact O-N 3.25Å; I47-C51 PolarHBondContact O-SG 2.72Å; I47-C51 VanDerWaalsContact O-SG 3.36Å |
| 48 | S | 55 | Low | 52.2 | Low | 20 Ų | 20 | 86 Ų | 86 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 177.2 | 166.3 | 0 | 0 | 0 | 0 | 112.2 | V13 C17 S44 C45 C51 C52 | V13-S48 WeakPolarHBondContact CG1-OG 3.49Å; C17-S48 PolarHBondContact SG-OG 2.84Å; S44-S48 WeakPolarHBondContact O-CB 3.29Å; S44-S48 PolarHBondContact O-N 3.18Å; C45-S48 PolarHBondContact O-N 3.06Å; S48-C51 PolarHBondContact O-N 3.26Å; S48-C52 PolarHBondContact O-N 3.36Å; S48-C52 PolarHBondContact O-SG 3.33Å |
| 49 | V | 54.7 | Low | 52.5 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | C45 N46 I47 C51 C52 T53 | C45-V49 VanDerWaalsContact O-CG2 3.28Å; C45-V49 WeakPolarHBondContact O-CG2 3.46Å; C45-V49 PolarHBondContact O-N 3.48Å; N46-V49 PolarHBondContact O-N 3.5Å; I47-V49 PolarHBondContact O-N 3.21Å; V49-C51 PolarHBondContact O-N 3.5Å; V49-C52 PolarHBondContact O-N 2.9Å; V49-T53 WeakPolarHBondContact O-CG2 3.4Å; V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3.27Å |
| 50 | A | 49.9 | Very low | 52.9 | Low | 43 Ų | 43 | 85.1 Ų | 85.1 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N46 I47 C52 T53 I54 | N46-A50 VanDerWaalsContact O-CB 3.3Å; N46-A50 WeakPolarHBondContact O-CB 3.34Å; N46-A50 PolarHBondContact O-N 3.32Å; I47-A50 PolarHBondContact O-N 3.47Å; A50-C52 PolarHBondContact O-N 3.48Å; A50-T53 WeakPolarHBondContact CA-OG1 3.3Å; A50-T53 PolarHBondContact O-N 2.92Å; A50-T53 PolarHBondContact O-OG1 3.46Å; A50-I54 VanDerWaalsContact O-CG1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.29Å; A50-I54 PolarHBondContact O-N 2.9Å |
| 51 | C | 52.6 | Low | 53.2 | Low | 67 Ų | 67 | 85.2 Ų | 85.2 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 174.6 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | I47 S48 V49 T53 I54 F55 | I47-C51 WeakPolarHBondContact O-CB 3.42Å; I47-C51 PolarHBondContact O-N 3.25Å; I47-C51 PolarHBondContact O-SG 2.72Å; I47-C51 VanDerWaalsContact O-SG 3.36Å; S48-C51 PolarHBondContact O-N 3.26Å; V49-C51 PolarHBondContact O-N 3.5Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 3.44Å; C51-I54 PolarHBondContact O-N 3.31Å; C51-F55 WeakPolarHBondContact O-CB 3.28Å; C51-F55 PolarHBondContact O-N 2.81Å |
| 52 | C | 56.4 | Low | 53.4 | Low | 34 Ų | 34 | 83.9 Ų | 83.9 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 176 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | S48 V49 A50 F55 F56 | S48-C52 PolarHBondContact O-N 3.36Å; S48-C52 PolarHBondContact O-SG 3.33Å; V49-C52 PolarHBondContact O-N 2.9Å; A50-C52 PolarHBondContact O-N 3.48Å; C52-F55 PolarHBondContact O-N 2.88Å; C52-F56 WeakPolarHBondContact O-CB 3.32Å; C52-F56 PolarHBondContact O-N 3.41Å |
| 53 | T | 53.3 | Low | 53.5 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | V49 A50 C51 L57 | V49-T53 WeakPolarHBondContact O-CG2 3.4Å; V49-T53 PolarHBondContact O-N 2.91Å; V49-T53 PolarHBondContact O-OG1 3.27Å; A50-T53 WeakPolarHBondContact CA-OG1 3.3Å; A50-T53 PolarHBondContact O-N 2.92Å; A50-T53 PolarHBondContact O-OG1 3.46Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 3.44Å; T53-L57 VanDerWaalsContact O-CB 3.29Å; T53-L57 WeakPolarHBondContact O-CB 3.3Å; T53-L57 WeakPolarHBondContact O-CD1 3.39Å; T53-L57 WeakPolarHBondContact O-CG 3.1Å; T53-L57 PolarHBondContact O-N 3.48Å |
| 54 | I | 57.8 | Low | 53.5 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 177.4 | -69.4 | 165.5 | 0 | 0 | 0 | 109.7 | A50 C51 L57 S58 | A50-I54 VanDerWaalsContact O-CG1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.29Å; A50-I54 PolarHBondContact O-N 2.9Å; C51-I54 PolarHBondContact O-N 3.31Å; I54-L57 PolarHBondContact O-N 3.12Å; I54-S58 WeakPolarHBondContact O-CB 3.23Å; I54-S58 PolarHBondContact O-N 3.3Å |
| 55 | F | 55.3 | Low | 53.3 | Low | 88 Ų | 88 | 77.7 Ų | 77.7 | 39% | 0.386 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 178.2 | -169 | -91.7 | 0 | 0 | 0 | 111.4 | S6 C51 C52 L57 S58 E59 | S6-F55 VanDerWaalsContact CB-CE1 3.43Å; C51-F55 WeakPolarHBondContact O-CB 3.28Å; C51-F55 PolarHBondContact O-N 2.81Å; C52-F55 PolarHBondContact O-N 2.88Å; F55-L57 PolarHBondContact O-N 2.85Å; F55-S58 WeakPolarHBondContact CA-OG 3.39Å; F55-S58 PolarHBondContact O-N 3.42Å; F55-S58 VanDerWaalsContact O-N 3.08Å; F55-S58 PolarHBondContact O-OG 3.33Å; F55-E59 HydrophobicContact CD1-CG 4.41Å; F55-E59 HydrophobicContact CE1-CG 3.83Å; F55-E59 VanDerWaalsContact CE1-OE1 3.24Å; F55-E59 WeakPolarHBondContact CE1-OE1 3.38Å; F55-E59 HydrophobicContact CZ-CG 4.18Å; F55-E59 PolarHBondContact O-N 3.42Å |
| 56 | F | 56.4 | Low | 53.1 | Low | 126 Ų | 126 | 81.5 Ų | 81.5 | 55% | 0.553 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 175.5 | -171.7 | -95.9 | 0 | 0 | 0 | 112.3 | C52 S58 E59 L60 | C52-F56 WeakPolarHBondContact O-CB 3.32Å; C52-F56 PolarHBondContact O-N 3.41Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.49Å; F56-E59 PolarHBondContact O-N 2.82Å; F56-L60 HydrophobicContact CE1-CD1 4.13Å; F56-L60 VanDerWaalsContact O-CB 3.23Å; F56-L60 WeakPolarHBondContact O-CB 3.09Å; F56-L60 PolarHBondContact O-N 3.23Å |
| 57 | L | 55.1 | Low | 52.7 | Low | 108 Ų | 108 | 82.7 Ų | 82.7 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 173.1 | -84.1 | 159 | 0 | 0 | 0 | 111.8 | T53 I54 F55 L61 | T53-L57 VanDerWaalsContact O-CB 3.29Å; T53-L57 WeakPolarHBondContact O-CB 3.3Å; T53-L57 WeakPolarHBondContact O-CD1 3.39Å; T53-L57 WeakPolarHBondContact O-CG 3.1Å; T53-L57 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.12Å; F55-L57 PolarHBondContact O-N 2.85Å; L57-L61 VanDerWaalsContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CB 3.11Å; L57-L61 PolarHBondContact O-N 3.25Å |
| 58 | S | 55.4 | Low | 52 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | I54 F55 F56 L61 T62 | I54-S58 WeakPolarHBondContact O-CB 3.23Å; I54-S58 PolarHBondContact O-N 3.3Å; F55-S58 WeakPolarHBondContact CA-OG 3.39Å; F55-S58 PolarHBondContact O-N 3.42Å; F55-S58 VanDerWaalsContact O-N 3.08Å; F55-S58 PolarHBondContact O-OG 3.33Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.49Å; S58-L61 PolarHBondContact O-N 3.29Å; S58-T62 WeakPolarHBondContact O-CB 3.39Å; S58-T62 PolarHBondContact O-N 3.19Å; S58-T62 PolarHBondContact O-OG1 2.9Å |
| 59 | E | 57.9 | Low | 51 | Low | 70 Ų | 70 | 87.7 Ų | 87.7 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 174.3 | -80.6 | -170.4 | 159.5 | 0 | 0 | 111.5 | S6 F55 F56 T62 S63 | S6-E59 PolarHBondContact OG-OE1 3.46Å; F55-E59 HydrophobicContact CD1-CG 4.41Å; F55-E59 HydrophobicContact CE1-CG 3.83Å; F55-E59 VanDerWaalsContact CE1-OE1 3.24Å; F55-E59 WeakPolarHBondContact CE1-OE1 3.38Å; F55-E59 HydrophobicContact CZ-CG 4.18Å; F55-E59 PolarHBondContact O-N 3.42Å; F56-E59 PolarHBondContact O-N 2.82Å; E59-T62 PolarHBondContact O-N 3.47Å; E59-S63 WeakPolarHBondContact O-CB 3.27Å; E59-S63 PolarHBondContact O-N 3.45Å; E59-S63 PolarHBondContact O-OG 3.06Å |
| 60 | L | 55.5 | Low | 50 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 29% | 0.288 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 174.2 | -168.2 | 117.2 | 0 | 0 | 0 | 110.3 | F56 T62 S63 F64 | F56-L60 HydrophobicContact CE1-CD1 4.13Å; F56-L60 VanDerWaalsContact O-CB 3.23Å; F56-L60 WeakPolarHBondContact O-CB 3.09Å; F56-L60 PolarHBondContact O-N 3.23Å; L60-T62 VanDerWaalsContact C-N 3.33Å; L60-T62 PolarHBondContact O-N 3.4Å; L60-S63 WeakPolarHBondContact O-CB 3.49Å; L60-S63 PolarHBondContact O-N 3.31Å; L60-F64 HydrophobicContact CD1-CE2 4.41Å; L60-F64 HydrophobicContact CD2-CD2 3.84Å; L60-F64 HydrophobicContact CD2-CE2 3.59Å; L60-F64 HydrophobicContact CG-CD2 3.91Å; L60-F64 HydrophobicContact CG-CE2 3.72Å; L60-F64 WeakPolarHBondContact O-CD2 2.94Å; L60-F64 PolarHBondContact O-N 3.46Å |
| 61 | L | 52.6 | Low | 49.5 | Very low | 112 Ų | 112 | 92.1 Ų | 92.1 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 177.1 | -168.1 | 75.5 | 0 | 0 | 0 | 111.9 | L57 S58 F64 L65 | L57-L61 VanDerWaalsContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CB 3.11Å; L57-L61 PolarHBondContact O-N 3.25Å; S58-L61 PolarHBondContact O-N 3.29Å; L61-F64 PolarHBondContact O-N 2.92Å; L61-L65 HydrophobicContact CG-CD1 4.29Å; L61-L65 WeakPolarHBondContact O-CB 3.22Å; L61-L65 WeakPolarHBondContact O-CG 3.38Å; L61-L65 PolarHBondContact O-N 2.91Å |
| 62 | T | 52.7 | Low | 48.3 | Very low | 86 Ų | 86 | 94.1 Ų | 94.1 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | S58 E59 L60 L65 H66 | S58-T62 WeakPolarHBondContact O-CB 3.39Å; S58-T62 PolarHBondContact O-N 3.19Å; S58-T62 PolarHBondContact O-OG1 2.9Å; E59-T62 PolarHBondContact O-N 3.47Å; L60-T62 VanDerWaalsContact C-N 3.33Å; L60-T62 PolarHBondContact O-N 3.4Å; T62-L65 PolarHBondContact O-N 2.87Å; T62-H66 WeakPolarHBondContact O-CB 3.28Å; T62-H66 PolarHBondContact O-N 2.86Å |
| 63 | S | 52.7 | Low | 47.4 | Very low | 67 Ų | 67 | 101.3 Ų | 101.3 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | E59 L60 H66 F67 | E59-S63 WeakPolarHBondContact O-CB 3.27Å; E59-S63 PolarHBondContact O-N 3.45Å; E59-S63 PolarHBondContact O-OG 3.06Å; L60-S63 WeakPolarHBondContact O-CB 3.49Å; L60-S63 PolarHBondContact O-N 3.31Å; S63-H66 PolarHBondContact O-N 3.25Å; S63-F67 WeakPolarHBondContact O-CD2 3.04Å; S63-F67 PolarHBondContact O-N 3.32Å |
| 64 | F | 47.3 | Very low | 46.6 | Very low | 75 Ų | 75 | 101.8 Ų | 101.8 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 173.7 | -86.5 | -71.9 | 0 | 0 | 0 | 112.9 | L60 L61 H66 F67 N68 F85 | L60-F64 HydrophobicContact CD1-CE2 4.41Å; L60-F64 HydrophobicContact CD2-CD2 3.84Å; L60-F64 HydrophobicContact CD2-CE2 3.59Å; L60-F64 HydrophobicContact CG-CD2 3.91Å; L60-F64 HydrophobicContact CG-CE2 3.72Å; L60-F64 WeakPolarHBondContact O-CD2 2.94Å; L60-F64 PolarHBondContact O-N 3.46Å; L61-F64 PolarHBondContact O-N 2.92Å; F64-H66 VanDerWaalsContact C-N 3.35Å; F64-F67 PolarHBondContact O-N 2.82Å; F64-N68 PolarHBondContact O-N 2.78Å; F64-N68 VanDerWaalsContact O-N 3.13Å; F64-F85 HydrophobicContact CE1-CE1 4.47Å; F64-F85 HydrophobicContact CE1-CE2 4.31Å; F64-F85 AromaticContact CE1-CZ 3.77Å; F64-F85 HydrophobicContact CE1-CZ 3.77Å; F64-F85 HydrophobicContact CZ-CZ 4.38Å |
| 65 | L | 44.1 | Very low | 45.6 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -39.2 | 175.5 | -79.1 | 164.8 | 0 | 0 | 0 | 111.6 | L61 T62 F67 N68 | L61-L65 HydrophobicContact CG-CD1 4.29Å; L61-L65 WeakPolarHBondContact O-CB 3.22Å; L61-L65 WeakPolarHBondContact O-CG 3.38Å; L61-L65 PolarHBondContact O-N 2.91Å; T62-L65 PolarHBondContact O-N 2.87Å; L65-F67 VanDerWaalsContact C-N 3.31Å; L65-F67 PolarHBondContact O-N 2.99Å; L65-N68 PolarHBondContact O-N 3.01Å |
| 66 | H | 45.8 | Very low | 44.8 | Very low | 131 Ų | 131 | 111 Ų | 111 | 61% | 0.606 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.2 | -29.5 | 176.5 | -146.5 | -79.8 | 0 | 0 | 0 | 112.4 | T62 S63 F64 | T62-H66 WeakPolarHBondContact O-CB 3.28Å; T62-H66 PolarHBondContact O-N 2.86Å; S63-H66 PolarHBondContact O-N 3.25Å; F64-H66 VanDerWaalsContact C-N 3.35Å |
| 67 | F | 42.7 | Very low | 44 | Very low | 130 Ų | 130 | 110.2 Ų | 110.2 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.7 | -25.7 | 173.1 | -98.9 | -69.6 | 0 | 0 | 0 | 114.3 | S63 F64 L65 I69 T81 | S63-F67 WeakPolarHBondContact O-CD2 3.04Å; S63-F67 PolarHBondContact O-N 3.32Å; F64-F67 PolarHBondContact O-N 2.82Å; L65-F67 VanDerWaalsContact C-N 3.31Å; L65-F67 PolarHBondContact O-N 2.99Å; F67-I69 VanDerWaalsContact C-N 3.3Å; F67-T81 HydrophobicContact CD1-CG2 4.3Å; F67-T81 HydrophobicContact CE1-CG2 3.2Å; F67-T81 HydrophobicContact CZ-CG2 3.47Å; F67-T81 VanDerWaalsContact CZ-CG2 3.47Å |
| 68 | N | 38.6 | Very low | 43.2 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 71% | 0.711 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.2 | 177.3 | -83.8 | -27 | 0 | 0 | 0 | 113.7 | F64 L65 P70 | F64-N68 PolarHBondContact O-N 2.78Å; F64-N68 VanDerWaalsContact O-N 3.13Å; L65-N68 PolarHBondContact O-N 3.01Å; N68-P70 WeakPolarHBondContact O-CD 3.23Å |
| 69 | I | 34.7 | Very low | 42.3 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -85.8 | 117.2 | 168.9 | -58.1 | 170.8 | 0 | 0 | 0 | 106.7 | F67 T71 | F67-I69 VanDerWaalsContact C-N 3.3Å; I69-T71 HydrophobicContact CG2-CG2 4.25Å; I69-T71 PolarHBondContact O-N 3.27Å |
| 70 | P | 33.9 | Very low | 41.4 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | trans | -71.4 | 83.7 | 177.7 | 29.2 | -32.2 | 0 | 0 | 0 | 109.2 | N68 S72 | N68-P70 WeakPolarHBondContact O-CD 3.23Å; P70-S72 PolarHBondContact O-N 3.43Å; P70-S72 VanDerWaalsContact O-N 3.15Å | ||
| 71 | T | 37.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | trans | -77.4 | 98.3 | 167.2 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | I69 K73 | I69-T71 HydrophobicContact CG2-CG2 4.25Å; I69-T71 PolarHBondContact O-N 3.27Å; T71-K73 PolarHBondContact O-N 2.92Å | ||
| 72 | S | 28.3 | Very low | 40 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | trans | -61.5 | 103.3 | 164.3 | 53.1 | 0 | 0 | 0 | 0 | 109 | P70 | P70-S72 PolarHBondContact O-N 3.43Å; P70-S72 VanDerWaalsContact O-N 3.15Å | ||
| 73 | K | 36.9 | Very low | 39.3 | Very low | 186 Ų | 186 | 116.4 Ų | 116.4 | 81% | 0.809 | 59% | 0.593 | S | S | * | * | trans | 172.6 | 119.3 | 139.8 | -92.1 | 154.5 | -171.3 | -178.5 | 0 | 112.7 | T71 | T71-K73 PolarHBondContact O-N 2.92Š| ||
| 74 | S | 36.9 | Very low | 38.8 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | trans | 98.9 | 112.9 | 156.2 | 97.1 | 0 | 0 | 0 | 0 | 117.5 | R76 E77 | S74-R76 PolarHBondContact O-N 3.43Å; S74-E77 PolarHBondContact O-N 3.16Å | ||
| 75 | M | 36.7 | Very low | 38.4 | Very low | 187 Ų | 187 | 121.3 Ų | 121.3 | 92% | 0.921 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 14.5 | 172.4 | -86.5 | -176.2 | 73.5 | 0 | 0 | 116 | ||
| 76 | R | 38.3 | Very low | 38 | Very low | 207 Ų | 207 | 119.8 Ų | 119.8 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -16 | 175.9 | -71.4 | -172.8 | -159.3 | 179.8 | 6.7 | 114 | S74 | S74-R76 PolarHBondContact O-N 3.43Š|
| 77 | E | 39.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -83.1 | -20.8 | -176.4 | -69.4 | 179.9 | 164.1 | 0 | 0 | 113.5 | S74 Q79 Y80 T81 | S74-E77 PolarHBondContact O-N 3.16Å; E77-Q79 VanDerWaalsContact C-N 3.26Å; E77-Q79 PolarHBondContact O-N 2.91Å; E77-Y80 PolarHBondContact O-N 3.48Å; E77-T81 WeakPolarHBondContact O-CG2 3.11Å; E77-T81 PolarHBondContact O-N 3.4Å; E77-T81 VanDerWaalsContact O-N 3.16Å |
| 78 | S | 37.9 | Very low | 38 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -24.6 | -177.9 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | T81 S82 | S78-T81 WeakPolarHBondContact CA-OG1 3.28Å; S78-T81 PolarHBondContact O-OG1 3.28Å; S78-S82 PolarHBondContact O-OG 2.91Å |
| 79 | Q | 37.5 | Very low | 37.8 | Very low | 139 Ų | 139 | 111.4 Ų | 111.4 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.5 | -26.6 | 175.1 | -72 | -171.4 | -9.3 | 0 | 0 | 112.7 | E77 S82 | E77-Q79 VanDerWaalsContact C-N 3.26Å; E77-Q79 PolarHBondContact O-N 2.91Å; Q79-S82 PolarHBondContact O-OG 2.67Å |
| 80 | Y | 39.7 | Very low | 38.2 | Very low | 133 Ų | 133 | 111.1 Ų | 111.1 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -78.9 | -42.6 | 176.7 | -71.8 | -82.1 | 0 | 0 | 0 | 110.5 | E77 S82 R83 Y84 L119 | E77-Y80 PolarHBondContact O-N 3.48Å; Y80-S82 VanDerWaalsContact C-N 3.34Å; Y80-S82 PolarHBondContact O-N 3.36Å; Y80-R83 PolarHBondContact O-N 3.11Å; Y80-R83 VanDerWaalsContact O-N 3.14Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.42Å; Y80-Y84 PolarHBondContact O-N 3.09Å; Y80-L119 HydrophobicContact CE1-CD2 4.41Å |
| 81 | T | 40.1 | Very low | 38.6 | Very low | 40 Ų | 40 | 108.5 Ų | 108.5 | 25% | 0.245 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | F67 E77 S78 R83 Y84 F85 | F67-T81 HydrophobicContact CD1-CG2 4.3Å; F67-T81 HydrophobicContact CE1-CG2 3.2Å; F67-T81 HydrophobicContact CZ-CG2 3.47Å; F67-T81 VanDerWaalsContact CZ-CG2 3.47Å; E77-T81 WeakPolarHBondContact O-CG2 3.11Å; E77-T81 PolarHBondContact O-N 3.4Å; E77-T81 VanDerWaalsContact O-N 3.16Å; S78-T81 WeakPolarHBondContact CA-OG1 3.28Å; S78-T81 PolarHBondContact O-OG1 3.28Å; T81-R83 VanDerWaalsContact C-N 3.35Å; T81-R83 PolarHBondContact O-N 3.47Å; T81-Y84 PolarHBondContact O-N 3.33Å; T81-F85 PolarHBondContact O-N 3.41Å |
| 82 | S | 38.4 | Very low | 38.6 | Very low | 71 Ų | 71 | 109.7 Ų | 109.7 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 177 | 62.6 | 0 | 0 | 0 | 0 | 113 | S78 Q79 Y80 C86 | S78-S82 PolarHBondContact O-OG 2.91Å; Q79-S82 PolarHBondContact O-OG 2.67Å; Y80-S82 VanDerWaalsContact C-N 3.34Å; Y80-S82 PolarHBondContact O-N 3.36Å; S82-C86 WeakPolarHBondContact O-CB 3.4Å; S82-C86 PolarHBondContact O-N 3.28Å; S82-C86 VanDerWaalsContact O-N 3.08Å |
| 83 | R | 37.4 | Very low | 39.1 | Very low | 153 Ų | 153 | 107.3 Ų | 107.3 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.1 | -41.4 | 174.5 | -71.4 | -173.2 | -175.5 | -169.5 | 3.1 | 112 | Y80 T81 C86 Q87 | Y80-R83 PolarHBondContact O-N 3.11Å; Y80-R83 VanDerWaalsContact O-N 3.14Å; T81-R83 VanDerWaalsContact C-N 3.35Å; T81-R83 PolarHBondContact O-N 3.47Å; R83-C86 PolarHBondContact O-N 3.43Å; R83-Q87 WeakPolarHBondContact O-CG 3.26Å; R83-Q87 PolarHBondContact O-N 2.83Å |
| 84 | Y | 42 | Very low | 39.2 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 51% | 0.506 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.3 | -82.5 | -73.7 | 0 | 0 | 0 | 111.6 | Y80 T81 C86 Q87 I88 | Y80-Y84 WeakPolarHBondContact O-CD2 3.42Å; Y80-Y84 PolarHBondContact O-N 3.09Å; T81-Y84 PolarHBondContact O-N 3.33Å; Y84-C86 PolarHBondContact O-N 2.9Å; Y84-Q87 PolarHBondContact O-N 3.44Å; Y84-I88 WeakPolarHBondContact O-CB 3.48Å; Y84-I88 VanDerWaalsContact O-CG1 3.23Å; Y84-I88 WeakPolarHBondContact O-CG1 3.45Å; Y84-I88 PolarHBondContact O-N 2.86Å |
| 85 | F | 39.4 | Very low | 39.3 | Very low | 116 Ų | 116 | 99.1 Ų | 99.1 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 176.7 | -106.3 | -87.9 | 0 | 0 | 0 | 113.1 | F64 T81 I88 S89 | F64-F85 HydrophobicContact CE1-CE1 4.47Å; F64-F85 HydrophobicContact CE1-CE2 4.31Å; F64-F85 AromaticContact CE1-CZ 3.77Å; F64-F85 HydrophobicContact CE1-CZ 3.77Å; F64-F85 HydrophobicContact CZ-CZ 4.38Å; T81-F85 PolarHBondContact O-N 3.41Å; F85-I88 PolarHBondContact O-N 2.95Å; F85-S89 WeakPolarHBondContact O-CB 3.2Å; F85-S89 PolarHBondContact O-N 3.2Å; F85-S89 PolarHBondContact O-OG 3.41Å |
| 86 | C | 36.1 | Very low | 39.2 | Very low | 75 Ų | 75 | 93.9 Ų | 93.9 | 51% | 0.507 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | S82 R83 Y84 N90 | S82-C86 WeakPolarHBondContact O-CB 3.4Å; S82-C86 PolarHBondContact O-N 3.28Å; S82-C86 VanDerWaalsContact O-N 3.08Å; R83-C86 PolarHBondContact O-N 3.43Å; Y84-C86 PolarHBondContact O-N 2.9Å; C86-N90 WeakPolarHBondContact O-CB 3.39Å; C86-N90 PolarHBondContact O-N 3.32Å; C86-N90 PolarHBondContact O-ND2 3.49Å |
| 87 | Q | 43.6 | Very low | 38.9 | Very low | 98 Ų | 98 | 90.7 Ų | 90.7 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.6 | -76.6 | 178.3 | -20.1 | 0 | 0 | 112 | R83 Y84 N90 M91 | R83-Q87 WeakPolarHBondContact O-CG 3.26Å; R83-Q87 PolarHBondContact O-N 2.83Å; Y84-Q87 PolarHBondContact O-N 3.44Å; Q87-N90 PolarHBondContact O-N 3.02Å; Q87-M91 WeakPolarHBondContact O-CB 3.48Å; Q87-M91 WeakPolarHBondContact O-CG 3.4Å; Q87-M91 PolarHBondContact O-N 3.34Å |
| 88 | I | 43.6 | Very low | 38.7 | Very low | 50 Ų | 50 | 86.8 Ų | 86.8 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.6 | -68.2 | 166.2 | 0 | 0 | 0 | 111.5 | Y84 F85 N90 M91 L92 | Y84-I88 WeakPolarHBondContact O-CB 3.48Å; Y84-I88 VanDerWaalsContact O-CG1 3.23Å; Y84-I88 WeakPolarHBondContact O-CG1 3.45Å; Y84-I88 PolarHBondContact O-N 2.86Å; F85-I88 PolarHBondContact O-N 2.95Å; I88-N90 PolarHBondContact O-N 3.41Å; I88-M91 WeakPolarHBondContact O-CB 3.29Å; I88-M91 PolarHBondContact O-N 2.89Å; I88-L92 HydrophobicContact CG2-CD1 3.91Å; I88-L92 PolarHBondContact O-N 3.24Å |
| 89 | S | 35.9 | Very low | 38.5 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 49% | 0.49 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 175.4 | -78.6 | 0 | 0 | 0 | 0 | 112.6 | F85 L92 S93 | F85-S89 WeakPolarHBondContact O-CB 3.2Å; F85-S89 PolarHBondContact O-N 3.2Å; F85-S89 PolarHBondContact O-OG 3.41Å; S89-L92 PolarHBondContact O-N 3.28Å; S89-S93 VanDerWaalsContact O-CB 3.27Å; S89-S93 WeakPolarHBondContact O-CB 3.46Å; S89-S93 PolarHBondContact O-N 3.35Å |
| 90 | N | 41.6 | Very low | 38.3 | Very low | 89 Ų | 89 | 92.1 Ų | 92.1 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 172.3 | -79.2 | -19.5 | 0 | 0 | 0 | 111.7 | C86 Q87 I88 S93 I94 | C86-N90 WeakPolarHBondContact O-CB 3.39Å; C86-N90 PolarHBondContact O-N 3.32Å; C86-N90 PolarHBondContact O-ND2 3.49Å; Q87-N90 PolarHBondContact O-N 3.02Å; I88-N90 PolarHBondContact O-N 3.41Å; N90-S93 PolarHBondContact O-N 3.38Å; N90-I94 VanDerWaalsContact O-CB 3.28Å; N90-I94 WeakPolarHBondContact O-CB 3.4Å; N90-I94 VanDerWaalsContact O-CD1 3.29Å; N90-I94 WeakPolarHBondContact O-CD1 3.36Å; N90-I94 WeakPolarHBondContact O-CG1 3.39Å; N90-I94 PolarHBondContact O-N 2.95Å |
| 91 | M | 43 | Very low | 38 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 32% | 0.32 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 176 | -72.4 | -74.1 | -76.8 | 0 | 0 | 112.7 | Q87 I88 G95 I112 | Q87-M91 WeakPolarHBondContact O-CB 3.48Å; Q87-M91 WeakPolarHBondContact O-CG 3.4Å; Q87-M91 PolarHBondContact O-N 3.34Å; I88-M91 WeakPolarHBondContact O-CB 3.29Å; I88-M91 PolarHBondContact O-N 2.89Å; M91-G95 PolarHBondContact O-N 3.32Å; M91-I112 HydrophobicContact SD-CB 4.46Å; M91-I112 HydrophobicContact SD-CD1 3.3Å; M91-I112 WeakPolarHBondContact SD-CD1 3.41Å; M91-I112 HydrophobicContact SD-CG1 4.43Å; M91-I112 HydrophobicContact SD-CG2 4.08Å |
| 92 | L | 38.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 97.6 Ų | 97.6 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.1 | -41 | 175.1 | -90.4 | 148.4 | 0 | 0 | 0 | 112.4 | I88 S89 G95 S96 | I88-L92 HydrophobicContact CG2-CD1 3.91Å; I88-L92 PolarHBondContact O-N 3.24Å; S89-L92 PolarHBondContact O-N 3.28Å; L92-G95 PolarHBondContact O-N 2.98Å; L92-S96 PolarHBondContact O-N 2.83Å; L92-S96 PolarHBondContact O-OG 3.05Å |
| 93 | S | 38 | Very low | 37.6 | Very low | 57 Ų | 57 | 102.2 Ų | 102.2 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 172.9 | 165.4 | 0 | 0 | 0 | 0 | 111.8 | S89 N90 S96 Q97 | S89-S93 VanDerWaalsContact O-CB 3.27Å; S89-S93 WeakPolarHBondContact O-CB 3.46Å; S89-S93 PolarHBondContact O-N 3.35Å; N90-S93 PolarHBondContact O-N 3.38Å; S93-S96 PolarHBondContact O-N 3.21Å; S93-S96 PolarHBondContact O-OG 3.21Å; S93-Q97 PolarHBondContact O-N 3.23Å |
| 94 | I | 39.2 | Very low | 37.4 | Very low | 69 Ų | 69 | 98.6 Ų | 98.6 | 35% | 0.354 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 174.7 | -68.2 | 163.3 | 0 | 0 | 0 | 109.3 | N90 S96 Q97 L98 | N90-I94 VanDerWaalsContact O-CB 3.28Å; N90-I94 WeakPolarHBondContact O-CB 3.4Å; N90-I94 VanDerWaalsContact O-CD1 3.29Å; N90-I94 WeakPolarHBondContact O-CD1 3.36Å; N90-I94 WeakPolarHBondContact O-CG1 3.39Å; N90-I94 PolarHBondContact O-N 2.95Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 3.24Å; I94-Q97 PolarHBondContact O-N 2.97Å; I94-L98 HydrophobicContact CG2-CD1 3.44Å; I94-L98 VanDerWaalsContact CG2-CD1 3.44Å; I94-L98 HydrophobicContact CG2-CG 3.92Å; I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.48Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 2.77Å |
| 95 | G | 37.9 | Very low | 37.1 | Very low | 27 Ų | 27 | 93.8 Ų | 93.8 | 28% | 0.278 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M91 L92 R99 | M91-G95 PolarHBondContact O-N 3.32Å; L92-G95 PolarHBondContact O-N 2.98Å; G95-R99 PolarHBondContact O-N 3.03Å; G95-R99 VanDerWaalsContact O-N 3.12Å |
| 96 | S | 35.2 | Very low | 37 | Very low | 78 Ų | 78 | 94.4 Ų | 94.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.1 | -38.2 | 177.3 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | L92 S93 I94 R99 | L92-S96 PolarHBondContact O-N 2.83Å; L92-S96 PolarHBondContact O-OG 3.05Å; S93-S96 PolarHBondContact O-N 3.21Å; S93-S96 PolarHBondContact O-OG 3.21Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 3.24Å; S96-R99 PolarHBondContact O-N 3.08Å |
| 97 | Q | 33.2 | Very low | 37 | Very low | 139 Ų | 139 | 95.9 Ų | 95.9 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.5 | -34.6 | 171.3 | -69.8 | -172.8 | -14.2 | 0 | 0 | 112.4 | S93 I94 S100 | S93-Q97 PolarHBondContact O-N 3.23Å; I94-Q97 PolarHBondContact O-N 2.97Å; Q97-S100 VanDerWaalsContact O-CB 3.28Å; Q97-S100 WeakPolarHBondContact O-CB 2.96Å; Q97-S100 PolarHBondContact O-N 3.12Å |
| 98 | L | 35.8 | Very low | 36.6 | Very low | 29 Ų | 29 | 98 Ų | 98 | 15% | 0.152 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -71.2 | -28.5 | 178.1 | -73.5 | 176.9 | 0 | 0 | 0 | 113.2 | I94 S100 M101 I105 F109 | I94-L98 HydrophobicContact CG2-CD1 3.44Å; I94-L98 VanDerWaalsContact CG2-CD1 3.44Å; I94-L98 HydrophobicContact CG2-CG 3.92Å; I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.48Å; I94-L98 WeakPolarHBondContact O-CG 3.46Å; I94-L98 PolarHBondContact O-N 2.77Å; L98-S100 PolarHBondContact O-N 3.17Å; L98-M101 PolarHBondContact O-N 3.16Å; L98-M101 VanDerWaalsContact O-N 3.09Å; L98-I105 HydrophobicContact CD1-CG2 3.9Å; L98-I105 HydrophobicContact CD2-CB 3.82Å; L98-I105 HydrophobicContact CD2-CD1 3.58Å; L98-I105 HydrophobicContact CD2-CG1 3.63Å; L98-I105 HydrophobicContact CD2-CG2 3.23Å; L98-I105 HydrophobicContact CG-CG2 4.12Å; L98-F109 HydrophobicContact CD1-CD2 4.49Å; L98-F109 HydrophobicContact CD1-CE1 4.39Å; L98-F109 HydrophobicContact CD1-CE2 3.57Å; L98-F109 HydrophobicContact CD1-CZ 3.5Å |
| 99 | R | 31.9 | Very low | 36.2 | Very low | 219 Ų | 219 | 100.8 Ų | 100.8 | 83% | 0.826 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20 | 173.6 | -145.6 | -179.7 | -87 | -154.3 | -2.5 | 112.4 | G95 S96 | G95-R99 PolarHBondContact O-N 3.03Å; G95-R99 VanDerWaalsContact O-N 3.12Å; S96-R99 PolarHBondContact O-N 3.08Å |
| 100 | S | 34.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 74% | 0.741 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -22.7 | 174.4 | -166.3 | 0 | 0 | 0 | 0 | 113.4 | Q97 L98 K102 | Q97-S100 VanDerWaalsContact O-CB 3.28Å; Q97-S100 WeakPolarHBondContact O-CB 2.96Å; Q97-S100 PolarHBondContact O-N 3.12Å; L98-S100 PolarHBondContact O-N 3.17Å; S100-K102 PolarHBondContact O-N 3.37Å |
| 101 | M | 33.3 | Very low | 35.8 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 49% | 0.493 | 55% | 0.545 | S | S | . | . | trans | -104.6 | 66.1 | -178.7 | -66.8 | -146.9 | -56.9 | 0 | 0 | 110.8 | L98 N103 I105 | L98-M101 PolarHBondContact O-N 3.16Å; L98-M101 VanDerWaalsContact O-N 3.09Å; M101-N103 PolarHBondContact O-N 3.43Å; M101-I105 HydrophobicContact CB-CD1 3.11Å; M101-I105 HydrophobicContact CB-CG1 4.49Å; M101-I105 HydrophobicContact CE-CD1 3.45Å; M101-I105 VanDerWaalsContact CE-CD1 3.45Å; M101-I105 HydrophobicContact CE-CG1 3.85Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CD1 3.06Å; M101-I105 HydrophobicContact SD-CD1 4.44Å | ||
| 102 | K | 34.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 101.1 Ų | 101.1 | 81% | 0.813 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 86 | 162.3 | -77.1 | 176.5 | 173.4 | 174.1 | 0 | 108.4 | S100 | S100-K102 PolarHBondContact O-N 3.37Š|
| 103 | N | 35.1 | Very low | 35.5 | Very low | 168 Ų | 168 | 98.9 Ų | 98.9 | 90% | 0.898 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 160.8 | 13.3 | 151.5 | -80.8 | -18.3 | 0 | 0 | 0 | 118 | M101 | M101-N103 PolarHBondContact O-N 3.43Š|
| 104 | S | 33.3 | Very low | 35.6 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -148.3 | 5.4 | 179.7 | 61 | 0 | 0 | 0 | 0 | 118.1 | ||
| 105 | I | 35.7 | Very low | 35.3 | Very low | 28 Ų | 28 | 99.9 Ų | 99.9 | 14% | 0.144 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 58.3 | -161 | -45.4 | 122.2 | 0 | 0 | 0 | 113.9 | L98 M101 K108 F109 | L98-I105 HydrophobicContact CD1-CG2 3.9Å; L98-I105 HydrophobicContact CD2-CB 3.82Å; L98-I105 HydrophobicContact CD2-CD1 3.58Å; L98-I105 HydrophobicContact CD2-CG1 3.63Å; L98-I105 HydrophobicContact CD2-CG2 3.23Å; L98-I105 HydrophobicContact CG-CG2 4.12Å; M101-I105 HydrophobicContact CB-CD1 3.11Å; M101-I105 HydrophobicContact CB-CG1 4.49Å; M101-I105 HydrophobicContact CE-CD1 3.45Å; M101-I105 VanDerWaalsContact CE-CD1 3.45Å; M101-I105 HydrophobicContact CE-CG1 3.85Å; M101-I105 HydrophobicContact CG-CD1 4.16Å; M101-I105 WeakPolarHBondContact O-CD1 3.06Å; M101-I105 HydrophobicContact SD-CD1 4.44Å; I105-K108 HydrophobicContact CG2-CB 4.17Å; I105-F109 HydrophobicContact CG2-CD2 4.2Å; I105-F109 HydrophobicContact CG2-CE2 4.11Å |
| 106 | T | 36.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 104.3 Ų | 104.3 | 80% | 0.798 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -8.8 | 138.7 | 31.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 107 | V | 35.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 107.8 Ų | 107.8 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -92.6 | -18 | -161.6 | -176.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 108 | K | 35.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 105.1 Ų | 105.1 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -98.9 | -9.8 | 177.5 | -71 | -171.9 | 175.6 | -176.3 | 0 | 115.1 | I105 C110 V111 | I105-K108 HydrophobicContact CG2-CB 4.17Å; K108-C110 PolarHBondContact O-N 3.31Å; K108-V111 PolarHBondContact O-N 2.85Å |
| 109 | F | 36.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -69.3 | -13.3 | 172.6 | -77.6 | -81.8 | 0 | 0 | 0 | 112.9 | L98 I105 V111 | L98-F109 HydrophobicContact CD1-CD2 4.49Å; L98-F109 HydrophobicContact CD1-CE1 4.39Å; L98-F109 HydrophobicContact CD1-CE2 3.57Å; L98-F109 HydrophobicContact CD1-CZ 3.5Å; I105-F109 HydrophobicContact CG2-CD2 4.2Å; I105-F109 HydrophobicContact CG2-CE2 4.11Å; F109-V111 VanDerWaalsContact C-N 3.32Å |
| 110 | C | 35.1 | Very low | 35.7 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -75.2 | -11.6 | 173.5 | -160.7 | 0 | 0 | 0 | 0 | 114.2 | K108 V114 | K108-C110 PolarHBondContact O-N 3.31Å; C110-V114 WeakPolarHBondContact O-CG2 3.26Å |
| 111 | V | 33.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 102.8 Ų | 102.8 | 58% | 0.582 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -83.9 | -15 | -177.5 | -176.7 | 0 | 0 | 0 | 0 | 112 | K108 F109 | K108-V111 PolarHBondContact O-N 2.85Å; F109-V111 VanDerWaalsContact C-N 3.32Å |
| 112 | I | 34.8 | Very low | 35.9 | Very low | 55 Ų | 55 | 103.1 Ų | 103.1 | 28% | 0.282 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.4 | -21.3 | -170.4 | -59.9 | 173.4 | 0 | 0 | 0 | 113.5 | M91 V114 S115 L116 | M91-I112 HydrophobicContact SD-CB 4.46Å; M91-I112 HydrophobicContact SD-CD1 3.3Å; M91-I112 WeakPolarHBondContact SD-CD1 3.41Å; M91-I112 HydrophobicContact SD-CG1 4.43Å; M91-I112 HydrophobicContact SD-CG2 4.08Å; I112-V114 PolarHBondContact O-N 3.29Å; I112-S115 PolarHBondContact O-N 3.09Å; I112-S115 VanDerWaalsContact O-N 3.11Å; I112-L116 PolarHBondContact O-N 3.5Å |
| 113 | S | 40.9 | Very low | 36 | Very low | 76 Ų | 76 | 99.2 Ų | 99.2 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.1 | -29.4 | 160.2 | -4.6 | 0 | 0 | 0 | 0 | 110.9 | L117 | S113-L117 PolarHBondContact O-N 2.9Å |
| 114 | V | 38.9 | Very low | 36 | Very low | 91 Ų | 91 | 98.7 Ų | 98.7 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.3 | -25.3 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | C110 I112 L117 | C110-V114 WeakPolarHBondContact O-CG2 3.26Å; I112-V114 PolarHBondContact O-N 3.29Å; V114-L117 WeakPolarHBondContact O-CB 3.34Å; V114-L117 PolarHBondContact O-N 3.31Å |
| 115 | S | 34.5 | Very low | 36 | Very low | 56 Ų | 56 | 100.6 Ų | 100.6 | 39% | 0.392 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -82 | -25.2 | 173.9 | -52.6 | 0 | 0 | 0 | 0 | 113 | I112 L117 S118 | I112-S115 PolarHBondContact O-N 3.09Å; I112-S115 VanDerWaalsContact O-N 3.11Å; S115-L117 VanDerWaalsContact C-N 3.28Å; S115-S118 PolarHBondContact O-N 3.1Å; S115-S118 PolarHBondContact O-OG 2.97Å |
| 116 | L | 40.5 | Very low | 35.7 | Very low | 119 Ų | 119 | 109 Ų | 109 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.5 | -18.1 | 167.6 | -100.3 | 119.9 | 0 | 0 | 0 | 113.2 | I112 S118 | I112-L116 PolarHBondContact O-N 3.5Å; L116-S118 PolarHBondContact O-N 3.43Å |
| 117 | L | 40.6 | Very low | 35.6 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -2.8 | 170.2 | -133.9 | 90 | 0 | 0 | 0 | 113.6 | S113 V114 S115 | S113-L117 PolarHBondContact O-N 2.9Å; V114-L117 WeakPolarHBondContact O-CB 3.34Å; V114-L117 PolarHBondContact O-N 3.31Å; S115-L117 VanDerWaalsContact C-N 3.28Å |
| 118 | S | 34.8 | Very low | 35.7 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 8.3 | -166.7 | 72.8 | 0 | 0 | 0 | 0 | 115.8 | S115 L116 | S115-S118 PolarHBondContact O-N 3.1Å; S115-S118 PolarHBondContact O-OG 2.97Å; L116-S118 PolarHBondContact O-N 3.43Å |
| 119 | L | 34.6 | Very low | 35.7 | Very low | 107 Ų | 107 | 110.8 Ų | 110.8 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -110.7 | 130.4 | 168.9 | -113.7 | 76.4 | 0 | 0 | 0 | 111.2 | Y80 | Y80-L119 HydrophobicContact CE1-CD2 4.41Š|
| 120 | P | 30.5 | Very low | 35.6 | Very low | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | trans | -74.2 | 137.3 | -163 | 29.5 | -33.2 | 0 | 0 | 0 | 111.8 | S122 | P120-S122 PolarHBondContact O-N 3.48Š| ||
| 121 | S | 37.4 | Very low | 35.7 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -65.5 | 56.6 | 167 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | T123 | S121-T123 PolarHBondContact O-N 3.21Š| ||
| 122 | S | 35.1 | Very low | 35.8 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 10.6 | 168.5 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | P120 | P120-S122 PolarHBondContact O-N 3.48Š|
| 123 | T | 37.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.6 | 24.1 | -165 | 42.1 | 0 | 0 | 0 | 0 | 113.6 | S121 T125 | S121-T123 PolarHBondContact O-N 3.21Å; T123-T125 PolarHBondContact O-N 3.5Å; T123-T125 VanDerWaalsContact O-N 3.16Å |
| 124 | L | 35.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -82.9 | 83.9 | 154.3 | -95.2 | 155.9 | 0 | 0 | 0 | 107.9 | ||||
| 125 | T | 31.6 | Very low | 35.3 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -57.8 | 129.9 | 177.9 | 45 | 0 | 0 | 0 | 0 | 113.2 | T123 | T123-T125 PolarHBondContact O-N 3.5Å; T123-T125 VanDerWaalsContact O-N 3.16Å | ||
| 126 | K | 29.6 | Very low | 35.3 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | 47.4 | 95.7 | 143.1 | -66.4 | -179.3 | 175.4 | 179 | 0 | 118 | ||||
| 127 | S | 36 | Very low | 34.9 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 100% | 1.378 | 77% | 0.769 | S | S | * | * | -178.2 | 0 | 125.2 | 65.6 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 127 of 127 residues in 23 ms
(Link to these results)