| 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 | 37.5 | Very low | 50.6 | Low | 224 Ų | 224 | 137.9 Ų | 137.9 | 100% | 1.103 | 66% | 0.664 | S | S | * | * | 0 | 57.4 | 0 | -65.5 | 168.8 | 159 | 0 | 0 | 110.4 | |||||
| 2 | N | 42.5 | Very low | 51.4 | Low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | -102.9 | -16.2 | -145.9 | -66 | 19.5 | 0 | 0 | 0 | 116.9 | Y4 | N2-Y4 PolarHBondContact O-N 3.2Å; N2-Y4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | H | 46.1 | Very low | 52 | Low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.787 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.5 | -19.3 | -179.1 | -94.4 | -49.4 | 0 | 0 | 0 | 115.2 | L7 | H3-L7 WeakPolarHBondContact O-CB 3.49Å; H3-L7 PolarHBondContact O-N 3.21Å; H3-L7 VanDerWaalsContact O-N 3.13Å |
| 4 | Y | 49.4 | Very low | 53.1 | Low | 183 Ų | 183 | 129 Ų | 129 | 72% | 0.718 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.9 | -24.6 | -173.1 | -151.7 | -97.6 | 0 | 0 | 0 | 113.7 | N2 R8 | N2-Y4 PolarHBondContact O-N 3.2Å; N2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-R8 WeakPolarHBondContact O-CB 3.38Å; Y4-R8 PolarHBondContact O-N 2.89Å |
| 5 | N | 49.9 | Very low | 53.9 | Low | 110 Ų | 110 | 130.1 Ų | 130.1 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.4 | -37.8 | 175.1 | -83.9 | -12.3 | 0 | 0 | 0 | 112.1 | L7 R8 I9 | N5-L7 VanDerWaalsContact C-N 3.35Å; N5-R8 CarbonylContact O-C 3.57Å; N5-R8 WeakPolarHBondContact O-CA 3.26Å; N5-R8 WeakPolarHBondContact O-CB 3.16Å; N5-R8 PolarHBondContact O-N 3.07Å; N5-I9 PolarHBondContact O-N 3.24Å |
| 6 | D | 50.8 | Low | 54.6 | Low | 96 Ų | 96 | 128.3 Ų | 128.3 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.7 | -42.7 | 173.9 | -62.7 | -32.3 | 0 | 0 | 0 | 110.8 | R8 I9 L10 | D6-R8 PolarHBondContact O-N 2.76Å; D6-I9 PolarHBondContact O-N 3.11Å; D6-L10 VanDerWaalsContact O-CB 3.31Å; D6-L10 WeakPolarHBondContact O-CB 3.45Å; D6-L10 PolarHBondContact O-N 2.8Å |
| 7 | L | 53.1 | Low | 55.3 | Low | 100 Ų | 100 | 126.6 Ų | 126.6 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.2 | -31.8 | 171.9 | -165.4 | 73.7 | 0 | 0 | 0 | 111.8 | H3 N5 L11 | H3-L7 WeakPolarHBondContact O-CB 3.49Å; H3-L7 PolarHBondContact O-N 3.21Å; H3-L7 VanDerWaalsContact O-N 3.13Å; N5-L7 VanDerWaalsContact C-N 3.35Å; L7-L11 HydrophobicContact CD2-CD1 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.05Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.4Å |
| 8 | R | 55.3 | Low | 56.2 | Low | 175 Ų | 175 | 125.2 Ų | 125.2 | 66% | 0.66 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.9 | -39 | 176.9 | -151.4 | 174.9 | -167.7 | -172.3 | 2.5 | 112.2 | Y4 N5 D6 F12 | Y4-R8 WeakPolarHBondContact O-CB 3.38Å; Y4-R8 PolarHBondContact O-N 2.89Å; N5-R8 CarbonylContact O-C 3.57Å; N5-R8 WeakPolarHBondContact O-CA 3.26Å; N5-R8 WeakPolarHBondContact O-CB 3.16Å; N5-R8 PolarHBondContact O-N 3.07Å; D6-R8 PolarHBondContact O-N 2.76Å; R8-F12 WeakPolarHBondContact O-CB 3.27Å; R8-F12 PolarHBondContact O-N 2.85Å |
| 9 | I | 54.1 | Low | 56.7 | Low | 110 Ų | 110 | 124.1 Ų | 124.1 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -45.7 | 172.3 | -67.5 | 169.8 | 0 | 0 | 0 | 109.6 | N5 D6 L11 F12 S13 | N5-I9 PolarHBondContact O-N 3.24Å; D6-I9 PolarHBondContact O-N 3.11Å; I9-L11 VanDerWaalsContact C-N 3.35Å; I9-L11 PolarHBondContact O-N 3.13Å; I9-F12 CarbonylContact O-C 3.57Å; I9-F12 WeakPolarHBondContact O-CA 3.37Å; I9-F12 PolarHBondContact O-N 2.8Å; I9-S13 PolarHBondContact O-N 3.4Å; I9-S13 PolarHBondContact O-OG 2.81Å |
| 10 | L | 55.2 | Low | 57 | Low | 122 Ų | 122 | 120.5 Ų | 120.5 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.9 | -33.7 | -180 | -146.5 | 146 | 0 | 0 | 0 | 111.9 | D6 L14 | D6-L10 VanDerWaalsContact O-CB 3.31Å; D6-L10 WeakPolarHBondContact O-CB 3.45Å; D6-L10 PolarHBondContact O-N 2.8Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.24Å |
| 11 | L | 62.6 | Low | 57.3 | Low | 89 Ų | 89 | 119.1 Ų | 119.1 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.1 | -26.6 | 168.3 | -77.5 | 168 | 0 | 0 | 0 | 113.5 | L7 I9 K15 | L7-L11 HydrophobicContact CD2-CD1 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.05Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 WeakPolarHBondContact O-CG 3.33Å; L7-L11 PolarHBondContact O-N 3.4Å; I9-L11 VanDerWaalsContact C-N 3.35Å; I9-L11 PolarHBondContact O-N 3.13Å; L11-K15 WeakPolarHBondContact O-CB 3.33Å; L11-K15 VanDerWaalsContact O-CG 3.26Å; L11-K15 WeakPolarHBondContact O-CG 2.97Å; L11-K15 PolarHBondContact O-N 3.48Å |
| 12 | F | 61 | Low | 58.6 | Low | 140 Ų | 140 | 115.3 Ų | 115.3 | 61% | 0.614 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75 | -43.1 | 172.8 | -147 | -99 | 0 | 0 | 0 | 110.3 | R8 I9 K15 I16 | R8-F12 WeakPolarHBondContact O-CB 3.27Å; R8-F12 PolarHBondContact O-N 2.85Å; I9-F12 CarbonylContact O-C 3.57Å; I9-F12 WeakPolarHBondContact O-CA 3.37Å; I9-F12 PolarHBondContact O-N 2.8Å; F12-K15 CarbonylContact O-C 3.57Å; F12-K15 PolarHBondContact O-N 2.83Å; F12-I16 HydrophobicContact CD1-CD1 3.64Å; F12-I16 HydrophobicContact CD1-CG1 4.34Å; F12-I16 HydrophobicContact CE1-CD1 3.88Å; F12-I16 WeakPolarHBondContact O-CB 3.45Å; F12-I16 VanDerWaalsContact O-CG1 3.3Å; F12-I16 WeakPolarHBondContact O-CG1 3.45Å; F12-I16 PolarHBondContact O-N 3.31Å |
| 13 | S | 58.3 | Low | 59.4 | Low | 69 Ų | 69 | 112.7 Ų | 112.7 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -44 | 170.2 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | I9 K15 I16 L17 | I9-S13 PolarHBondContact O-N 3.4Å; I9-S13 PolarHBondContact O-OG 2.81Å; S13-K15 VanDerWaalsContact C-N 3.35Å; S13-I16 CarbonylContact O-C 3.55Å; S13-I16 PolarHBondContact O-N 2.9Å; S13-L17 VanDerWaalsContact O-CB 3.3Å; S13-L17 WeakPolarHBondContact O-CB 3.13Å; S13-L17 PolarHBondContact O-N 2.44Å |
| 14 | L | 67.8 | Low | 59.9 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.6 | -31.4 | 176 | -168.8 | 70.2 | 0 | 0 | 0 | 111.8 | L10 L18 | L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 PolarHBondContact O-N 3.24Å; L14-L18 HydrophobicContact CG-CD1 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3Å |
| 15 | K | 65.1 | Low | 60.2 | Low | 146 Ų | 146 | 105.3 Ų | 105.3 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.6 | -35.4 | 169.4 | -83.3 | -176 | 174.6 | -170.4 | 0 | 112.7 | L11 F12 S13 L19 | L11-K15 WeakPolarHBondContact O-CB 3.33Å; L11-K15 VanDerWaalsContact O-CG 3.26Å; L11-K15 WeakPolarHBondContact O-CG 2.97Å; L11-K15 PolarHBondContact O-N 3.48Å; F12-K15 CarbonylContact O-C 3.57Å; F12-K15 PolarHBondContact O-N 2.83Å; S13-K15 VanDerWaalsContact C-N 3.35Å; K15-L19 WeakPolarHBondContact O-CA 3.47Å; K15-L19 WeakPolarHBondContact O-CB 3.43Å; K15-L19 PolarHBondContact O-N 3.1Å |
| 16 | I | 65.8 | Low | 60.1 | Low | 101 Ų | 101 | 102.3 Ų | 102.3 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 173 | -72.6 | 167.6 | 0 | 0 | 0 | 110.2 | F12 S13 S20 | F12-I16 HydrophobicContact CD1-CD1 3.64Å; F12-I16 HydrophobicContact CD1-CG1 4.34Å; F12-I16 HydrophobicContact CE1-CD1 3.88Å; F12-I16 WeakPolarHBondContact O-CB 3.45Å; F12-I16 VanDerWaalsContact O-CG1 3.3Å; F12-I16 WeakPolarHBondContact O-CG1 3.45Å; F12-I16 PolarHBondContact O-N 3.31Å; S13-I16 CarbonylContact O-C 3.55Å; S13-I16 PolarHBondContact O-N 2.9Å; I16-S20 WeakPolarHBondContact O-CB 3.02Å; I16-S20 PolarHBondContact O-N 2.85Å; I16-S20 PolarHBondContact O-OG 2.82Å |
| 17 | L | 66.2 | Low | 60.1 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.5 | -41.2 | 176.4 | -162.9 | 77.8 | 0 | 0 | 0 | 112.2 | S13 S20 L21 | S13-L17 VanDerWaalsContact O-CB 3.3Å; S13-L17 WeakPolarHBondContact O-CB 3.13Å; S13-L17 PolarHBondContact O-N 2.44Å; L17-S20 WeakPolarHBondContact CA-OG 3.45Å; L17-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-OG 3.16Å; L17-S20 VanDerWaalsContact O-OG 3.06Å; L17-L21 HydrophobicContact CG-CD1 4.31Å; L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.19Å; L17-L21 WeakPolarHBondContact O-CD1 3.03Å; L17-L21 WeakPolarHBondContact O-CG 3.14Å; L17-L21 PolarHBondContact O-N 3.38Å |
| 18 | L | 71 | Confident | 59.8 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 173 | -78.6 | 167.4 | 0 | 0 | 0 | 111.3 | L14 F22 | L14-L18 HydrophobicContact CG-CD1 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3Å; L18-F22 WeakPolarHBondContact O-CB 3.3Å; L18-F22 PolarHBondContact O-N 3.5Å |
| 19 | L | 65.4 | Low | 59.2 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.4 | -34.7 | 174.6 | -170.6 | 68 | 0 | 0 | 0 | 111 | K15 I23 | K15-L19 WeakPolarHBondContact O-CA 3.47Å; K15-L19 WeakPolarHBondContact O-CB 3.43Å; K15-L19 PolarHBondContact O-N 3.1Å; L19-I23 HydrophobicContact CD1-CD1 4.28Å; L19-I23 HydrophobicContact CD1-CG1 4.48Å; L19-I23 HydrophobicContact CD2-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 3.83Å; L19-I23 HydrophobicContact CG-CG1 4.38Å; L19-I23 WeakPolarHBondContact O-CB 3.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.27Å; L19-I23 PolarHBondContact O-N 3.4Å |
| 20 | S | 62.5 | Low | 58.7 | Low | 51 Ų | 51 | 96.8 Ų | 96.8 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 173.1 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | I16 L17 I23 T24 | I16-S20 WeakPolarHBondContact O-CB 3.02Å; I16-S20 PolarHBondContact O-N 2.85Å; I16-S20 PolarHBondContact O-OG 2.82Å; L17-S20 WeakPolarHBondContact CA-OG 3.45Å; L17-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-OG 3.16Å; L17-S20 VanDerWaalsContact O-OG 3.06Å; S20-I23 CarbonylContact O-C 3.55Å; S20-I23 PolarHBondContact O-N 3.1Å; S20-T24 WeakPolarHBondContact O-CG2 3.39Å; S20-T24 PolarHBondContact O-N 2.9Å; S20-T24 PolarHBondContact O-OG1 3.06Å; S20-T24 VanDerWaalsContact O-OG1 3.04Å |
| 21 | L | 64.7 | Low | 57.8 | Low | 93 Ų | 93 | 97.2 Ų | 97.2 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 171.8 | -77 | 165.4 | 0 | 0 | 0 | 112.7 | L17 T24 N25 | L17-L21 HydrophobicContact CG-CD1 4.31Å; L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.19Å; L17-L21 WeakPolarHBondContact O-CD1 3.03Å; L17-L21 WeakPolarHBondContact O-CG 3.14Å; L17-L21 PolarHBondContact O-N 3.38Å; L21-T24 WeakPolarHBondContact CA-OG1 3.3Å; L21-T24 PolarHBondContact O-OG1 3.06Å; L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 2.69Å |
| 22 | F | 63.2 | Low | 56.7 | Low | 144 Ų | 144 | 100 Ų | 100 | 63% | 0.632 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73 | -33.6 | 175.1 | -149.2 | -86.9 | 0 | 0 | 0 | 110.7 | L18 C26 | L18-F22 WeakPolarHBondContact O-CB 3.3Å; L18-F22 PolarHBondContact O-N 3.5Å; F22-C26 WeakPolarHBondContact O-CB 3.5Å; F22-C26 PolarHBondContact O-N 3.48Å; F22-C26 PolarHBondContact O-SG 2.81Å |
| 23 | I | 60.6 | Low | 55.7 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 43% | 0.426 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -38.8 | 171.7 | -74.3 | 170.7 | 0 | 0 | 0 | 111 | L19 S20 C26 I27 | L19-I23 HydrophobicContact CD1-CD1 4.28Å; L19-I23 HydrophobicContact CD1-CG1 4.48Å; L19-I23 HydrophobicContact CD2-CD1 4.41Å; L19-I23 HydrophobicContact CG-CD1 3.83Å; L19-I23 HydrophobicContact CG-CG1 4.38Å; L19-I23 WeakPolarHBondContact O-CB 3.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.27Å; L19-I23 PolarHBondContact O-N 3.4Å; S20-I23 CarbonylContact O-C 3.55Å; S20-I23 PolarHBondContact O-N 3.1Å; I23-C26 PolarHBondContact O-N 3.3Å; I23-I27 HydrophobicContact CG2-CD1 3.51Å; I23-I27 HydrophobicContact CG2-CG1 4.14Å; I23-I27 WeakPolarHBondContact O-CA 3.42Å; I23-I27 WeakPolarHBondContact O-CB 3.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.31Å; I23-I27 PolarHBondContact O-N 3.25Å |
| 24 | T | 57.1 | Low | 54.7 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.9 | -35 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | S20 L21 I27 S28 | S20-T24 WeakPolarHBondContact O-CG2 3.39Å; S20-T24 PolarHBondContact O-N 2.9Å; S20-T24 PolarHBondContact O-OG1 3.06Å; S20-T24 VanDerWaalsContact O-OG1 3.04Å; L21-T24 WeakPolarHBondContact CA-OG1 3.3Å; L21-T24 PolarHBondContact O-OG1 3.06Å; T24-I27 PolarHBondContact O-N 2.68Å; T24-S28 WeakPolarHBondContact O-CB 3.35Å; T24-S28 PolarHBondContact O-N 3.03Å; T24-S28 PolarHBondContact O-OG 3.38Å |
| 25 | N | 54.5 | Low | 53.5 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.9 | -33 | 170.1 | -97.5 | -17 | 0 | 0 | 0 | 113.1 | L21 S28 L29 | L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 2.69Å; N25-S28 WeakPolarHBondContact CA-OG 3.25Å; N25-S28 PolarHBondContact O-OG 2.88Å; N25-S28 VanDerWaalsContact O-OG 3.06Å; N25-L29 VanDerWaalsContact O-CB 3.29Å; N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 PolarHBondContact O-N 2.8Å; N25-L29 VanDerWaalsContact O-N 3.11Å |
| 26 | C | 47.1 | Very low | 53.2 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 32% | 0.324 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.3 | -36.2 | 170.6 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | F22 I23 L29 I30 | F22-C26 WeakPolarHBondContact O-CB 3.5Å; F22-C26 PolarHBondContact O-N 3.48Å; F22-C26 PolarHBondContact O-SG 2.81Å; I23-C26 PolarHBondContact O-N 3.3Å; C26-L29 PolarHBondContact O-N 3.33Å; C26-I30 HydrophobicContact CB-CD1 4.34Å; C26-I30 WeakPolarHBondContact O-CB 3.36Å; C26-I30 WeakPolarHBondContact O-CD1 3.3Å; C26-I30 WeakPolarHBondContact O-CG1 3.47Å; C26-I30 PolarHBondContact O-N 3.08Å |
| 27 | I | 52.5 | Low | 52.9 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 176 | -75.7 | 173.5 | 0 | 0 | 0 | 110.5 | I23 T24 L29 I30 Q31 | I23-I27 HydrophobicContact CG2-CD1 3.51Å; I23-I27 HydrophobicContact CG2-CG1 4.14Å; I23-I27 WeakPolarHBondContact O-CA 3.42Å; I23-I27 WeakPolarHBondContact O-CB 3.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.31Å; I23-I27 PolarHBondContact O-N 3.25Å; T24-I27 PolarHBondContact O-N 2.68Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.87Å; I27-I30 PolarHBondContact O-N 2.98Å; I27-Q31 VanDerWaalsContact CG2-CD 3.42Å; I27-Q31 HydrophobicContact CG2-CG 3.94Å; I27-Q31 WeakPolarHBondContact O-CB 3.42Å; I27-Q31 VanDerWaalsContact O-CG 3.25Å; I27-Q31 WeakPolarHBondContact O-CG 3.38Å; I27-Q31 PolarHBondContact O-N 2.91Å |
| 28 | S | 45.7 | Very low | 52.9 | Low | 57 Ų | 57 | 93.9 Ų | 93.9 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 173.5 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | T24 N25 N32 | T24-S28 WeakPolarHBondContact O-CB 3.35Å; T24-S28 PolarHBondContact O-N 3.03Å; T24-S28 PolarHBondContact O-OG 3.38Å; N25-S28 WeakPolarHBondContact CA-OG 3.25Å; N25-S28 PolarHBondContact O-OG 2.88Å; N25-S28 VanDerWaalsContact O-OG 3.06Å; S28-N32 PolarHBondContact O-N 2.86Å |
| 29 | L | 42.8 | Very low | 53.2 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.5 | -26 | 176.5 | -149.5 | 75 | 0 | 0 | 0 | 113.7 | N25 C26 I27 | N25-L29 VanDerWaalsContact O-CB 3.29Å; N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 PolarHBondContact O-N 2.8Å; N25-L29 VanDerWaalsContact O-N 3.11Å; C26-L29 PolarHBondContact O-N 3.33Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.87Å |
| 30 | I | 43.2 | Very low | 54.1 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -91.5 | -33.1 | 179.2 | -69.5 | 166 | 0 | 0 | 0 | 111.7 | C26 I27 N32 I33 | C26-I30 HydrophobicContact CB-CD1 4.34Å; C26-I30 WeakPolarHBondContact O-CB 3.36Å; C26-I30 WeakPolarHBondContact O-CD1 3.3Å; C26-I30 WeakPolarHBondContact O-CG1 3.47Å; C26-I30 PolarHBondContact O-N 3.08Å; I27-I30 PolarHBondContact O-N 2.98Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 2.86Å; I30-I33 PolarHBondContact O-N 3.47Å; I30-I33 VanDerWaalsContact O-N 3.11Å |
| 31 | Q | 37.4 | Very low | 55.3 | Low | 131 Ų | 131 | 88.8 Ų | 88.8 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -34.2 | 174.5 | -77.8 | 177.5 | -33.8 | 0 | 0 | 111.6 | I27 I33 N34 | I27-Q31 VanDerWaalsContact CG2-CD 3.42Å; I27-Q31 HydrophobicContact CG2-CG 3.94Å; I27-Q31 WeakPolarHBondContact O-CB 3.42Å; I27-Q31 VanDerWaalsContact O-CG 3.25Å; I27-Q31 WeakPolarHBondContact O-CG 3.38Å; I27-Q31 PolarHBondContact O-N 2.91Å; Q31-I33 PolarHBondContact O-N 3.04Å; Q31-N34 PolarHBondContact O-N 2.83Å |
| 32 | N | 38.5 | Very low | 56.3 | Low | 146 Ų | 146 | 90.7 Ų | 90.7 | 78% | 0.781 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -3.9 | 172.2 | -100.2 | -0.3 | 0 | 0 | 0 | 115 | S28 I30 | S28-N32 PolarHBondContact O-N 2.86Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 2.86Å |
| 33 | I | 41.2 | Very low | 57.5 | Low | 138 Ų | 138 | 84.2 Ų | 84.2 | 71% | 0.708 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -9.9 | 174.1 | -59.7 | 176.3 | 0 | 0 | 0 | 111.4 | I30 Q31 | I30-I33 PolarHBondContact O-N 3.47Å; I30-I33 VanDerWaalsContact O-N 3.11Å; Q31-I33 PolarHBondContact O-N 3.04Å |
| 34 | N | 36.6 | Very low | 58.7 | Low | 130 Ų | 130 | 85.2 Ų | 85.2 | 70% | 0.695 | 45% | 0.451 | S | S | * | . | trans | -113.9 | 18.1 | -176.7 | -82.3 | -12.1 | 0 | 0 | 0 | 114.1 | Q31 P36 | Q31-N34 PolarHBondContact O-N 2.83Å; N34-P36 WeakPolarHBondContact O-CD 3.45Å | ||
| 35 | S | 43.2 | Very low | 60.1 | Low | 73 Ų | 73 | 81.5 Ų | 81.5 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | trans | -61.2 | 124.8 | 166.4 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | I37 | S35-I37 PolarHBondContact O-N 3.3Å; S35-I37 PolarHBondContact OG-N 3.35Å; S35-I37 PolarHBondContact OG-O 2.88Å | ||
| 36 | P | 59 | Low | 61.3 | Low | 91 Ų | 91 | 79.1 Ų | 79.1 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -74.1 | -10.4 | 169.3 | 32.2 | -34.1 | 0 | 0 | 0 | 111.9 | N34 H194 | N34-P36 WeakPolarHBondContact O-CD 3.45Å; P36-H194 WeakPolarHBondContact O-CB 3.46Å; P36-H194 PolarHBondContact O-ND1 2.81Å |
| 37 | I | 59.1 | Low | 63.1 | Low | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | trans | -101 | 128.2 | -176.2 | -65.8 | 157.2 | 0 | 0 | 0 | 110.2 | S35 H39 E40 I163 R196 | S35-I37 PolarHBondContact O-N 3.3Å; S35-I37 PolarHBondContact OG-N 3.35Å; S35-I37 PolarHBondContact OG-O 2.88Å; I37-H39 WeakPolarHBondContact CG2-O 3.35Å; I37-E40 HydrophobicContact CG2-CG 3.98Å; I37-I163 HydrophobicContact CD1-CD1 4.48Å; I37-R196 HydrophobicContact CD1-CB 4.2Å; I37-R196 HydrophobicContact CG2-CB 4.24Å | ||
| 38 | D | 65 | Low | 64.6 | Low | 53 Ų | 53 | 79.2 Ų | 79.2 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -88.2 | -30.6 | -179.9 | -71.3 | -82.9 | 0 | 0 | 0 | 113.4 | K63 F193 H194 | D38-K63 PolarHBondContact O-NZ 3.49Å; D38-F193 HydrophobicContact CB-CB 4.42Å; D38-F193 HydrophobicContact CB-CD1 4.38Å; D38-F193 VanDerWaalsContact OD2-CA 3.25Å; D38-F193 WeakPolarHBondContact OD2-CA 3.39Å; D38-H194 WeakPolarHBondContact CA-O 3.48Å; D38-H194 WeakPolarHBondContact CB-O 3.3Å; D38-H194 PolarHBondContact N-O 2.87Å; D38-H194 PolarHBondContact OD2-N 3.15Å |
| 39 | H | 78.8 | Confident | 66.6 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 156.6 | 179.3 | -153.2 | 87.9 | 0 | 0 | 0 | 111.7 | I37 Y41 D59 H194 I195 R196 | I37-H39 WeakPolarHBondContact CG2-O 3.35Å; H39-Y41 AromaticContact CD2-CD1 3.75Å; H39-Y41 AromaticContact CD2-CE1 3.28Å; H39-Y41 WeakPolarHBondContact CD2-CE1 3.36Å; H39-Y41 AromaticContact CD2-CZ 3.61Å; H39-Y41 AromaticContact NE2-CD1 3.96Å; H39-Y41 AromaticContact NE2-CE1 3.39Å; H39-Y41 WeakPolarHBondContact NE2-CE1 3.11Å; H39-D59 IonicContact CE1-OD1 2.74Å; H39-D59 PolarHBondContact CE1-OD1 3.21Å; H39-D59 IonicContact CE1-OD2 3.15Å; H39-D59 IonicContact NE2-OD1 3.19Å; H39-D59 IonicContact NE2-OD2 2.71Å; H39-H194 PolarHBondContact N-O 2.95Å; H39-I195 HydrophobicContact CB-CD1 4.48Å; H39-I195 HydrophobicContact CB-CG1 4.14Å; H39-I195 VanDerWaalsContact O-CA 3.28Å; H39-I195 WeakPolarHBondContact O-CA 3.34Å; H39-R196 PolarHBondContact O-N 3.28Å |
| 40 | E | 82.4 | Confident | 68.5 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.6 | 173.1 | -56.6 | -155 | 150.9 | 0 | 0 | 111.3 | I37 Y42 R196 | I37-E40 HydrophobicContact CG2-CG 3.98Å; E40-Y42 HydrophobicContact CB-CE2 4.39Å; E40-Y42 PolarHBondContact OE2-OH 3.44Å; E40-R196 CarbonylContact C-O 3.57Å; E40-R196 VanDerWaalsContact CA-O 3.31Å; E40-R196 WeakPolarHBondContact CA-O 3.33Å; E40-R196 HydrophobicContact CB-CB 4.44Å; E40-R196 HydrophobicContact CG-CB 3.97Å; E40-R196 WeakPolarHBondContact OE1-CD 3.16Å; E40-R196 IonicContact OE1-CZ 3.13Å; E40-R196 IonicContact OE1-NE 3.23Å; E40-R196 PolarHBondContact OE1-NE 2.82Å; E40-R196 IonicContact OE1-NH2 2.7Å |
| 41 | Y | 88.5 | Confident | 70.7 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 8% | 0.075 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 159.8 | 168.8 | -58.5 | -53.7 | 0 | 0 | 0 | 110.4 | H39 I53 N55 D59 I110 I195 R196 N198 | H39-Y41 AromaticContact CD2-CD1 3.75Å; H39-Y41 AromaticContact CD2-CE1 3.28Å; H39-Y41 WeakPolarHBondContact CD2-CE1 3.36Å; H39-Y41 AromaticContact CD2-CZ 3.61Å; H39-Y41 AromaticContact NE2-CD1 3.96Å; H39-Y41 AromaticContact NE2-CE1 3.39Å; H39-Y41 WeakPolarHBondContact NE2-CE1 3.11Å; Y41-I53 HydrophobicContact CD2-CG2 3.98Å; Y41-I53 HydrophobicContact CG-CG2 4.02Å; Y41-N55 PolarHBondContact OH-N 2.91Å; Y41-D59 WeakPolarHBondContact CE1-OD2 3.49Å; Y41-D59 PolarHBondContact OH-OD2 3.38Å; Y41-I110 HydrophobicContact CE2-CD1 3.99Å; Y41-I195 HydrophobicContact CD2-CG2 3.6Å; Y41-I195 HydrophobicContact CE2-CD1 4.05Å; Y41-I195 HydrophobicContact CE2-CG2 3.74Å; Y41-R196 PolarHBondContact N-O 2.98Å; Y41-N198 PolarHBondContact O-N 3.3Å; Y41-N198 PolarHBondContact O-ND2 2.81Å |
| 42 | Y | 86.6 | Confident | 73.1 | Confident | 133 Ų | 133 | 73.2 Ų | 73.2 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.4 | 176.9 | -69.2 | -99.8 | 0 | 0 | 0 | 108 | E40 N198 | E40-Y42 HydrophobicContact CB-CE2 4.39Å; E40-Y42 PolarHBondContact OE2-OH 3.44Å; Y42-N198 WeakPolarHBondContact CA-O 3.33Å; Y42-N198 HydrophobicContact CD1-CB 3.6Å; Y42-N198 HydrophobicContact CE1-CB 3.69Å; Y42-N198 WeakPolarHBondContact CE1-ND2 3.42Å; Y42-N198 HydrophobicContact CG-CB 4.2Å; Y42-N198 VanDerWaalsContact CZ-ND2 3.26Å; Y42-N198 PolarHBondContact OH-ND2 3.13Å |
| 43 | I | 87.9 | Confident | 75.3 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.046 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137 | -175.2 | -166.7 | 168.2 | 0 | 0 | 0 | 108.9 | I47 I53 L116 I197 N198 I199 Q200 | I43-I47 HydrophobicContact CD1-CG2 4.44Å; I43-I47 HydrophobicContact CG1-CD1 3.71Å; I43-I53 HydrophobicContact CD1-CD1 3.75Å; I43-I53 HydrophobicContact CD1-CG1 3.9Å; I43-I53 HydrophobicContact CD1-CG2 4.5Å; I43-L116 HydrophobicContact CD1-CD2 4.13Å; I43-L116 HydrophobicContact CG1-CD2 4.2Å; I43-L116 HydrophobicContact CG2-CD2 3.62Å; I43-I197 HydrophobicContact CB-CG2 4.4Å; I43-I197 HydrophobicContact CG2-CG2 3.47Å; I43-I197 VanDerWaalsContact CG2-CG2 3.47Å; I43-N198 PolarHBondContact N-O 2.65Å; I43-I199 HydrophobicContact CG2-CG1 4.46Å; I43-I199 CarbonylContact O-C 3.6Å; I43-I199 WeakPolarHBondContact O-CA 3.5Å; I43-Q200 PolarHBondContact O-N 2.68Å |
| 44 | E | 85.6 | Confident | 77.3 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 154 | 170.4 | -55.9 | 173.6 | 155.1 | 0 | 0 | 109.4 | I47 Q200 I202 | E44-I47 HydrophobicContact CB-CD1 3.9Å; E44-I47 HydrophobicContact CB-CG1 4.3Å; E44-I47 WeakPolarHBondContact O-CD1 3.3Å; E44-I47 WeakPolarHBondContact O-CG1 3.24Å; E44-Q200 HydrophobicContact CG-CB 4.26Å; E44-I202 HydrophobicContact CB-CD1 4.12Å; E44-I202 HydrophobicContact CB-CG1 4.43Å |
| 45 | E | 85.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 176 | 168.6 | 69.8 | -168.6 | 114.7 | 0 | 0 | 112.4 | I47 R118 I199 Q200 D201 I202 | E45-I47 PolarHBondContact O-N 3.35Å; E45-R118 HydrophobicContact CB-CB 4.16Å; E45-R118 HydrophobicContact CG-CB 4.42Å; E45-R118 WeakPolarHBondContact OE1-CB 3.36Å; E45-R118 WeakPolarHBondContact OE2-CA 3.04Å; E45-R118 WeakPolarHBondContact OE2-CB 3.43Å; E45-R118 PolarHBondContact OE2-N 2.83Å; E45-I199 HydrophobicContact CB-CG2 4.21Å; E45-Q200 PolarHBondContact N-O 3.1Å; E45-Q200 VanDerWaalsContact N-O 3.09Å; E45-D201 VanDerWaalsContact OE1-CA 3.31Å; E45-D201 WeakPolarHBondContact OE1-CA 3.35Å; E45-I202 HydrophobicContact CG-CB 3.94Å; E45-I202 HydrophobicContact CG-CD1 3.97Å; E45-I202 HydrophobicContact CG-CG1 3.89Å; E45-I202 WeakPolarHBondContact O-CD1 3.1Å; E45-I202 PolarHBondContact OE1-N 2.98Å |
| 46 | E | 81.2 | Confident | 81.5 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 8.1 | -177.2 | -69.5 | -56.8 | 108 | 0 | 0 | 116.9 | R115 L116 I202 | E46-R115 IonicContact OE1-CZ 3.7Å; E46-R115 IonicContact OE1-NE 2.62Å; E46-R115 PolarHBondContact OE1-NE 3.21Å; E46-R115 IonicContact OE1-NH1 3.77Å; E46-R115 IonicContact OE1-NH2 3.26Å; E46-R115 PolarHBondContact OE1-NH2 3.44Å; E46-R115 IonicContact OE2-CZ 2.69Å; E46-R115 IonicContact OE2-NE 3.19Å; E46-R115 PolarHBondContact OE2-NE 3.26Å; E46-R115 IonicContact OE2-NH2 2.76Å; E46-R115 PolarHBondContact OE2-NH2 2.96Å; E46-L116 PolarHBondContact N-O 2.81Å; E46-I202 HydrophobicContact CB-CD1 4.46Å |
| 47 | I | 83.1 | Confident | 82.1 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 18% | 0.179 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 138.7 | 178.9 | -82.1 | -177.7 | 0 | 0 | 0 | 111.7 | I43 E44 E45 T51 L112 | I43-I47 HydrophobicContact CD1-CG2 4.44Å; I43-I47 HydrophobicContact CG1-CD1 3.71Å; E44-I47 HydrophobicContact CB-CD1 3.9Å; E44-I47 HydrophobicContact CB-CG1 4.3Å; E44-I47 WeakPolarHBondContact O-CD1 3.3Å; E44-I47 WeakPolarHBondContact O-CG1 3.24Å; E45-I47 PolarHBondContact O-N 3.35Å; I47-T51 HydrophobicContact CG2-CG2 3.68Å; I47-T51 WeakPolarHBondContact CG2-OG1 3.34Å; I47-L112 HydrophobicContact CB-CD2 4.44Å; I47-L112 HydrophobicContact CG2-CD2 4.03Å; I47-L112 WeakPolarHBondContact O-CD2 3.49Å |
| 48 | P | 85.9 | Confident | 83 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 139.4 | -177.8 | -28.4 | 35.8 | 0 | 0 | 0 | 114.8 | G50 T51 | P48-G50 PolarHBondContact O-N 2.87Å; P48-T51 VanDerWaalsContact O-CB 3.32Å; P48-T51 WeakPolarHBondContact O-CB 3.12Å; P48-T51 PolarHBondContact O-N 3.06Å; P48-T51 PolarHBondContact O-OG1 2.89Å |
| 49 | I | 86.2 | Confident | 83.4 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 132.8 | 172.4 | -58.9 | 176.4 | 0 | 0 | 0 | 110 | S113 | I49-S113 WeakPolarHBondContact CG2-O 3.09Š|
| 50 | G | 84.1 | Confident | 82.9 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -6.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P48 I52 L112 | P48-G50 PolarHBondContact O-N 2.87Å; G50-I52 PolarHBondContact O-N 2.84Å; G50-L112 WeakPolarHBondContact CA-O 3.45Å; G50-L112 PolarHBondContact N-O 2.77Å |
| 51 | T | 87.5 | Confident | 81.9 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | trans | -60.6 | 133.7 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | I47 P48 I111 L112 | I47-T51 HydrophobicContact CG2-CG2 3.68Å; I47-T51 WeakPolarHBondContact CG2-OG1 3.34Å; P48-T51 VanDerWaalsContact O-CB 3.32Å; P48-T51 WeakPolarHBondContact O-CB 3.12Å; P48-T51 PolarHBondContact O-N 3.06Å; P48-T51 PolarHBondContact O-OG1 2.89Å; T51-I111 WeakPolarHBondContact O-CA 3.45Å; T51-L112 PolarHBondContact O-N 2.67Å | ||
| 52 | I | 87.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126 | 175.8 | -60.3 | 160.3 | 0 | 0 | 0 | 108.3 | G50 R109 I110 I111 | G50-I52 PolarHBondContact O-N 2.84Å; I52-R109 HydrophobicContact CG2-CB 4.26Å; I52-R109 HydrophobicContact CG2-CG 4.37Å; I52-I110 WeakPolarHBondContact CA-O 3.23Å; I52-I111 HydrophobicContact CB-CG2 4.46Å; I52-I111 HydrophobicContact CG1-CG2 3.79Å |
| 53 | I | 85.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -33.3 | -175.1 | -50.9 | -174.7 | 0 | 0 | 0 | 111 | Y41 I43 F102 I110 L112 I197 | Y41-I53 HydrophobicContact CD2-CG2 3.98Å; Y41-I53 HydrophobicContact CG-CG2 4.02Å; I43-I53 HydrophobicContact CD1-CD1 3.75Å; I43-I53 HydrophobicContact CD1-CG1 3.9Å; I43-I53 HydrophobicContact CD1-CG2 4.5Å; I53-F102 HydrophobicContact CD1-CD1 3.31Å; I53-F102 HydrophobicContact CD1-CE1 3.33Å; I53-I110 HydrophobicContact CD1-CG2 4.42Å; I53-I110 PolarHBondContact N-O 3.31Å; I53-L112 HydrophobicContact CD1-CB 4.33Å; I53-I197 HydrophobicContact CD1-CD1 4.06Å; I53-I197 HydrophobicContact CG2-CD1 4.41Å |
| 54 | G | 83.5 | Confident | 77.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R109 I110 | G54-R109 WeakPolarHBondContact O-CA 3.24Å; G54-I110 PolarHBondContact O-N 3.28Å |
| 55 | N | 85.9 | Confident | 76.1 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 104.2 | 177.2 | -174.7 | -0.5 | 0 | 0 | 0 | 111.7 | Y41 M57 D58 D59 D107 G108 R109 | Y41-N55 PolarHBondContact OH-N 2.91Å; N55-M57 PolarHBondContact O-N 3.24Å; N55-M57 PolarHBondContact OD1-N 2.87Å; N55-D58 HydrophobicContact CB-CB 4.26Å; N55-D58 WeakPolarHBondContact CB-OD2 3.49Å; N55-D58 PolarHBondContact ND2-OD2 3.27Å; N55-D58 PolarHBondContact O-N 2.97Å; N55-D58 VanDerWaalsContact O-N 3.13Å; N55-D59 PolarHBondContact O-N 2.82Å; N55-D59 VanDerWaalsContact O-N 3.13Å; N55-D107 PolarHBondContact ND2-O 2.72Å; N55-D107 PolarHBondContact OD1-O 2.68Å; N55-D107 VanDerWaalsContact OD1-O 3.1Å; N55-G108 WeakPolarHBondContact OD1-CA 3.29Å; N55-G108 PolarHBondContact OD1-O 3.03Å; N55-R109 HydrophobicContact CB-CG 4.02Å; N55-R109 PolarHBondContact OD1-N 2.75Å |
| 56 | I | 81.3 | Confident | 74.5 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.3 | -30.3 | -178.4 | -162.3 | -178.3 | 0 | 0 | 0 | 112.6 | L60 L89 I104 G108 I166 F193 I195 | I56-L60 HydrophobicContact CD1-CD1 4.16Å; I56-L60 HydrophobicContact CG1-CD1 3.8Å; I56-L60 HydrophobicContact CG1-CG 4.11Å; I56-L60 WeakPolarHBondContact O-CB 3.11Å; I56-L60 WeakPolarHBondContact O-CD1 3.3Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 2.79Å; I56-L89 HydrophobicContact CG2-CD1 4.23Å; I56-I104 HydrophobicContact CG2-CD1 4.18Å; I56-G108 WeakPolarHBondContact CG2-O 3.33Å; I56-G108 PolarHBondContact N-O 3.17Å; I56-G108 VanDerWaalsContact N-O 3.1Å; I56-I166 HydrophobicContact CD1-CB 4.3Å; I56-I166 HydrophobicContact CD1-CD1 4.09Å; I56-I166 HydrophobicContact CD1-CG2 4.09Å; I56-F193 HydrophobicContact CD1-CB 3.79Å; I56-F193 HydrophobicContact CD1-CD2 3.85Å; I56-F193 HydrophobicContact CD1-CG 3.96Å; I56-I195 HydrophobicContact CB-CD1 4.16Å; I56-I195 HydrophobicContact CD1-CD1 3.79Å; I56-I195 HydrophobicContact CG1-CD1 3.85Å |
| 57 | M | 73.2 | Confident | 73 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.2 | -40.2 | -179 | -71.6 | -62.2 | -140.5 | 0 | 0 | 112.2 | N55 L60 I61 Y87 L89 D107 L168 | N55-M57 PolarHBondContact O-N 3.24Å; N55-M57 PolarHBondContact OD1-N 2.87Å; M57-L60 PolarHBondContact O-N 3.37Å; M57-I61 WeakPolarHBondContact O-CB 3.49Å; M57-I61 WeakPolarHBondContact O-CD1 3.46Å; M57-I61 WeakPolarHBondContact O-CG1 3.49Å; M57-I61 PolarHBondContact O-N 2.92Å; M57-Y87 HydrophobicContact CE-CD2 3.87Å; M57-Y87 HydrophobicContact CE-CE2 3.28Å; M57-L89 HydrophobicContact CE-CD1 3.98Å; M57-L89 HydrophobicContact CE-CG 4.35Å; M57-L89 HydrophobicContact CG-CD1 4.19Å; M57-L89 HydrophobicContact SD-CD1 4.41Å; M57-D107 WeakPolarHBondContact CB-O 3.17Å; M57-D107 WeakPolarHBondContact CG-O 3.41Å; M57-L168 HydrophobicContact CE-CD1 4.25Å |
| 58 | D | 77.5 | Confident | 70.9 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 176.2 | -64.7 | -31.7 | 0 | 0 | 0 | 110.3 | N55 L60 I61 M62 | N55-D58 HydrophobicContact CB-CB 4.26Å; N55-D58 WeakPolarHBondContact CB-OD2 3.49Å; N55-D58 PolarHBondContact ND2-OD2 3.27Å; N55-D58 PolarHBondContact O-N 2.97Å; N55-D58 VanDerWaalsContact O-N 3.13Å; D58-L60 PolarHBondContact O-N 2.95Å; D58-I61 PolarHBondContact O-N 2.81Å; D58-M62 PolarHBondContact O-N 2.94Å; D58-M62 VanDerWaalsContact O-N 3.14Å |
| 59 | D | 74.1 | Confident | 69 | Low | 49 Ų | 49 | 71 Ų | 71 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 178 | -67.6 | -45.6 | 0 | 0 | 0 | 112.4 | H39 Y41 N55 K63 | H39-D59 IonicContact CE1-OD1 2.74Å; H39-D59 PolarHBondContact CE1-OD1 3.21Å; H39-D59 IonicContact CE1-OD2 3.15Å; H39-D59 IonicContact NE2-OD1 3.19Å; H39-D59 IonicContact NE2-OD2 2.71Å; Y41-D59 WeakPolarHBondContact CE1-OD2 3.49Å; Y41-D59 PolarHBondContact OH-OD2 3.38Å; N55-D59 PolarHBondContact O-N 2.82Å; N55-D59 VanDerWaalsContact O-N 3.13Å; D59-K63 WeakPolarHBondContact O-CB 3.22Å; D59-K63 PolarHBondContact O-N 3.43Å |
| 60 | L | 67.5 | Low | 66.9 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.7 | -36.2 | 174.1 | -75.3 | 171.4 | 0 | 0 | 0 | 112.8 | I56 M57 D58 K63 Y64 F193 | I56-L60 HydrophobicContact CD1-CD1 4.16Å; I56-L60 HydrophobicContact CG1-CD1 3.8Å; I56-L60 HydrophobicContact CG1-CG 4.11Å; I56-L60 WeakPolarHBondContact O-CB 3.11Å; I56-L60 WeakPolarHBondContact O-CD1 3.3Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 2.79Å; M57-L60 PolarHBondContact O-N 3.37Å; D58-L60 PolarHBondContact O-N 2.95Å; L60-K63 PolarHBondContact O-N 2.81Å; L60-Y64 HydrophobicContact CD2-CE2 4.46Å; L60-Y64 WeakPolarHBondContact O-CD2 3.3Å; L60-Y64 PolarHBondContact O-N 2.77Å; L60-F193 HydrophobicContact CD1-CD1 4.34Å; L60-F193 HydrophobicContact CD1-CD2 4.09Å; L60-F193 HydrophobicContact CD1-CE1 3.89Å; L60-F193 HydrophobicContact CD1-CE2 3.59Å; L60-F193 HydrophobicContact CD1-CG 4.43Å; L60-F193 HydrophobicContact CD1-CZ 3.48Å; L60-F193 VanDerWaalsContact CD1-CZ 3.48Å; L60-F193 HydrophobicContact CD2-CD1 3.94Å; L60-F193 HydrophobicContact CD2-CE1 3.48Å; L60-F193 VanDerWaalsContact CD2-CE1 3.48Å; L60-F193 HydrophobicContact CD2-CZ 3.9Å; L60-F193 HydrophobicContact CG-CE1 4.36Å; L60-F193 HydrophobicContact CG-CZ 4.37Å |
| 61 | I | 62.1 | Low | 65.1 | Low | 82 Ų | 82 | 78.2 Ų | 78.2 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176.8 | -75.8 | 163.1 | 0 | 0 | 0 | 110 | M57 D58 Y64 I65 | M57-I61 WeakPolarHBondContact O-CB 3.49Å; M57-I61 WeakPolarHBondContact O-CD1 3.46Å; M57-I61 WeakPolarHBondContact O-CG1 3.49Å; M57-I61 PolarHBondContact O-N 2.92Å; D58-I61 PolarHBondContact O-N 2.81Å; I61-Y64 PolarHBondContact O-N 2.91Å; I61-I65 HydrophobicContact CG2-CD1 3.99Å; I61-I65 WeakPolarHBondContact O-CG1 3.28Å; I61-I65 PolarHBondContact O-N 3Å |
| 62 | M | 57.3 | Low | 63 | Low | 134 Ų | 134 | 80 Ų | 80 | 66% | 0.66 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.4 | -50.9 | 174.4 | -70.5 | -63.2 | -156.6 | 0 | 0 | 111.5 | D58 Y64 I65 | D58-M62 PolarHBondContact O-N 2.94Å; D58-M62 VanDerWaalsContact O-N 3.14Å; M62-Y64 PolarHBondContact O-N 3Å; M62-Y64 VanDerWaalsContact O-N 3.07Å; M62-I65 PolarHBondContact O-N 2.64Å; M62-I65 VanDerWaalsContact O-N 3.12Å |
| 63 | K | 58.9 | Low | 61.1 | Low | 97 Ų | 97 | 78.1 Ų | 78.1 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -18.6 | -175.3 | -157 | 174.3 | -172.2 | -174.2 | 0 | 114.6 | D38 D59 L60 | D38-K63 PolarHBondContact O-NZ 3.49Å; D59-K63 WeakPolarHBondContact O-CB 3.22Å; D59-K63 PolarHBondContact O-N 3.43Å; L60-K63 PolarHBondContact O-N 2.81Å |
| 64 | Y | 55.6 | Low | 59.2 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -98.7 | -15.1 | 176.6 | -86.7 | -80.1 | 0 | 0 | 0 | 115.2 | L60 I61 M62 R191 | L60-Y64 HydrophobicContact CD2-CE2 4.46Å; L60-Y64 WeakPolarHBondContact O-CD2 3.3Å; L60-Y64 PolarHBondContact O-N 2.77Å; I61-Y64 PolarHBondContact O-N 2.91Å; M62-Y64 PolarHBondContact O-N 3Å; M62-Y64 VanDerWaalsContact O-N 3.07Å; Y64-R191 VanDerWaalsContact OH-CZ 3.28Å; Y64-R191 PolarHBondContact OH-NH1 2.9Å; Y64-R191 VanDerWaalsContact OH-NH1 3.08Å; Y64-R191 PolarHBondContact OH-NH2 2.87Å |
| 65 | I | 53.5 | Low | 57.5 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 48% | 0.477 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.7 | -42.1 | 178.2 | -73.9 | 166 | 0 | 0 | 0 | 110.8 | I61 M62 F67 G68 L73 | I61-I65 HydrophobicContact CG2-CD1 3.99Å; I61-I65 WeakPolarHBondContact O-CG1 3.28Å; I61-I65 PolarHBondContact O-N 3Å; M62-I65 PolarHBondContact O-N 2.64Å; M62-I65 VanDerWaalsContact O-N 3.12Å; I65-F67 PolarHBondContact O-N 2.85Å; I65-F67 VanDerWaalsContact O-N 3.14Å; I65-G68 PolarHBondContact O-N 2.94Å; I65-L73 HydrophobicContact CG1-CD1 4.3Å; I65-L73 HydrophobicContact CG1-CD2 4.46Å |
| 66 | D | 53.4 | Low | 55.8 | Low | 148 Ų | 148 | 96.2 Ų | 96.2 | 79% | 0.791 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.3 | 178.9 | -72.9 | -25.2 | 0 | 0 | 0 | 114.3 | ||
| 67 | F | 48.8 | Very low | 54.1 | Low | 156 Ų | 156 | 102.2 Ų | 102.2 | 68% | 0.684 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.3 | -176.7 | -93.9 | -84.1 | 0 | 0 | 0 | 115.2 | I65 L69 | I65-F67 PolarHBondContact O-N 2.85Å; I65-F67 VanDerWaalsContact O-N 3.14Å; F67-L69 PolarHBondContact O-N 2.85Å |
| 68 | G | 40.4 | Very low | 52.5 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | I65 T70 | I65-G68 PolarHBondContact O-N 2.94Å; G68-T70 VanDerWaalsContact C-N 3.28Å; G68-T70 PolarHBondContact O-N 2.53Å |
| 69 | L | 44.1 | Very low | 50.8 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | trans | -82.5 | 61.1 | -172.7 | -91.4 | 161.9 | 0 | 0 | 0 | 113.4 | F67 K71 F72 | F67-L69 PolarHBondContact O-N 2.85Å; L69-K71 PolarHBondContact O-N 3.15Å; L69-F72 PolarHBondContact O-N 3.18Å | ||
| 70 | T | 42.4 | Very low | 49.3 | Very low | 111 Ų | 111 | 108 Ų | 108 | 68% | 0.681 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.3 | -23.2 | -177.8 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | G68 F72 | G68-T70 VanDerWaalsContact C-N 3.28Å; G68-T70 PolarHBondContact O-N 2.53Å; T70-F72 PolarHBondContact O-N 3.35Å |
| 71 | K | 46.4 | Very low | 48 | Very low | 197 Ų | 197 | 113.7 Ų | 113.7 | 86% | 0.857 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.1 | -14.8 | 176.7 | -91.4 | -175.8 | 175 | 177.4 | 0 | 115.7 | L69 | L69-K71 PolarHBondContact O-N 3.15Å |
| 72 | F | 44.9 | Very low | 47.3 | Very low | 88 Ų | 88 | 116.3 Ų | 116.3 | 39% | 0.386 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -95 | -45.1 | 178.9 | -154.5 | -99.4 | 0 | 0 | 0 | 112 | L69 T70 H74 K75 L76 | L69-F72 PolarHBondContact O-N 3.18Å; T70-F72 PolarHBondContact O-N 3.35Å; F72-H74 VanDerWaalsContact C-N 3.26Å; F72-H74 PolarHBondContact O-N 3.27Å; F72-K75 PolarHBondContact O-N 2.96Å; F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CE1-CD1 4.03Å |
| 73 | L | 46.1 | Very low | 46.9 | Very low | 47 Ų | 47 | 117.2 Ų | 117.2 | 25% | 0.246 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -53.4 | -38.7 | 178.3 | -81.2 | 153.2 | 0 | 0 | 0 | 113.4 | I65 K75 L76 N77 | I65-L73 HydrophobicContact CG1-CD1 4.3Å; I65-L73 HydrophobicContact CG1-CD2 4.46Å; L73-K75 PolarHBondContact O-N 2.79Å; L73-L76 PolarHBondContact O-N 3.22Å; L73-L76 VanDerWaalsContact O-N 3.08Å; L73-N77 PolarHBondContact O-N 2.87Å |
| 74 | H | 47.4 | Very low | 46.3 | Very low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -9.1 | -178.9 | -149.6 | -46.5 | 0 | 0 | 0 | 114.2 | F72 | F72-H74 VanDerWaalsContact C-N 3.26Å; F72-H74 PolarHBondContact O-N 3.27Å |
| 75 | K | 45.9 | Very low | 46.1 | Very low | 188 Ų | 188 | 121 Ų | 121 | 82% | 0.817 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -9.6 | 176 | -145.7 | -178.9 | -177.1 | -172.2 | 0 | 114.1 | F72 L73 | F72-K75 PolarHBondContact O-N 2.96Å; L73-K75 PolarHBondContact O-N 2.79Å |
| 76 | L | 50.5 | Low | 46.3 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | -33.9 | 174.4 | -75 | 163.4 | 0 | 0 | 0 | 111.7 | F72 L73 S78 | F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CE1-CD1 4.03Å; L73-L76 PolarHBondContact O-N 3.22Å; L73-L76 VanDerWaalsContact O-N 3.08Å; L76-S78 PolarHBondContact O-N 2.98Å |
| 77 | N | 46.1 | Very low | 47.1 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -80.2 | 31.4 | -177.5 | -65.9 | 7.1 | 0 | 0 | 0 | 114.3 | L73 | L73-N77 PolarHBondContact O-N 2.87Š|
| 78 | S | 39.4 | Very low | 48.3 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -97.3 | 134.2 | 170.4 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | L76 I80 | L76-S78 PolarHBondContact O-N 2.98Å; S78-I80 PolarHBondContact O-N 2.83Å |
| 79 | P | 42.5 | Very low | 50.1 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 82% | 0.818 | 57% | 0.565 | S | S | * | * | trans | -62.1 | 124.9 | -179.2 | 25.5 | -33.6 | 0 | 0 | 0 | 110.4 | N81 | P79-N81 PolarHBondContact O-N 3.34Å; P79-N81 VanDerWaalsContact O-N 3.15Å | ||
| 80 | I | 42.6 | Very low | 51.9 | Low | 101 Ų | 101 | 108.6 Ų | 108.6 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | trans | -74.4 | 104.6 | 178.7 | -58.4 | 175.2 | 0 | 0 | 0 | 108 | S78 Y87 | S78-I80 PolarHBondContact O-N 2.83Å; I80-Y87 HydrophobicContact CD1-CE1 4.47Å | ||
| 81 | N | 40.4 | Very low | 53.9 | Low | 140 Ų | 140 | 103.4 Ų | 103.4 | 75% | 0.749 | 53% | 0.533 | S | S | * | . | trans | -72.4 | 137.9 | 158.4 | -91.9 | -22.7 | 0 | 0 | 0 | 108.5 | P79 N83 D84 | P79-N81 PolarHBondContact O-N 3.34Å; P79-N81 VanDerWaalsContact O-N 3.15Å; N81-N83 PolarHBondContact O-N 2.99Å; N81-D84 PolarHBondContact O-N 2.04Å | ||
| 82 | D | 47.4 | Very low | 55.5 | Low | 136 Ų | 136 | 98 Ų | 98 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 14.3 | -167.5 | -72.1 | -49.6 | 0 | 0 | 0 | 117.8 | ||
| 83 | N | 47.6 | Very low | 57.5 | Low | 154 Ų | 154 | 95.2 Ų | 95.2 | 82% | 0.824 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | 7.1 | -175.3 | -75.8 | -84.8 | 0 | 0 | 0 | 116 | N81 | N81-N83 PolarHBondContact O-N 2.99Š|
| 84 | D | 46.2 | Very low | 59 | Low | 112 Ų | 112 | 98.5 Ų | 98.5 | 60% | 0.599 | 51% | 0.514 | S | S | * | . | trans | -131.8 | 64.4 | 175.6 | -131.1 | -6.9 | 0 | 0 | 0 | 110.8 | N81 S86 K173 | N81-D84 PolarHBondContact O-N 2.04Å; D84-S86 PolarHBondContact O-N 2.7Å; D84-S86 VanDerWaalsContact O-N 3.15Å; D84-K173 IonicContact OD1-NZ 3.91Å; D84-K173 PolarHBondContact OD1-NZ 2.82Å; D84-K173 IonicContact OD2-NZ 3.84Å; D84-K173 PolarHBondContact OD2-NZ 3.03Å | ||
| 85 | H | 53.1 | Low | 60.4 | Low | 136 Ų | 136 | 96 Ų | 96 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | trans | -62.1 | 112 | 174.9 | -66.5 | -45 | 0 | 0 | 0 | 111.1 | ||||
| 86 | S | 57.1 | Low | 61.9 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | trans | -90.5 | -13.7 | -177.2 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | D84 I170 H171 | D84-S86 PolarHBondContact O-N 2.7Å; D84-S86 VanDerWaalsContact O-N 3.15Å; S86-I170 WeakPolarHBondContact O-CA 3.3Å; S86-H171 PolarHBondContact O-N 2.95Å | ||
| 87 | Y | 69.4 | Low | 63.4 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 24% | 0.243 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 167.5 | -178.2 | 68.3 | -92.1 | 0 | 0 | 0 | 113.7 | M57 I80 L168 F169 | M57-Y87 HydrophobicContact CE-CD2 3.87Å; M57-Y87 HydrophobicContact CE-CE2 3.28Å; I80-Y87 HydrophobicContact CD1-CE1 4.47Å; Y87-L168 HydrophobicContact CD2-CD1 3.89Å; Y87-L168 HydrophobicContact CG-CD1 4.27Å; Y87-F169 CarbonylContact C-O 3.47Å; Y87-F169 WeakPolarHBondContact CA-O 3.48Å; Y87-F169 WeakPolarHBondContact CB-O 3.41Å |
| 88 | S | 73.6 | Confident | 65.2 | Low | 39 Ų | 39 | 87.3 Ų | 87.3 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155 | 166.2 | 65.8 | 0 | 0 | 0 | 0 | 112 | L168 F169 | S88-L168 WeakPolarHBondContact O-CA 3.18Å; S88-F169 PolarHBondContact N-O 2.83Å; S88-F169 PolarHBondContact O-N 3.41Å |
| 89 | L | 79.2 | Confident | 67.3 | Low | 20 Ų | 20 | 83.9 Ų | 83.9 | 11% | 0.105 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.6 | 173.6 | -74.8 | 170.3 | 0 | 0 | 0 | 110 | I56 M57 I104 I166 G167 L168 | I56-L89 HydrophobicContact CG2-CD1 4.23Å; M57-L89 HydrophobicContact CE-CD1 3.98Å; M57-L89 HydrophobicContact CE-CG 4.35Å; M57-L89 HydrophobicContact CG-CD1 4.19Å; M57-L89 HydrophobicContact SD-CD1 4.41Å; L89-I104 HydrophobicContact CB-CD1 4.42Å; L89-I104 HydrophobicContact CD1-CD1 4.27Å; L89-I166 HydrophobicContact CD2-CG2 3.86Å; L89-G167 WeakPolarHBondContact CA-O 3.17Å; L89-L168 HydrophobicContact CD2-CB 4.04Å; L89-L168 HydrophobicContact CD2-CD1 3.83Å; L89-L168 HydrophobicContact CG-CD1 4.25Å |
| 90 | M | 82.1 | Confident | 69.4 | Low | 102 Ų | 102 | 80.5 Ų | 80.5 | 50% | 0.502 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 139 | 176.4 | -164.4 | 174.1 | 174.9 | 0 | 0 | 110.7 | F94 I166 G167 F169 | M90-F94 HydrophobicContact CE-CE2 3.97Å; M90-F94 HydrophobicContact CG-CE2 4.37Å; M90-I166 CarbonylContact O-C 3.58Å; M90-I166 WeakPolarHBondContact O-CA 3.23Å; M90-G167 PolarHBondContact N-O 2.69Å; M90-G167 PolarHBondContact O-N 2.7Å; M90-F169 HydrophobicContact CB-CE2 4.12Å |
| 91 | I | 84 | Confident | 71.4 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.7 | 166.9 | -66.9 | 166.3 | 0 | 0 | 0 | 108.7 | F94 V99 I104 L164 Q165 I166 | I91-F94 HydrophobicContact CB-CD1 4.48Å; I91-F94 HydrophobicContact CB-CE1 3.87Å; I91-F94 HydrophobicContact CB-CE2 4.16Å; I91-F94 HydrophobicContact CB-CZ 3.7Å; I91-F94 HydrophobicContact CG2-CD1 4.13Å; I91-F94 HydrophobicContact CG2-CE1 4Å; I91-F94 HydrophobicContact CG2-CG 4.46Å; I91-F94 HydrophobicContact CG2-CZ 4.22Å; I91-F94 WeakPolarHBondContact O-CD2 3.06Å; I91-F94 WeakPolarHBondContact O-CE2 3.36Å; I91-V99 HydrophobicContact CG2-CG1 3.72Å; I91-I104 HydrophobicContact CD1-CB 4.39Å; I91-I104 HydrophobicContact CD1-CG2 4.23Å; I91-I104 HydrophobicContact CG1-CB 4.41Å; I91-I104 HydrophobicContact CG1-CG2 3.91Å; I91-L164 HydrophobicContact CD1-CD2 4.36Å; I91-Q165 CarbonylContact C-O 3.53Å; I91-Q165 VanDerWaalsContact CA-O 3.28Å; I91-Q165 WeakPolarHBondContact CA-O 3.07Å; I91-I166 HydrophobicContact CG1-CG1 4.06Å |
| 92 | M | 81.1 | Confident | 73.8 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 41% | 0.409 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -114.8 | -24.9 | -168.8 | -62.1 | -66.5 | -61.9 | 0 | 0 | 113 | Q165 F169 L192 | M92-Q165 HydrophobicContact CB-CB 3.95Å; M92-Q165 PolarHBondContact N-O 3.34Å; M92-F169 HydrophobicContact CE-CZ 4.28Å; M92-F169 HydrophobicContact SD-CE2 4.19Å; M92-F169 HydrophobicContact SD-CZ 3.87Å; M92-L192 HydrophobicContact CE-CD1 4.45Å; M92-L192 HydrophobicContact CG-CD1 4Å |
| 93 | N | 86.1 | Confident | 75.7 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | -103.4 | 40.6 | -177.3 | 65.4 | -33.8 | 0 | 0 | 0 | 113.8 | A95 D96 I163 Q165 | N93-A95 PolarHBondContact O-N 3.45Å; N93-D96 PolarHBondContact O-N 3.28Å; N93-D96 VanDerWaalsContact O-N 3.14Å; N93-I163 PolarHBondContact ND2-O 3.4Å; N93-Q165 HydrophobicContact CB-CB 4.08Å; N93-Q165 HydrophobicContact CB-CG 4.15Å; N93-Q165 PolarHBondContact OD1-N 2.89Å | ||
| 94 | F | 77.9 | Confident | 77.6 | Confident | 117 Ų | 117 | 60.2 Ų | 60.2 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -3.6 | 175.5 | -70.6 | -63.2 | 0 | 0 | 0 | 116 | M90 I91 | M90-F94 HydrophobicContact CE-CE2 3.97Å; M90-F94 HydrophobicContact CG-CE2 4.37Å; I91-F94 HydrophobicContact CB-CD1 4.48Å; I91-F94 HydrophobicContact CB-CE1 3.87Å; I91-F94 HydrophobicContact CB-CE2 4.16Å; I91-F94 HydrophobicContact CB-CZ 3.7Å; I91-F94 HydrophobicContact CG2-CD1 4.13Å; I91-F94 HydrophobicContact CG2-CE1 4Å; I91-F94 HydrophobicContact CG2-CG 4.46Å; I91-F94 HydrophobicContact CG2-CZ 4.22Å; I91-F94 WeakPolarHBondContact O-CD2 3.06Å; I91-F94 WeakPolarHBondContact O-CE2 3.36Å |
| 95 | A | 76.2 | Confident | 79.4 | Confident | 105 Ų | 105 | 58.6 Ų | 58.6 | 87% | 0.868 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N93 | N93-A95 PolarHBondContact O-N 3.45Š|
| 96 | D | 78.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 58 Ų | 58 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -78.8 | 128.8 | 174.3 | 178.3 | -45 | 0 | 0 | 0 | 110 | N93 Y98 V99 | N93-D96 PolarHBondContact O-N 3.28Å; N93-D96 VanDerWaalsContact O-N 3.14Å; D96-Y98 PolarHBondContact O-N 3.39Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.41Å; D96-Y98 PolarHBondContact OD1-N 3.16Å; D96-V99 HydrophobicContact CB-CB 3.9Å; D96-V99 HydrophobicContact CB-CG2 3.53Å; D96-V99 PolarHBondContact O-N 3.17Å; D96-V99 PolarHBondContact OD1-N 3.34Å |
| 97 | P | 81.3 | Confident | 81.6 | Confident | 88 Ų | 88 | 58 Ų | 58 | 57% | 0.571 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.9 | -174.3 | 29.6 | -35.9 | 0 | 0 | 0 | 114.3 | N100 | P97-N100 PolarHBondContact O-ND2 3.08Š|
| 98 | Y | 83.2 | Confident | 82 | Confident | 87 Ų | 87 | 55 Ų | 55 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -18.5 | 178.5 | -53.7 | -71.5 | 0 | 0 | 0 | 112.4 | D96 N100 L101 Q120 I121 | D96-Y98 PolarHBondContact O-N 3.39Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.41Å; D96-Y98 PolarHBondContact OD1-N 3.16Å; Y98-N100 PolarHBondContact O-N 3.49Å; Y98-L101 HydrophobicContact CD1-CD1 4.47Å; Y98-L101 VanDerWaalsContact O-CB 3.25Å; Y98-L101 WeakPolarHBondContact O-CB 3.39Å; Y98-L101 WeakPolarHBondContact O-CD1 3.06Å; Y98-L101 WeakPolarHBondContact O-CG 3.29Å; Y98-L101 PolarHBondContact O-N 3.41Å; Y98-L101 VanDerWaalsContact O-N 3.13Å; Y98-Q120 PolarHBondContact OH-O 3.01Å; Y98-I121 HydrophobicContact CD1-CB 4.25Å; Y98-I121 HydrophobicContact CD1-CD1 4.5Å; Y98-I121 HydrophobicContact CD1-CG1 3.69Å; Y98-I121 HydrophobicContact CD1-CG2 3.96Å; Y98-I121 HydrophobicContact CD2-CG2 4.39Å; Y98-I121 HydrophobicContact CE1-CB 4.05Å; Y98-I121 HydrophobicContact CE1-CG1 3.71Å; Y98-I121 HydrophobicContact CE1-CG2 4.06Å; Y98-I121 HydrophobicContact CG-CG2 4.1Å |
| 99 | V | 85.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -62.7 | -28.6 | 172.3 | 164.7 | 0 | 0 | 0 | 0 | 112.7 | I91 D96 L101 F102 I162 I163 L164 | I91-V99 HydrophobicContact CG2-CG1 3.72Å; D96-V99 HydrophobicContact CB-CB 3.9Å; D96-V99 HydrophobicContact CB-CG2 3.53Å; D96-V99 PolarHBondContact O-N 3.17Å; D96-V99 PolarHBondContact OD1-N 3.34Å; V99-L101 PolarHBondContact O-N 3.45Å; V99-F102 PolarHBondContact O-N 2.79Å; V99-F102 VanDerWaalsContact O-N 3.16Å; V99-I162 HydrophobicContact CG2-CG2 3.83Å; V99-I163 WeakPolarHBondContact CG2-O 3.3Å; V99-L164 HydrophobicContact CB-CD2 4.31Å; V99-L164 HydrophobicContact CG1-CD2 3.78Å; V99-L164 HydrophobicContact CG2-CD2 4.13Å |
| 100 | N | 84.7 | Confident | 83.1 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -70.5 | -4.9 | 175.9 | 70.3 | 62.7 | 0 | 0 | 0 | 114.7 | P97 Y98 F102 S113 R114 | P97-N100 PolarHBondContact O-ND2 3.08Å; Y98-N100 PolarHBondContact O-N 3.49Å; N100-F102 PolarHBondContact O-N 3.03Å; N100-S113 PolarHBondContact O-OG 2.74Å; N100-R114 PolarHBondContact OD1-NH1 3.12Å |
| 101 | L | 86.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -70.3 | -8.7 | 168.7 | -56.4 | 174.2 | 0 | 0 | 0 | 112.2 | Y98 V99 S113 R114 L116 I121 I162 | Y98-L101 HydrophobicContact CD1-CD1 4.47Å; Y98-L101 VanDerWaalsContact O-CB 3.25Å; Y98-L101 WeakPolarHBondContact O-CB 3.39Å; Y98-L101 WeakPolarHBondContact O-CD1 3.06Å; Y98-L101 WeakPolarHBondContact O-CG 3.29Å; Y98-L101 PolarHBondContact O-N 3.41Å; Y98-L101 VanDerWaalsContact O-N 3.13Å; V99-L101 PolarHBondContact O-N 3.45Å; L101-S113 PolarHBondContact O-N 2.77Å; L101-S113 PolarHBondContact O-OG 3.13Å; L101-S113 VanDerWaalsContact O-OG 3.13Å; L101-R114 HydrophobicContact CD2-CB 3.59Å; L101-R114 HydrophobicContact CD2-CG 4.37Å; L101-L116 HydrophobicContact CD1-CD1 3.78Å; L101-I121 HydrophobicContact CD1-CD1 3.87Å; L101-I162 HydrophobicContact CD1-CD1 4.06Å |
| 102 | F | 89.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.5 | -174.7 | -50 | -71 | 0 | 0 | 0 | 112.5 | I53 V99 N100 I110 I111 L112 L116 I162 L164 I197 | I53-F102 HydrophobicContact CD1-CD1 3.31Å; I53-F102 HydrophobicContact CD1-CE1 3.33Å; V99-F102 PolarHBondContact O-N 2.79Å; V99-F102 VanDerWaalsContact O-N 3.16Å; N100-F102 PolarHBondContact O-N 3.03Å; F102-I110 HydrophobicContact CB-CG2 4.33Å; F102-I111 WeakPolarHBondContact CA-O 3.04Å; F102-L112 HydrophobicContact CD1-CD1 4.04Å; F102-L112 HydrophobicContact CE1-CD1 3.64Å; F102-L112 HydrophobicContact CZ-CD1 4.49Å; F102-L116 HydrophobicContact CZ-CD1 4.31Å; F102-I162 HydrophobicContact CD2-CG2 4.49Å; F102-I162 HydrophobicContact CE2-CB 4.1Å; F102-I162 HydrophobicContact CE2-CD1 3.66Å; F102-I162 HydrophobicContact CE2-CG1 4.5Å; F102-I162 HydrophobicContact CE2-CG2 3.93Å; F102-I162 HydrophobicContact CZ-CD1 4Å; F102-L164 HydrophobicContact CB-CD1 4.13Å; F102-L164 HydrophobicContact CB-CD2 4.12Å; F102-L164 HydrophobicContact CD2-CD2 3.87Å; F102-L164 HydrophobicContact CD2-CG 4.5Å; F102-L164 HydrophobicContact CG-CD1 4.37Å; F102-L164 HydrophobicContact CG-CD2 4.33Å; F102-I197 HydrophobicContact CD1-CD1 3.81Å; F102-I197 HydrophobicContact CD2-CD1 4.07Å; F102-I197 HydrophobicContact CE1-CD1 3.71Å; F102-I197 HydrophobicContact CE1-CG2 4.31Å; F102-I197 HydrophobicContact CE2-CD1 3.97Å; F102-I197 HydrophobicContact CG-CD1 3.97Å; F102-I197 HydrophobicContact CZ-CB 4.45Å; F102-I197 HydrophobicContact CZ-CD1 3.79Å; F102-I197 HydrophobicContact CZ-CG2 4.02Å |
| 103 | D | 88.2 | Confident | 84 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.5 | 174.1 | 174.1 | 42.5 | 0 | 0 | 0 | 110.1 | K105 I110 I111 | D103-K105 IonicContact OD2-NZ 3.71Å; D103-K105 PolarHBondContact OD2-NZ 2.75Å; D103-I110 WeakPolarHBondContact O-CA 2.97Å; D103-I111 HydrophobicContact CB-CD1 4.26Å; D103-I111 HydrophobicContact CB-CG1 3.96Å; D103-I111 PolarHBondContact N-O 2.82Å; D103-I111 WeakPolarHBondContact O-CG1 3.32Å; D103-I111 PolarHBondContact O-N 3.2Å |
| 104 | I | 86.4 | Confident | 84 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.1 | -176.9 | -168.8 | 168.4 | 0 | 0 | 0 | 111.8 | I56 L89 I91 I110 I166 | I56-I104 HydrophobicContact CG2-CD1 4.18Å; L89-I104 HydrophobicContact CB-CD1 4.42Å; L89-I104 HydrophobicContact CD1-CD1 4.27Å; I91-I104 HydrophobicContact CD1-CB 4.39Å; I91-I104 HydrophobicContact CD1-CG2 4.23Å; I91-I104 HydrophobicContact CG1-CB 4.41Å; I91-I104 HydrophobicContact CG1-CG2 3.91Å; I104-I110 HydrophobicContact CD1-CG1 4.3Å; I104-I110 HydrophobicContact CG1-CG1 4.3Å; I104-I166 HydrophobicContact CD1-CD1 3.84Å; I104-I166 HydrophobicContact CD1-CG1 4.08Å; I104-I166 HydrophobicContact CD1-CG2 3.79Å |
| 105 | K | 85.8 | Confident | 84.4 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | trans | -87.7 | 156.8 | 177 | -56.9 | -47.6 | -178.9 | -164.1 | 0 | 111.5 | D103 D107 G108 R109 I111 | D103-K105 IonicContact OD2-NZ 3.71Å; D103-K105 PolarHBondContact OD2-NZ 2.75Å; K105-D107 WeakPolarHBondContact CB-OD1 3.29Å; K105-D107 PolarHBondContact O-N 2.93Å; K105-D107 VanDerWaalsContact O-N 3.15Å; K105-G108 WeakPolarHBondContact O-CA 3.44Å; K105-G108 PolarHBondContact O-N 3.36Å; K105-R109 HydrophobicContact CB-CB 4.41Å; K105-R109 PolarHBondContact N-O 3.32Å; K105-I111 VanDerWaalsContact CE-CD1 3.43Å | ||
| 106 | L | 76.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 52.4 Ų | 52.4 | 64% | 0.644 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.7 | -180 | -83.6 | 158.2 | 0 | 0 | 0 | 113.8 | G108 | L106-G108 VanDerWaalsContact C-N 3.3Š|
| 107 | D | 79.1 | Confident | 85.4 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.1 | 174.2 | 55.9 | 34.4 | 0 | 0 | 0 | 114.1 | N55 M57 K105 R109 | N55-D107 PolarHBondContact ND2-O 2.72Å; N55-D107 PolarHBondContact OD1-O 2.68Å; N55-D107 VanDerWaalsContact OD1-O 3.1Å; M57-D107 WeakPolarHBondContact CB-O 3.17Å; M57-D107 WeakPolarHBondContact CG-O 3.41Å; K105-D107 WeakPolarHBondContact CB-OD1 3.29Å; K105-D107 PolarHBondContact O-N 2.93Å; K105-D107 VanDerWaalsContact O-N 3.15Å; D107-R109 VanDerWaalsContact CG-NE 3.31Å; D107-R109 WeakPolarHBondContact OD1-CB 3.19Å; D107-R109 WeakPolarHBondContact OD1-CG 3.47Å; D107-R109 IonicContact OD1-CZ 3.6Å; D107-R109 PolarHBondContact OD1-N 2.65Å; D107-R109 IonicContact OD1-NE 3.36Å; D107-R109 PolarHBondContact OD1-NE 3.43Å; D107-R109 IonicContact OD2-CZ 3.76Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.74Å; D107-R109 PolarHBondContact OD2-NE 2.72Å; D107-R109 IonicContact OD2-NH2 3.95Å; D107-R109 PolarHBondContact OD2-NH2 3.43Å |
| 108 | G | 78.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 98.1 | -8.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N55 I56 K105 L106 I110 | N55-G108 WeakPolarHBondContact OD1-CA 3.29Å; N55-G108 PolarHBondContact OD1-O 3.03Å; I56-G108 WeakPolarHBondContact CG2-O 3.33Å; I56-G108 PolarHBondContact N-O 3.17Å; I56-G108 VanDerWaalsContact N-O 3.1Å; K105-G108 WeakPolarHBondContact O-CA 3.44Å; K105-G108 PolarHBondContact O-N 3.36Å; L106-G108 VanDerWaalsContact C-N 3.3Å; G108-I110 PolarHBondContact O-N 3.41Å |
| 109 | R | 87.7 | Confident | 85.7 | Confident | 102 Ų | 102 | 44.6 Ų | 44.6 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.8 | -179.9 | -68.6 | 179.6 | -66.8 | 164.5 | -5.3 | 111.9 | I52 G54 N55 K105 D107 | I52-R109 HydrophobicContact CG2-CB 4.26Å; I52-R109 HydrophobicContact CG2-CG 4.37Å; G54-R109 WeakPolarHBondContact O-CA 3.24Å; N55-R109 HydrophobicContact CB-CG 4.02Å; N55-R109 PolarHBondContact OD1-N 2.75Å; K105-R109 HydrophobicContact CB-CB 4.41Å; K105-R109 PolarHBondContact N-O 3.32Å; D107-R109 VanDerWaalsContact CG-NE 3.31Å; D107-R109 WeakPolarHBondContact OD1-CB 3.19Å; D107-R109 WeakPolarHBondContact OD1-CG 3.47Å; D107-R109 IonicContact OD1-CZ 3.6Å; D107-R109 PolarHBondContact OD1-N 2.65Å; D107-R109 IonicContact OD1-NE 3.36Å; D107-R109 PolarHBondContact OD1-NE 3.43Å; D107-R109 IonicContact OD2-CZ 3.76Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.74Å; D107-R109 PolarHBondContact OD2-NE 2.72Å; D107-R109 IonicContact OD2-NH2 3.95Å; D107-R109 PolarHBondContact OD2-NH2 3.43Å |
| 110 | I | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.2 | 172.2 | -52.4 | -173.5 | 0 | 0 | 0 | 108.2 | Y41 I52 I53 G54 F102 D103 I104 G108 L164 I166 I195 | Y41-I110 HydrophobicContact CE2-CD1 3.99Å; I52-I110 WeakPolarHBondContact CA-O 3.23Å; I53-I110 HydrophobicContact CD1-CG2 4.42Å; I53-I110 PolarHBondContact N-O 3.31Å; G54-I110 PolarHBondContact O-N 3.28Å; F102-I110 HydrophobicContact CB-CG2 4.33Å; D103-I110 WeakPolarHBondContact O-CA 2.97Å; I104-I110 HydrophobicContact CD1-CG1 4.3Å; I104-I110 HydrophobicContact CG1-CG1 4.3Å; G108-I110 PolarHBondContact O-N 3.41Å; I110-L164 HydrophobicContact CD1-CD1 3.9Å; I110-L164 HydrophobicContact CG2-CD1 3.86Å; I110-I166 HydrophobicContact CD1-CD1 3.77Å; I110-I195 HydrophobicContact CD1-CD1 3.71Å |
| 111 | I | 90 | Very high | 85.5 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.4 | 179.3 | 56.5 | 154.4 | 0 | 0 | 0 | 111.9 | T51 I52 F102 D103 K105 | T51-I111 WeakPolarHBondContact O-CA 3.45Å; I52-I111 HydrophobicContact CB-CG2 4.46Å; I52-I111 HydrophobicContact CG1-CG2 3.79Å; F102-I111 WeakPolarHBondContact CA-O 3.04Å; D103-I111 HydrophobicContact CB-CD1 4.26Å; D103-I111 HydrophobicContact CB-CG1 3.96Å; D103-I111 PolarHBondContact N-O 2.82Å; D103-I111 WeakPolarHBondContact O-CG1 3.32Å; D103-I111 PolarHBondContact O-N 3.2Å; K105-I111 VanDerWaalsContact CE-CD1 3.43Å |
| 112 | L | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.5 | 168.8 | -172.7 | 71.1 | 0 | 0 | 0 | 109.8 | I47 G50 T51 I53 F102 R114 L116 | I47-L112 HydrophobicContact CB-CD2 4.44Å; I47-L112 HydrophobicContact CG2-CD2 4.03Å; I47-L112 WeakPolarHBondContact O-CD2 3.49Å; G50-L112 WeakPolarHBondContact CA-O 3.45Å; G50-L112 PolarHBondContact N-O 2.77Å; T51-L112 PolarHBondContact O-N 2.67Å; I53-L112 HydrophobicContact CD1-CB 4.33Å; F102-L112 HydrophobicContact CD1-CD1 4.04Å; F102-L112 HydrophobicContact CE1-CD1 3.64Å; F102-L112 HydrophobicContact CZ-CD1 4.49Å; L112-R114 WeakPolarHBondContact CD1-O 3.29Å; L112-R114 WeakPolarHBondContact CG-O 3.03Å; L112-L116 HydrophobicContact CD1-CB 4.22Å; L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 HydrophobicContact CD2-CB 4.37Å |
| 113 | S | 86.4 | Confident | 84.4 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | trans | -103.6 | -14 | -175.4 | 77.9 | 0 | 0 | 0 | 0 | 114 | I49 N100 L101 | I49-S113 WeakPolarHBondContact CG2-O 3.09Å; N100-S113 PolarHBondContact O-OG 2.74Å; L101-S113 PolarHBondContact O-N 2.77Å; L101-S113 PolarHBondContact O-OG 3.13Å; L101-S113 VanDerWaalsContact O-OG 3.13Å | ||
| 114 | R | 86.3 | Confident | 83.3 | Confident | 135 Ų | 135 | 55 Ų | 55 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -146.6 | 161.1 | -174.8 | -69.8 | 175.8 | 171.7 | -164.4 | -8.3 | 110.2 | N100 L101 L112 | N100-R114 PolarHBondContact OD1-NH1 3.12Å; L101-R114 HydrophobicContact CD2-CB 3.59Å; L101-R114 HydrophobicContact CD2-CG 4.37Å; L112-R114 WeakPolarHBondContact CD1-O 3.29Å; L112-R114 WeakPolarHBondContact CG-O 3.03Å |
| 115 | R | 85.6 | Confident | 81.6 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 50% | 0.502 | 29% | 0.293 | S | S | . | . | trans | -57.5 | 138 | 174.2 | -171.9 | -178 | -171.7 | -129.3 | 5.9 | 109.4 | E46 D117 | E46-R115 IonicContact OE1-CZ 3.7Å; E46-R115 IonicContact OE1-NE 2.62Å; E46-R115 PolarHBondContact OE1-NE 3.21Å; E46-R115 IonicContact OE1-NH1 3.77Å; E46-R115 IonicContact OE1-NH2 3.26Å; E46-R115 PolarHBondContact OE1-NH2 3.44Å; E46-R115 IonicContact OE2-CZ 2.69Å; E46-R115 IonicContact OE2-NE 3.19Å; E46-R115 PolarHBondContact OE2-NE 3.26Å; E46-R115 IonicContact OE2-NH2 2.76Å; E46-R115 PolarHBondContact OE2-NH2 2.96Å; R115-D117 IonicContact NH1-OD2 3.92Å | ||
| 116 | L | 87.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -105.2 | 115.1 | 176.4 | -166.4 | 70 | 0 | 0 | 0 | 107.4 | I43 E46 L101 F102 L112 I121 I199 | I43-L116 HydrophobicContact CD1-CD2 4.13Å; I43-L116 HydrophobicContact CG1-CD2 4.2Å; I43-L116 HydrophobicContact CG2-CD2 3.62Å; E46-L116 PolarHBondContact N-O 2.81Å; L101-L116 HydrophobicContact CD1-CD1 3.78Å; F102-L116 HydrophobicContact CZ-CD1 4.31Å; L112-L116 HydrophobicContact CD1-CB 4.22Å; L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 HydrophobicContact CD2-CB 4.37Å; L116-I121 HydrophobicContact CD1-CD1 3.66Å; L116-I121 HydrophobicContact CG-CD1 4.4Å; L116-I199 HydrophobicContact CD1-CD1 3.76Å; L116-I199 HydrophobicContact CD1-CG1 4.45Å; L116-I199 HydrophobicContact CD2-CD1 4.32Å; L116-I199 HydrophobicContact CD2-CG1 4.22Å; L116-I199 HydrophobicContact CD2-CG2 3.99Å; L116-I199 HydrophobicContact CG-CD1 4.16Å; L116-I199 HydrophobicContact CG-CG2 4.3Å | ||
| 117 | D | 87.4 | Confident | 77.3 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | trans | -127.8 | 111.4 | -177.8 | 170.9 | -49.1 | 0 | 0 | 0 | 105.2 | R115 D119 Q120 I121 | R115-D117 IonicContact NH1-OD2 3.92Å; D117-D119 PolarHBondContact OD1-N 3.39Å; D117-Q120 HydrophobicContact CB-CB 4.48Å; D117-Q120 VanDerWaalsContact CG-NE2 3.29Å; D117-Q120 WeakPolarHBondContact OD1-CB 3.31Å; D117-Q120 VanDerWaalsContact OD1-CG 3.25Å; D117-Q120 WeakPolarHBondContact OD1-CG 3.26Å; D117-Q120 PolarHBondContact OD1-N 2.88Å; D117-Q120 PolarHBondContact OD2-NE2 2.83Å; D117-I121 WeakPolarHBondContact O-CD1 3.36Å; D117-I121 WeakPolarHBondContact O-CG1 3.36Å; D117-I121 PolarHBondContact O-N 3.49Å | ||
| 118 | R | 86.6 | Confident | 74.8 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73 | -36.5 | -167.7 | -172.6 | -141.7 | 69.1 | 165.4 | -8.5 | 111 | E45 Q120 I121 C122 C160 I199 D201 N238 | E45-R118 HydrophobicContact CB-CB 4.16Å; E45-R118 HydrophobicContact CG-CB 4.42Å; E45-R118 WeakPolarHBondContact OE1-CB 3.36Å; E45-R118 WeakPolarHBondContact OE2-CA 3.04Å; E45-R118 WeakPolarHBondContact OE2-CB 3.43Å; E45-R118 PolarHBondContact OE2-N 2.83Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 2.8Å; R118-I121 CarbonylContact O-C 3.56Å; R118-I121 PolarHBondContact O-N 2.96Å; R118-C122 PolarHBondContact O-N 3.17Å; R118-C160 HydrophobicContact CG-CB 4.05Å; R118-I199 HydrophobicContact CB-CG2 3.91Å; R118-I199 HydrophobicContact CG-CB 4.34Å; R118-I199 HydrophobicContact CG-CG2 3.87Å; R118-D201 IonicContact CZ-OD1 2.8Å; R118-D201 IonicContact NE-OD1 3.68Å; R118-D201 IonicContact NH1-OD1 2.73Å; R118-D201 PolarHBondContact NH1-OD1 2.83Å; R118-D201 IonicContact NH2-OD1 3.62Å; R118-D201 PolarHBondContact NH2-OD1 2.71Å; R118-N238 PolarHBondContact NH2-O 2.98Å |
| 119 | D | 84.1 | Confident | 72.3 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -34.7 | -179.9 | -75.9 | -0.7 | 0 | 0 | 0 | 112.9 | D117 I121 P123 N205 N238 | D117-D119 PolarHBondContact OD1-N 3.39Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-P123 VanDerWaalsContact O-CA 3.3Å; D119-P123 WeakPolarHBondContact O-CA 2.78Å; D119-P123 WeakPolarHBondContact O-CB 3.49Å; D119-P123 WeakPolarHBondContact O-CD 3.14Å; D119-N205 PolarHBondContact OD2-ND2 3.36Å; D119-N238 WeakPolarHBondContact OD2-CB 2.92Å |
| 120 | Q | 83.6 | Confident | 69.5 | Low | 135 Ų | 135 | 79 Ų | 79 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.4 | -19.4 | 172.8 | -70.6 | -177.7 | 57.1 | 0 | 0 | 113.7 | Y98 D117 R118 | Y98-Q120 PolarHBondContact OH-O 3.01Å; D117-Q120 HydrophobicContact CB-CB 4.48Å; D117-Q120 VanDerWaalsContact CG-NE2 3.29Å; D117-Q120 WeakPolarHBondContact OD1-CB 3.31Å; D117-Q120 VanDerWaalsContact OD1-CG 3.25Å; D117-Q120 WeakPolarHBondContact OD1-CG 3.26Å; D117-Q120 PolarHBondContact OD1-N 2.88Å; D117-Q120 PolarHBondContact OD2-NE2 2.83Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 2.8Å |
| 121 | I | 82.9 | Confident | 66.5 | Low | 23 Ų | 23 | 83.7 Ų | 83.7 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -94.1 | -38.5 | 179.9 | -60.4 | 165.3 | 0 | 0 | 0 | 110.9 | Y98 L101 L116 D117 R118 D119 I162 I199 | Y98-I121 HydrophobicContact CD1-CB 4.25Å; Y98-I121 HydrophobicContact CD1-CD1 4.5Å; Y98-I121 HydrophobicContact CD1-CG1 3.69Å; Y98-I121 HydrophobicContact CD1-CG2 3.96Å; Y98-I121 HydrophobicContact CD2-CG2 4.39Å; Y98-I121 HydrophobicContact CE1-CB 4.05Å; Y98-I121 HydrophobicContact CE1-CG1 3.71Å; Y98-I121 HydrophobicContact CE1-CG2 4.06Å; Y98-I121 HydrophobicContact CG-CG2 4.1Å; L101-I121 HydrophobicContact CD1-CD1 3.87Å; L116-I121 HydrophobicContact CD1-CD1 3.66Å; L116-I121 HydrophobicContact CG-CD1 4.4Å; D117-I121 WeakPolarHBondContact O-CD1 3.36Å; D117-I121 WeakPolarHBondContact O-CG1 3.36Å; D117-I121 PolarHBondContact O-N 3.49Å; R118-I121 CarbonylContact O-C 3.56Å; R118-I121 PolarHBondContact O-N 2.96Å; D119-I121 VanDerWaalsContact C-N 3.31Å; I121-I162 HydrophobicContact CD1-CD1 4.42Å; I121-I162 HydrophobicContact CG2-CD1 4.4Å; I121-I199 HydrophobicContact CD1-CD1 3.62Å; I121-I199 HydrophobicContact CG2-CD1 4.21Å |
| 122 | C | 81.7 | Confident | 63.6 | Low | 34 Ų | 34 | 89 Ų | 89 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -135.8 | 60.2 | -172.4 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | R118 K124 C160 | R118-C122 PolarHBondContact O-N 3.17Å; C122-K124 PolarHBondContact O-N 3.03Å; C122-C160 HydrophobicContact CB-CB 3.7Å; C122-C160 WeakPolarHBondContact CB-SG 3.18Å; C122-C160 WeakPolarHBondContact SG-CA 3.3Å; C122-C160 WeakPolarHBondContact SG-CB 3.46Å; C122-C160 CovalentContact SG-SG 2.03Å; C122-C160 PolarHBondContact SG-SG 2.93Å |
| 123 | P | 71.1 | Confident | 60.7 | Low | 87 Ų | 87 | 93.9 Ų | 93.9 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -62 | 134.1 | -179.7 | 25.7 | -34.5 | 0 | 0 | 0 | 110.7 | D119 Q125 | D119-P123 VanDerWaalsContact O-CA 3.3Å; D119-P123 WeakPolarHBondContact O-CA 2.78Å; D119-P123 WeakPolarHBondContact O-CB 3.49Å; D119-P123 WeakPolarHBondContact O-CD 3.14Å; P123-Q125 PolarHBondContact O-N 3.1Å |
| 124 | K | 64.5 | Low | 57.9 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 35% | 0.352 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 116 | 174.2 | -79.4 | -178.1 | 176.7 | 168.6 | 0 | 110.9 | C122 Q126 D237 N238 D239 E240 | C122-K124 PolarHBondContact O-N 3.03Å; K124-Q126 PolarHBondContact O-N 2.83Å; K124-D237 PolarHBondContact NZ-O 2.75Å; K124-N238 WeakPolarHBondContact CD-O 3.34Å; K124-N238 WeakPolarHBondContact CE-O 3.17Å; K124-N238 PolarHBondContact NZ-O 3.19Å; K124-D239 WeakPolarHBondContact CE-O 3.49Å; K124-D239 PolarHBondContact NZ-O 2.64Å; K124-E240 HydrophobicContact CG-CG 4.12Å |
| 125 | Q | 50.8 | Low | 55.1 | Low | 157 Ų | 157 | 97.5 Ų | 97.5 | 73% | 0.734 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 133.7 | 164.7 | -64.2 | -168.8 | 16.1 | 0 | 0 | 108.2 | P123 H127 | P123-Q125 PolarHBondContact O-N 3.1Å; Q125-H127 PolarHBondContact O-N 2.86Å |
| 126 | Q | 37.5 | Very low | 52.5 | Low | 169 Ų | 169 | 97.2 Ų | 97.2 | 79% | 0.79 | 51% | 0.512 | S | S | * | . | trans | -71.2 | 76.1 | 176.5 | -71 | -174.5 | -36.8 | 0 | 0 | 110.2 | K124 T128 | K124-Q126 PolarHBondContact O-N 2.83Å; Q126-T128 PolarHBondContact O-N 2.95Å | ||
| 127 | H | 34.5 | Very low | 49.7 | Very low | 154 Ų | 154 | 102.5 Ų | 102.5 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | trans | -73 | 96.6 | 174.7 | -95 | -72.4 | 0 | 0 | 0 | 110.3 | Q125 | Q125-H127 PolarHBondContact O-N 2.86Š| ||
| 128 | T | 26.4 | Very low | 47 | Very low | 108 Ų | 108 | 105 Ų | 105 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | trans | -57.3 | 147.7 | 154.2 | 52 | 0 | 0 | 0 | 0 | 110.1 | Q126 | Q126-T128 PolarHBondContact O-N 2.95Š| ||
| 129 | D | 27 | Very low | 44.3 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 79% | 0.791 | 61% | 0.611 | S | S | * | * | trans | 70.2 | 76.9 | 164.7 | -47.6 | -28.8 | 0 | 0 | 0 | 118.1 | ||||
| 130 | L | 27.7 | Very low | 41.8 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 82% | 0.817 | 64% | 0.643 | S | S | * | * | trans | -153.1 | 129 | 146.8 | -104.6 | 142.3 | 0 | 0 | 0 | 110.5 | ||||
| 131 | P | 26.9 | Very low | 39.1 | Very low | 99 Ų | 99 | 118.8 Ų | 118.8 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 136.6 | -165.5 | 32.8 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 132 | L | 27.4 | Very low | 36.4 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 154.3 | 171.8 | -79.7 | 166.4 | 0 | 0 | 0 | 112.3 | ||
| 133 | V | 29.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 124.3 | -161.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | I135 | V133-I135 PolarHBondContact O-N 2.86Š|
| 134 | N | 26.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 122.1 | 173.9 | -173.2 | -10 | 0 | 0 | 0 | 111.4 | D136 | N134-D136 PolarHBondContact OD1-N 3Š|
| 135 | I | 28.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | -124.3 | 83.4 | 174 | -57.3 | 178.7 | 0 | 0 | 0 | 108.2 | V133 S137 | V133-I135 PolarHBondContact O-N 2.86Å; I135-S137 PolarHBondContact O-N 2.97Å | ||
| 136 | D | 30.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | trans | -75.9 | 114.2 | 170.1 | -171.6 | -6.2 | 0 | 0 | 0 | 109.5 | N134 | N134-D136 PolarHBondContact OD1-N 3Š| ||
| 137 | S | 29 | Very low | 28.8 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -124.7 | 53.2 | -169.1 | 74 | 0 | 0 | 0 | 0 | 113.7 | I135 | I135-S137 PolarHBondContact O-N 2.97Š| ||
| 138 | A | 30.6 | Very low | 28.7 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -123.7 | 0.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 139 | Q | 30.3 | Very low | 28.8 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -158.3 | 156.8 | 165.8 | -125.2 | 168.3 | 88.2 | 0 | 0 | 115.7 | ||
| 140 | F | 31.1 | Very low | 29.1 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | 58.9 | 108.5 | 172.4 | -82.6 | -83.7 | 0 | 0 | 0 | 120 | ||||
| 141 | S | 25.5 | Very low | 29.2 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | -75.6 | 167.5 | 159.8 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 142 | S | 27 | Very low | 29.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 86.7 | 137.6 | 172.5 | 81.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 143 | V | 27.6 | Very low | 29.6 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 61.4 | 84.2 | 175.8 | -163.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 144 | Y | 29.5 | Very low | 29.5 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | -159.8 | 158.7 | 115.3 | -99.8 | -65.6 | 0 | 0 | 0 | 110.7 | |||||
| 145 | T | 30.3 | Very low | 29.7 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | trans | -119.9 | 117.9 | -149.5 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | T147 | T145-T147 VanDerWaalsContact C-N 3.28Å; T145-T147 PolarHBondContact O-N 3.12Å; T145-T147 PolarHBondContact O-OG1 3.01Å | ||
| 146 | S | 27 | Very low | 30.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 46.5 | -15 | 142.3 | 57.8 | 0 | 0 | 0 | 0 | 123.7 | ||
| 147 | T | 31.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -101.5 | -19.8 | -167.4 | 50.3 | 0 | 0 | 0 | 0 | 115.9 | T145 | T145-T147 VanDerWaalsContact C-N 3.28Å; T145-T147 PolarHBondContact O-N 3.12Å; T145-T147 PolarHBondContact O-OG1 3.01Å |
| 148 | H | 31.8 | Very low | 31.8 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -89.4 | -9.6 | -177.8 | -106.7 | -62.1 | 0 | 0 | 0 | 115.4 | Q150 | H148-Q150 VanDerWaalsContact C-N 3.31Å; H148-Q150 PolarHBondContact O-N 3.16Å |
| 149 | R | 29.9 | Very low | 33.3 | Very low | 212 Ų | 212 | 142.1 Ų | 142.1 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 2.1 | -172.6 | -103.4 | -174.6 | 179.1 | -172.1 | -1.6 | 116.1 | ||
| 150 | Q | 32.6 | Very low | 35.8 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -12.7 | -177.9 | -71.3 | -170.6 | -48.5 | 0 | 0 | 115.5 | H148 | H148-Q150 VanDerWaalsContact C-N 3.31Å; H148-Q150 PolarHBondContact O-N 3.16Å |
| 151 | N | 29.9 | Very low | 38.3 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -98.3 | -1.4 | -170.9 | -71.6 | 13.3 | 0 | 0 | 0 | 115.3 | ||
| 152 | I | 30.9 | Very low | 41.3 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -88.6 | -8 | 179.1 | -64.3 | 173.2 | 0 | 0 | 0 | 111.7 | Q154 | I152-Q154 PolarHBondContact O-N 3.18Š|
| 153 | L | 31.3 | Very low | 44.1 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 83% | 0.827 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 28.9 | 175.4 | -76.3 | 161.9 | 0 | 0 | 0 | 113.4 | ||
| 154 | Q | 27.1 | Very low | 47 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 78% | 0.776 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 15.9 | -177.4 | -71.8 | -164.7 | -26.9 | 0 | 0 | 114.6 | I152 | I152-Q154 PolarHBondContact O-N 3.18Š|
| 155 | T | 32.1 | Very low | 49.7 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 72% | 0.724 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -59.9 | 141.3 | 154.5 | 37.1 | 0 | 0 | 0 | 0 | 109 | K157 | T155-K157 PolarHBondContact O-N 3.05Š|
| 156 | E | 35.8 | Very low | 52.3 | Low | 182 Ų | 182 | 102.8 Ų | 102.8 | 85% | 0.85 | 52% | 0.523 | S | S | * | . | trans | -60.8 | 134.4 | -171.1 | -60.9 | -176.5 | 132.8 | 0 | 0 | 110.6 | I158 | E156-I158 PolarHBondContact O-N 2.9Š| ||
| 157 | K | 42.6 | Very low | 54.8 | Low | 178 Ų | 178 | 97.2 Ų | 97.2 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | trans | -64 | 99.2 | 171 | -89 | -167.3 | 171.6 | -169.2 | 0 | 108.6 | T155 S159 | T155-K157 PolarHBondContact O-N 3.05Å; K157-S159 WeakPolarHBondContact O-CB 3.02Å; K157-S159 PolarHBondContact O-N 2.78Å; K157-S159 PolarHBondContact O-OG 3.29Å | ||
| 158 | I | 53.5 | Low | 57.1 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 59% | 0.59 | 46% | 0.458 | S | S | * | . | trans | -61.5 | 85.2 | 159.9 | -57.9 | 179.9 | 0 | 0 | 0 | 106 | E156 C160 | E156-I158 PolarHBondContact O-N 2.9Å; I158-C160 PolarHBondContact O-N 2.81Å | ||
| 159 | S | 60.7 | Low | 59.1 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | trans | -96.5 | 84.9 | -166.6 | 26.5 | 0 | 0 | 0 | 0 | 107.4 | K157 S161 | K157-S159 WeakPolarHBondContact O-CB 3.02Å; K157-S159 PolarHBondContact O-N 2.78Å; K157-S159 PolarHBondContact O-OG 3.29Å; S159-S161 WeakPolarHBondContact O-CB 3.36Å; S159-S161 PolarHBondContact O-N 2.95Å; S159-S161 PolarHBondContact O-OG 3.02Å | ||
| 160 | C | 83.4 | Confident | 60.7 | Low | 10 Ų | 10 | 80.6 Ų | 80.6 | 7% | 0.068 | 41% | 0.41 | C | S | . | . | trans | -52.1 | 106.3 | 174.6 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | R118 C122 I158 I199 | R118-C160 HydrophobicContact CG-CB 4.05Å; C122-C160 HydrophobicContact CB-CB 3.7Å; C122-C160 WeakPolarHBondContact CB-SG 3.18Å; C122-C160 WeakPolarHBondContact SG-CA 3.3Å; C122-C160 WeakPolarHBondContact SG-CB 3.46Å; C122-C160 CovalentContact SG-SG 2.03Å; C122-C160 PolarHBondContact SG-SG 2.93Å; I158-C160 PolarHBondContact O-N 2.81Å; C160-I199 HydrophobicContact CB-CB 4.33Å; C160-I199 PolarHBondContact O-N 3.01Å | ||
| 161 | S | 84.8 | Confident | 62 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 136.6 | -168.9 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | S159 R196 I197 | S159-S161 WeakPolarHBondContact O-CB 3.36Å; S159-S161 PolarHBondContact O-N 2.95Å; S159-S161 PolarHBondContact O-OG 3.02Å; S161-R196 PolarHBondContact OG-NH1 2.91Å; S161-R196 VanDerWaalsContact OG-NH1 3.12Å; S161-I197 CarbonylContact C-O 3.53Å; S161-I197 WeakPolarHBondContact CA-O 3.35Å; S161-I197 WeakPolarHBondContact CB-O 3.39Å |
| 162 | I | 87 | Confident | 62.9 | Low | 7 Ų | 7 | 80.8 Ų | 80.8 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | -178.6 | -58 | 164.2 | 0 | 0 | 0 | 107.7 | V99 L101 F102 I121 I197 I199 | V99-I162 HydrophobicContact CG2-CG2 3.83Å; L101-I162 HydrophobicContact CD1-CD1 4.06Å; F102-I162 HydrophobicContact CD2-CG2 4.49Å; F102-I162 HydrophobicContact CE2-CB 4.1Å; F102-I162 HydrophobicContact CE2-CD1 3.66Å; F102-I162 HydrophobicContact CE2-CG1 4.5Å; F102-I162 HydrophobicContact CE2-CG2 3.93Å; F102-I162 HydrophobicContact CZ-CD1 4Å; I121-I162 HydrophobicContact CD1-CD1 4.42Å; I121-I162 HydrophobicContact CG2-CD1 4.4Å; I162-I197 PolarHBondContact N-O 2.97Å; I162-I197 PolarHBondContact O-N 3.07Å; I162-I199 HydrophobicContact CD1-CD1 3.92Å; I162-I199 HydrophobicContact CG1-CD1 4.42Å |
| 163 | I | 86.9 | Confident | 63.4 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.3 | 179.6 | -60.5 | 176.5 | 0 | 0 | 0 | 109.5 | I37 N93 V99 H194 I195 | I37-I163 HydrophobicContact CD1-CD1 4.48Å; N93-I163 PolarHBondContact ND2-O 3.4Å; V99-I163 WeakPolarHBondContact CG2-O 3.3Å; I163-H194 HydrophobicContact CG2-CB 4.47Å; I163-I195 CarbonylContact C-O 3.54Å; I163-I195 VanDerWaalsContact CA-O 3.32Å; I163-I195 WeakPolarHBondContact CA-O 3.22Å |
| 164 | L | 87.5 | Confident | 63.8 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.7 | 169.7 | -61.7 | -179.3 | 0 | 0 | 0 | 109.9 | I91 V99 F102 I110 I166 H194 I195 I197 | I91-L164 HydrophobicContact CD1-CD2 4.36Å; V99-L164 HydrophobicContact CB-CD2 4.31Å; V99-L164 HydrophobicContact CG1-CD2 3.78Å; V99-L164 HydrophobicContact CG2-CD2 4.13Å; F102-L164 HydrophobicContact CB-CD1 4.13Å; F102-L164 HydrophobicContact CB-CD2 4.12Å; F102-L164 HydrophobicContact CD2-CD2 3.87Å; F102-L164 HydrophobicContact CD2-CG 4.5Å; F102-L164 HydrophobicContact CG-CD1 4.37Å; F102-L164 HydrophobicContact CG-CD2 4.33Å; I110-L164 HydrophobicContact CD1-CD1 3.9Å; I110-L164 HydrophobicContact CG2-CD1 3.86Å; L164-I166 HydrophobicContact CB-CD1 4.26Å; L164-I166 HydrophobicContact CB-CG1 4.48Å; L164-H194 CarbonylContact O-C 3.56Å; L164-H194 WeakPolarHBondContact O-CA 3.45Å; L164-I195 HydrophobicContact CB-CB 4.42Å; L164-I195 PolarHBondContact N-O 2.76Å; L164-I195 PolarHBondContact O-N 2.87Å; L164-I197 HydrophobicContact CD1-CD1 3.63Å; L164-I197 HydrophobicContact CG-CD1 4.11Å |
| 165 | Q | 86.9 | Confident | 64.1 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.6 | 163.5 | -69.4 | -173.7 | -28.4 | 0 | 0 | 108.9 | I91 M92 N93 F193 H194 | I91-Q165 CarbonylContact C-O 3.53Å; I91-Q165 VanDerWaalsContact CA-O 3.28Å; I91-Q165 WeakPolarHBondContact CA-O 3.07Å; M92-Q165 HydrophobicContact CB-CB 3.95Å; M92-Q165 PolarHBondContact N-O 3.34Å; N93-Q165 HydrophobicContact CB-CB 4.08Å; N93-Q165 HydrophobicContact CB-CG 4.15Å; N93-Q165 PolarHBondContact OD1-N 2.89Å; Q165-F193 CarbonylContact C-O 3.57Å; Q165-F193 WeakPolarHBondContact CA-O 3.43Å; Q165-H194 PolarHBondContact NE2-NE2 2.66Å |
| 166 | I | 84.4 | Confident | 64.2 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.2 | -177.1 | -68.2 | 154.5 | 0 | 0 | 0 | 109.5 | I56 L89 M90 I91 I104 I110 L164 L192 F193 I195 | I56-I166 HydrophobicContact CD1-CB 4.3Å; I56-I166 HydrophobicContact CD1-CD1 4.09Å; I56-I166 HydrophobicContact CD1-CG2 4.09Å; L89-I166 HydrophobicContact CD2-CG2 3.86Å; M90-I166 CarbonylContact O-C 3.58Å; M90-I166 WeakPolarHBondContact O-CA 3.23Å; I91-I166 HydrophobicContact CG1-CG1 4.06Å; I104-I166 HydrophobicContact CD1-CD1 3.84Å; I104-I166 HydrophobicContact CD1-CG1 4.08Å; I104-I166 HydrophobicContact CD1-CG2 3.79Å; I110-I166 HydrophobicContact CD1-CD1 3.77Å; L164-I166 HydrophobicContact CB-CD1 4.26Å; L164-I166 HydrophobicContact CB-CG1 4.48Å; I166-L192 CarbonylContact O-C 3.58Å; I166-L192 WeakPolarHBondContact O-CA 3.4Å; I166-F193 PolarHBondContact N-O 2.8Å; I166-F193 PolarHBondContact O-N 3.39Å; I166-I195 HydrophobicContact CD1-CD1 3.77Å; I166-I195 HydrophobicContact CD1-CG1 4.32Å |
| 167 | G | 80.7 | Confident | 64.1 | Low | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 M90 F169 | L89-G167 WeakPolarHBondContact CA-O 3.17Å; M90-G167 PolarHBondContact N-O 2.69Å; M90-G167 PolarHBondContact O-N 2.7Å; G167-F169 WeakPolarHBondContact O-CE2 3.34Å |
| 168 | L | 78.8 | Confident | 63.7 | Low | 25 Ų | 25 | 79.9 Ų | 79.9 | 13% | 0.131 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.7 | 168.4 | 176.1 | 68.1 | 0 | 0 | 0 | 109.4 | M57 Y87 S88 L89 I190 R191 F193 | M57-L168 HydrophobicContact CE-CD1 4.25Å; Y87-L168 HydrophobicContact CD2-CD1 3.89Å; Y87-L168 HydrophobicContact CG-CD1 4.27Å; S88-L168 WeakPolarHBondContact O-CA 3.18Å; L89-L168 HydrophobicContact CD2-CB 4.04Å; L89-L168 HydrophobicContact CD2-CD1 3.83Å; L89-L168 HydrophobicContact CG-CD1 4.25Å; L168-I190 WeakPolarHBondContact O-CA 3.46Å; L168-R191 HydrophobicContact CB-CB 4.49Å; L168-R191 PolarHBondContact N-O 2.75Å; L168-R191 PolarHBondContact O-N 2.87Å; L168-F193 HydrophobicContact CB-CE2 3.84Å; L168-F193 HydrophobicContact CD2-CE2 4.05Å; L168-F193 HydrophobicContact CD2-CZ 4.41Å |
| 169 | F | 73.5 | Confident | 62.7 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 22% | 0.219 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.5 | -178.2 | -57.1 | -98.9 | 0 | 0 | 0 | 110.7 | Y87 S88 M90 M92 G167 I190 | Y87-F169 CarbonylContact C-O 3.47Å; Y87-F169 WeakPolarHBondContact CA-O 3.48Å; Y87-F169 WeakPolarHBondContact CB-O 3.41Å; S88-F169 PolarHBondContact N-O 2.83Å; S88-F169 PolarHBondContact O-N 3.41Å; M90-F169 HydrophobicContact CB-CE2 4.12Å; M92-F169 HydrophobicContact CE-CZ 4.28Å; M92-F169 HydrophobicContact SD-CE2 4.19Å; M92-F169 HydrophobicContact SD-CZ 3.87Å; G167-F169 WeakPolarHBondContact O-CE2 3.34Å; F169-I190 HydrophobicContact CD1-CD1 3.96Å; F169-I190 HydrophobicContact CD1-CG1 3.83Å; F169-I190 HydrophobicContact CD1-CG2 4.42Å; F169-I190 HydrophobicContact CE1-CD1 3.8Å; F169-I190 HydrophobicContact CE1-CG1 4.12Å; F169-I190 HydrophobicContact CE1-CG2 4.3Å |
| 170 | I | 63.4 | Low | 61.5 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142 | 180 | -55.7 | 177.5 | 0 | 0 | 0 | 111 | S86 Q189 | S86-I170 WeakPolarHBondContact O-CA 3.3Å; I170-Q189 HydrophobicContact CD1-CB 4.42Å; I170-Q189 PolarHBondContact N-O 2.86Å |
| 171 | H | 60.5 | Low | 58.7 | Low | 99 Ų | 99 | 94 Ų | 94 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | trans | -111.8 | 153.2 | -172.5 | -66.6 | -119.3 | 0 | 0 | 0 | 113.4 | S86 | S86-H171 PolarHBondContact O-N 2.95Š| ||
| 172 | Q | 49.1 | Very low | 55.9 | Low | 186 Ų | 186 | 98.7 Ų | 98.7 | 87% | 0.869 | 52% | 0.518 | S | S | * | . | trans | -149.7 | 155.1 | -175.1 | -166.2 | 169.3 | -4.8 | 0 | 0 | 111.4 | ||||
| 173 | K | 42.1 | Very low | 53.3 | Low | 164 Ų | 164 | 107.1 Ų | 107.1 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | trans | -107.1 | 150.9 | -176.8 | -87.4 | 161.2 | 174 | 148.9 | 0 | 112.2 | D84 | D84-K173 IonicContact OD1-NZ 3.91Å; D84-K173 PolarHBondContact OD1-NZ 2.82Å; D84-K173 IonicContact OD2-NZ 3.84Å; D84-K173 PolarHBondContact OD2-NZ 3.03Å | ||
| 174 | D | 38 | Very low | 50.7 | Low | 175 Ų | 175 | 108.2 Ų | 108.2 | 94% | 0.936 | 58% | 0.576 | S | S | * | * | trans | -87.1 | 165.2 | -163 | -74 | -61.5 | 0 | 0 | 0 | 118.4 | ||||
| 175 | G | 34.8 | Very low | 48.1 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | trans | -177.5 | 101 | 165 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 176 | I | 34.5 | Very low | 45.4 | Very low | 178 Ų | 178 | 119.7 Ų | 119.7 | 91% | 0.913 | 64% | 0.639 | S | S | * | * | trans | 78.8 | 155.8 | 155.9 | -55 | 178.8 | 0 | 0 | 0 | 117.8 | ||||
| 177 | I | 33.1 | Very low | 43 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -123.1 | 143.2 | -153.1 | -62 | 157 | 0 | 0 | 0 | 112.5 | ||||
| 178 | N | 33.7 | Very low | 41.1 | Very low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | trans | -166.8 | 160.3 | 140.7 | -108.4 | -39.4 | 0 | 0 | 0 | 114.9 | ||||
| 179 | K | 33.1 | Very low | 39.5 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | -95.3 | 129.5 | -177.1 | -65.4 | 174.7 | 176.7 | 176.6 | 0 | 113.4 | ||||
| 180 | V | 34.6 | Very low | 38.9 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -150.2 | 159.8 | 138 | 169.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 181 | N | 26.1 | Very low | 39 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 170.9 | -175.9 | -62 | -22 | 0 | 0 | 0 | 114.6 | ||||
| 182 | T | 26.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | 83.4 | 156.9 | 168.2 | 68.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 183 | E | 31.3 | Very low | 41.1 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | trans | -14.6 | 154.3 | 172 | -59.6 | 169.6 | 143.9 | 0 | 0 | 120.9 | ||||
| 184 | A | 32 | Very low | 43 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | 88.6 | 139.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 185 | N | 33.5 | Very low | 45.3 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 65% | 0.652 | 63% | 0.632 | S | S | * | * | trans | 57.7 | 84.1 | 152.6 | -62.2 | -28.5 | 0 | 0 | 0 | 120 | ||||
| 186 | N | 30.1 | Very low | 47.8 | Very low | 179 Ų | 179 | 119.8 Ų | 119.8 | 96% | 0.957 | 61% | 0.609 | S | S | * | * | trans | -131.2 | 73.6 | 133.8 | -112.8 | -16.9 | 0 | 0 | 0 | 109.3 | K188 | N186-K188 PolarHBondContact O-N 2.78Š| ||
| 187 | K | 34.7 | Very low | 50.4 | Low | 169 Ų | 169 | 111.3 Ų | 111.3 | 74% | 0.735 | 57% | 0.566 | S | S | * | * | trans | -82.9 | 103.7 | -174.7 | -72.3 | -174.8 | 177.6 | -178 | 0 | 111.6 | Q189 | K187-Q189 PolarHBondContact O-N 2.87Š| ||
| 188 | K | 40.2 | Very low | 53 | Low | 152 Ų | 152 | 104.8 Ų | 104.8 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | trans | -57.7 | 126.4 | 147.7 | -81.4 | -171.2 | 174.1 | -174.1 | 0 | 107.7 | N186 I190 | N186-K188 PolarHBondContact O-N 2.78Å; K188-I190 PolarHBondContact O-N 2.84Å | ||
| 189 | Q | 45.6 | Very low | 55.5 | Low | 128 Ų | 128 | 97.6 Ų | 97.6 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | trans | -76.8 | 115.9 | 171 | -75.5 | -175.3 | -37.1 | 0 | 0 | 108.8 | I170 K187 | I170-Q189 HydrophobicContact CD1-CB 4.42Å; I170-Q189 PolarHBondContact N-O 2.86Å; K187-Q189 PolarHBondContact O-N 2.87Å | ||
| 190 | I | 59.7 | Low | 58 | Low | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.6 | 165.7 | -56.4 | 174 | 0 | 0 | 0 | 106.3 | L168 F169 K188 | L168-I190 WeakPolarHBondContact O-CA 3.46Å; F169-I190 HydrophobicContact CD1-CD1 3.96Å; F169-I190 HydrophobicContact CD1-CG1 3.83Å; F169-I190 HydrophobicContact CD1-CG2 4.42Å; F169-I190 HydrophobicContact CE1-CD1 3.8Å; F169-I190 HydrophobicContact CE1-CG1 4.12Å; F169-I190 HydrophobicContact CE1-CG2 4.3Å; K188-I190 PolarHBondContact O-N 2.84Å |
| 191 | R | 66.8 | Low | 60.3 | Low | 96 Ų | 96 | 87.7 Ų | 87.7 | 36% | 0.362 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.9 | 162 | -78.7 | 179.5 | 164.2 | -176 | -11.7 | 108.2 | Y64 L168 F193 | Y64-R191 VanDerWaalsContact OH-CZ 3.28Å; Y64-R191 PolarHBondContact OH-NH1 2.9Å; Y64-R191 VanDerWaalsContact OH-NH1 3.08Å; Y64-R191 PolarHBondContact OH-NH2 2.87Å; L168-R191 HydrophobicContact CB-CB 4.49Å; L168-R191 PolarHBondContact N-O 2.75Å; L168-R191 PolarHBondContact O-N 2.87Å; R191-F193 HydrophobicContact CB-CE2 4.18Å; R191-F193 HydrophobicContact CB-CZ 4.01Å |
| 192 | L | 74.1 | Confident | 63 | Low | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143.5 | 168.1 | -135.9 | 81.3 | 0 | 0 | 0 | 107.9 | M92 I166 | M92-L192 HydrophobicContact CE-CD1 4.45Å; M92-L192 HydrophobicContact CG-CD1 4Å; I166-L192 CarbonylContact O-C 3.58Å; I166-L192 WeakPolarHBondContact O-CA 3.4Å |
| 193 | F | 78.7 | Confident | 65.9 | Low | 8 Ų | 8 | 77.8 Ų | 77.8 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.3 | 169.7 | -57.5 | -70.8 | 0 | 0 | 0 | 109.2 | D38 I56 L60 Q165 I166 L168 R191 | D38-F193 HydrophobicContact CB-CB 4.42Å; D38-F193 HydrophobicContact CB-CD1 4.38Å; D38-F193 VanDerWaalsContact OD2-CA 3.25Å; D38-F193 WeakPolarHBondContact OD2-CA 3.39Å; I56-F193 HydrophobicContact CD1-CB 3.79Å; I56-F193 HydrophobicContact CD1-CD2 3.85Å; I56-F193 HydrophobicContact CD1-CG 3.96Å; L60-F193 HydrophobicContact CD1-CD1 4.34Å; L60-F193 HydrophobicContact CD1-CD2 4.09Å; L60-F193 HydrophobicContact CD1-CE1 3.89Å; L60-F193 HydrophobicContact CD1-CE2 3.59Å; L60-F193 HydrophobicContact CD1-CG 4.43Å; L60-F193 HydrophobicContact CD1-CZ 3.48Å; L60-F193 VanDerWaalsContact CD1-CZ 3.48Å; L60-F193 HydrophobicContact CD2-CD1 3.94Å; L60-F193 HydrophobicContact CD2-CE1 3.48Å; L60-F193 VanDerWaalsContact CD2-CE1 3.48Å; L60-F193 HydrophobicContact CD2-CZ 3.9Å; L60-F193 HydrophobicContact CG-CE1 4.36Å; L60-F193 HydrophobicContact CG-CZ 4.37Å; Q165-F193 CarbonylContact C-O 3.57Å; Q165-F193 WeakPolarHBondContact CA-O 3.43Å; I166-F193 PolarHBondContact N-O 2.8Å; I166-F193 PolarHBondContact O-N 3.39Å; L168-F193 HydrophobicContact CB-CE2 3.84Å; L168-F193 HydrophobicContact CD2-CE2 4.05Å; L168-F193 HydrophobicContact CD2-CZ 4.41Å; R191-F193 HydrophobicContact CB-CE2 4.18Å; R191-F193 HydrophobicContact CB-CZ 4.01Å |
| 194 | H | 83.3 | Confident | 68.5 | Low | 46 Ų | 46 | 72 Ų | 72 | 21% | 0.213 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.7 | 172.2 | -61.1 | 79.3 | 0 | 0 | 0 | 110.1 | P36 D38 H39 I163 L164 Q165 | P36-H194 WeakPolarHBondContact O-CB 3.46Å; P36-H194 PolarHBondContact O-ND1 2.81Å; D38-H194 WeakPolarHBondContact CA-O 3.48Å; D38-H194 WeakPolarHBondContact CB-O 3.3Å; D38-H194 PolarHBondContact N-O 2.87Å; D38-H194 PolarHBondContact OD2-N 3.15Å; H39-H194 PolarHBondContact N-O 2.95Å; I163-H194 HydrophobicContact CG2-CB 4.47Å; L164-H194 CarbonylContact O-C 3.56Å; L164-H194 WeakPolarHBondContact O-CA 3.45Å; Q165-H194 PolarHBondContact NE2-NE2 2.66Å |
| 195 | I | 85.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.8 | 178 | -61.7 | -175.2 | 0 | 0 | 0 | 109.3 | H39 Y41 I56 I110 I163 L164 I166 I197 | H39-I195 HydrophobicContact CB-CD1 4.48Å; H39-I195 HydrophobicContact CB-CG1 4.14Å; H39-I195 VanDerWaalsContact O-CA 3.28Å; H39-I195 WeakPolarHBondContact O-CA 3.34Å; Y41-I195 HydrophobicContact CD2-CG2 3.6Å; Y41-I195 HydrophobicContact CE2-CD1 4.05Å; Y41-I195 HydrophobicContact CE2-CG2 3.74Å; I56-I195 HydrophobicContact CB-CD1 4.16Å; I56-I195 HydrophobicContact CD1-CD1 3.79Å; I56-I195 HydrophobicContact CG1-CD1 3.85Å; I110-I195 HydrophobicContact CD1-CD1 3.71Å; I163-I195 CarbonylContact C-O 3.54Å; I163-I195 VanDerWaalsContact CA-O 3.32Å; I163-I195 WeakPolarHBondContact CA-O 3.22Å; L164-I195 HydrophobicContact CB-CB 4.42Å; L164-I195 PolarHBondContact N-O 2.76Å; L164-I195 PolarHBondContact O-N 2.87Å; I166-I195 HydrophobicContact CD1-CD1 3.77Å; I166-I195 HydrophobicContact CD1-CG1 4.32Å; I195-I197 HydrophobicContact CG2-CG1 4.46Å |
| 196 | R | 87.6 | Confident | 73.7 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.8 | 168.7 | -168.8 | -163.5 | -63.4 | -101.5 | 6.2 | 109.6 | I37 H39 E40 Y41 S161 N198 | I37-R196 HydrophobicContact CD1-CB 4.2Å; I37-R196 HydrophobicContact CG2-CB 4.24Å; H39-R196 PolarHBondContact O-N 3.28Å; E40-R196 CarbonylContact C-O 3.57Å; E40-R196 VanDerWaalsContact CA-O 3.31Å; E40-R196 WeakPolarHBondContact CA-O 3.33Å; E40-R196 HydrophobicContact CB-CB 4.44Å; E40-R196 HydrophobicContact CG-CB 3.97Å; E40-R196 WeakPolarHBondContact OE1-CD 3.16Å; E40-R196 IonicContact OE1-CZ 3.13Å; E40-R196 IonicContact OE1-NE 3.23Å; E40-R196 PolarHBondContact OE1-NE 2.82Å; E40-R196 IonicContact OE1-NH2 2.7Å; Y41-R196 PolarHBondContact N-O 2.98Å; S161-R196 PolarHBondContact OG-NH1 2.91Å; S161-R196 VanDerWaalsContact OG-NH1 3.12Å; R196-N198 WeakPolarHBondContact CD-OD1 3.46Å |
| 197 | I | 88.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.3 | 167 | -62.2 | 177 | 0 | 0 | 0 | 106.7 | I43 I53 F102 S161 I162 L164 I195 | I43-I197 HydrophobicContact CB-CG2 4.4Å; I43-I197 HydrophobicContact CG2-CG2 3.47Å; I43-I197 VanDerWaalsContact CG2-CG2 3.47Å; I53-I197 HydrophobicContact CD1-CD1 4.06Å; I53-I197 HydrophobicContact CG2-CD1 4.41Å; F102-I197 HydrophobicContact CD1-CD1 3.81Å; F102-I197 HydrophobicContact CD2-CD1 4.07Å; F102-I197 HydrophobicContact CE1-CD1 3.71Å; F102-I197 HydrophobicContact CE1-CG2 4.31Å; F102-I197 HydrophobicContact CE2-CD1 3.97Å; F102-I197 HydrophobicContact CG-CD1 3.97Å; F102-I197 HydrophobicContact CZ-CB 4.45Å; F102-I197 HydrophobicContact CZ-CD1 3.79Å; F102-I197 HydrophobicContact CZ-CG2 4.02Å; S161-I197 CarbonylContact C-O 3.53Å; S161-I197 WeakPolarHBondContact CA-O 3.35Å; S161-I197 WeakPolarHBondContact CB-O 3.39Å; I162-I197 PolarHBondContact N-O 2.97Å; I162-I197 PolarHBondContact O-N 3.07Å; L164-I197 HydrophobicContact CD1-CD1 3.63Å; L164-I197 HydrophobicContact CG-CD1 4.11Å; I195-I197 HydrophobicContact CG2-CG1 4.46Å |
| 198 | N | 86.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.4 | 176.7 | -63.2 | -74 | 0 | 0 | 0 | 109.8 | Y41 Y42 I43 R196 | Y41-N198 PolarHBondContact O-N 3.3Å; Y41-N198 PolarHBondContact O-ND2 2.81Å; Y42-N198 WeakPolarHBondContact CA-O 3.33Å; Y42-N198 HydrophobicContact CD1-CB 3.6Å; Y42-N198 HydrophobicContact CE1-CB 3.69Å; Y42-N198 WeakPolarHBondContact CE1-ND2 3.42Å; Y42-N198 HydrophobicContact CG-CB 4.2Å; Y42-N198 VanDerWaalsContact CZ-ND2 3.26Å; Y42-N198 PolarHBondContact OH-ND2 3.13Å; I43-N198 PolarHBondContact N-O 2.65Å; R196-N198 WeakPolarHBondContact CD-OD1 3.46Å |
| 199 | I | 87.7 | Confident | 81.6 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.8 | 177.5 | -47.2 | 179.7 | 0 | 0 | 0 | 109 | I43 E45 L116 R118 I121 C160 I162 | I43-I199 HydrophobicContact CG2-CG1 4.46Å; I43-I199 CarbonylContact O-C 3.6Å; I43-I199 WeakPolarHBondContact O-CA 3.5Å; E45-I199 HydrophobicContact CB-CG2 4.21Å; L116-I199 HydrophobicContact CD1-CD1 3.76Å; L116-I199 HydrophobicContact CD1-CG1 4.45Å; L116-I199 HydrophobicContact CD2-CD1 4.32Å; L116-I199 HydrophobicContact CD2-CG1 4.22Å; L116-I199 HydrophobicContact CD2-CG2 3.99Å; L116-I199 HydrophobicContact CG-CD1 4.16Å; L116-I199 HydrophobicContact CG-CG2 4.3Å; R118-I199 HydrophobicContact CB-CG2 3.91Å; R118-I199 HydrophobicContact CG-CB 4.34Å; R118-I199 HydrophobicContact CG-CG2 3.87Å; I121-I199 HydrophobicContact CD1-CD1 3.62Å; I121-I199 HydrophobicContact CG2-CD1 4.21Å; C160-I199 HydrophobicContact CB-CB 4.33Å; C160-I199 PolarHBondContact O-N 3.01Å; I162-I199 HydrophobicContact CD1-CD1 3.92Å; I162-I199 HydrophobicContact CG1-CD1 4.42Å |
| 200 | Q | 83.9 | Confident | 83.3 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137 | 176.1 | -64.7 | -178.3 | -125.7 | 0 | 0 | 110.9 | I43 E44 E45 | I43-Q200 PolarHBondContact O-N 2.68Å; E44-Q200 HydrophobicContact CG-CB 4.26Å; E45-Q200 PolarHBondContact N-O 3.1Å; E45-Q200 VanDerWaalsContact N-O 3.09Å |
| 201 | D | 83.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 134.1 | 179.6 | 178.9 | 84.8 | 0 | 0 | 0 | 112.7 | E45 R118 E240 N243 | E45-D201 VanDerWaalsContact OE1-CA 3.31Å; E45-D201 WeakPolarHBondContact OE1-CA 3.35Å; R118-D201 IonicContact CZ-OD1 2.8Å; R118-D201 IonicContact NE-OD1 3.68Å; R118-D201 IonicContact NH1-OD1 2.73Å; R118-D201 PolarHBondContact NH1-OD1 2.83Å; R118-D201 IonicContact NH2-OD1 3.62Å; R118-D201 PolarHBondContact NH2-OD1 2.71Å; D201-E240 PolarHBondContact OD1-N 3.19Å; D201-N243 WeakPolarHBondContact OD2-CB 3.31Å; D201-N243 PolarHBondContact OD2-ND2 3.38Å |
| 202 | I | 83.1 | Confident | 85.2 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | trans | -111.9 | 151.5 | 170.1 | -66.7 | 178.9 | 0 | 0 | 0 | 109.6 | E44 E45 E46 D204 | E44-I202 HydrophobicContact CB-CD1 4.12Å; E44-I202 HydrophobicContact CB-CG1 4.43Å; E45-I202 HydrophobicContact CG-CB 3.94Å; E45-I202 HydrophobicContact CG-CD1 3.97Å; E45-I202 HydrophobicContact CG-CG1 3.89Å; E45-I202 WeakPolarHBondContact O-CD1 3.1Å; E45-I202 PolarHBondContact OE1-N 2.98Å; E46-I202 HydrophobicContact CB-CD1 4.46Å; I202-D204 HydrophobicContact CG2-CB 4.25Å; I202-D204 PolarHBondContact O-N 2.91Å | ||
| 203 | N | 86.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -78.6 | 91.3 | 168 | -173.8 | -73.4 | 0 | 0 | 0 | 109.6 | D239 N243 D297 K317 F319 | N203-D239 VanDerWaalsContact CA-OD2 3.27Å; N203-D239 WeakPolarHBondContact CA-OD2 3.45Å; N203-N243 HydrophobicContact CB-CB 4.11Å; N203-N243 PolarHBondContact N-ND2 2.92Å; N203-D297 PolarHBondContact ND2-OD1 3.08Å; N203-K317 VanDerWaalsContact CG-O 3.29Å; N203-K317 PolarHBondContact OD1-O 3.01Å; N203-K317 VanDerWaalsContact OD1-O 3.04Å; N203-F319 WeakPolarHBondContact OD1-CD2 3.26Å; N203-F319 WeakPolarHBondContact OD1-CE2 3.25Å |
| 204 | D | 86.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -132.2 | -17.5 | 179.8 | 104.2 | -51.5 | 0 | 0 | 0 | 115.8 | I202 D239 F319 | I202-D204 HydrophobicContact CG2-CB 4.25Å; I202-D204 PolarHBondContact O-N 2.91Å; D204-D239 PolarHBondContact N-OD2 3.18Å; D204-F319 VanDerWaalsContact O-CZ 3.26Å; D204-F319 WeakPolarHBondContact O-CZ 3.35Å | ||
| 205 | N | 86.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -82 | 172.7 | 162.1 | -63.1 | -98.7 | 0 | 0 | 0 | 111.6 | D119 N238 D239 F319 | D119-N205 PolarHBondContact OD2-ND2 3.36Å; N205-N238 HydrophobicContact CB-CB 4.18Å; N205-N238 PolarHBondContact OD1-ND2 2.81Å; N205-D239 WeakPolarHBondContact CB-OD1 3.46Å; N205-D239 PolarHBondContact N-OD1 3.48Å; N205-D239 VanDerWaalsContact N-OD1 3.12Å; N205-D239 PolarHBondContact ND2-OD1 2.77Å; N205-F319 WeakPolarHBondContact O-CD2 3.47Å; N205-F319 WeakPolarHBondContact O-CE2 3.41Å |
| 206 | A | 87.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | trans | -130.7 | 141.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y208 F319 | A206-Y208 PolarHBondContact O-N 2.78Å; A206-F319 HydrophobicContact CB-CB 3.44Å; A206-F319 VanDerWaalsContact CB-CB 3.44Å; A206-F319 HydrophobicContact CB-CD1 3.82Å; A206-F319 HydrophobicContact CB-CD2 4.34Å; A206-F319 HydrophobicContact CB-CE1 4.49Å; A206-F319 HydrophobicContact CB-CG 3.67Å | ||
| 207 | P | 90.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | trans | -51.8 | 129.2 | 175.1 | -27.8 | 32.3 | 0 | 0 | 0 | 112.1 | A235 M236 D237 I246 A295 D297 S321 | P207-A235 HydrophobicContact CB-CB 4.39Å; P207-M236 CarbonylContact C-O 3.57Å; P207-M236 VanDerWaalsContact CA-O 3.32Å; P207-M236 WeakPolarHBondContact CA-O 3.4Å; P207-D237 WeakPolarHBondContact CD-OD2 3.49Å; P207-D237 WeakPolarHBondContact CG-OD2 3.46Å; P207-I246 HydrophobicContact CB-CD1 4.2Å; P207-I246 HydrophobicContact CB-CG1 4.29Å; P207-I246 HydrophobicContact CG-CG1 4.24Å; P207-A295 HydrophobicContact CB-CB 4.03Å; P207-D297 WeakPolarHBondContact CD-OD2 3.29Å; P207-D297 HydrophobicContact CG-CB 3.8Å; P207-S321 WeakPolarHBondContact O-CB 3.21Å; P207-S321 PolarHBondContact O-OG 3.06Å | ||
| 208 | Y | 90.7 | Very high | 87.5 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.6 | 179.6 | 62.8 | -86.4 | 0 | 0 | 0 | 112.2 | A206 A235 M236 N238 | A206-Y208 PolarHBondContact O-N 2.78Å; Y208-A235 CarbonylContact O-C 3.4Å; Y208-A235 WeakPolarHBondContact O-CA 3.49Å; Y208-M236 WeakPolarHBondContact CD1-O 3.46Å; Y208-M236 HydrophobicContact CD2-CB 4.33Å; Y208-M236 HydrophobicContact CE1-CB 4.06Å; Y208-M236 WeakPolarHBondContact CE1-O 3.36Å; Y208-M236 HydrophobicContact CE2-CB 3.81Å; Y208-M236 HydrophobicContact CE2-SD 4.32Å; Y208-M236 PolarHBondContact N-O 3.04Å; Y208-M236 PolarHBondContact O-N 3.26Å; Y208-N238 WeakPolarHBondContact CE1-OD1 3.02Å; Y208-N238 PolarHBondContact OH-OD1 3.41Å |
| 209 | W | 90.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.4 | 171 | -53.1 | 100.7 | 0 | 0 | 0 | 109.8 | G211 H212 L213 P233 A235 Y248 L293 A295 S321 T322 L323 | W209-G211 PolarHBondContact O-N 3.02Å; W209-H212 WeakPolarHBondContact O-CA 3.45Å; W209-H212 PolarHBondContact O-N 2.78Å; W209-L213 HydrophobicContact CB-CB 4.05Å; W209-P233 WeakPolarHBondContact CZ3-O 3.31Å; W209-A235 HydrophobicContact CD2-CB 4.15Å; W209-A235 HydrophobicContact CE3-CB 3.87Å; W209-A235 HydrophobicContact CH2-CB 4.05Å; W209-A235 HydrophobicContact CZ2-CB 4.33Å; W209-A235 HydrophobicContact CZ3-CB 3.82Å; W209-Y248 AromaticContact CH2-CD1 3.91Å; W209-Y248 HydrophobicContact CH2-CD1 3.91Å; W209-Y248 AromaticContact CH2-CE1 3.66Å; W209-Y248 HydrophobicContact CH2-CE1 3.66Å; W209-Y248 AromaticContact CZ3-CE1 3.93Å; W209-Y248 HydrophobicContact CZ3-CE1 3.93Å; W209-L293 HydrophobicContact CH2-CD2 3.39Å; W209-L293 HydrophobicContact CH2-CG 3.6Å; W209-L293 HydrophobicContact CZ2-CD2 4.21Å; W209-L293 HydrophobicContact CZ2-CG 4.06Å; W209-L293 HydrophobicContact CZ3-CD2 3.78Å; W209-L293 HydrophobicContact CZ3-CG 4.47Å; W209-A295 HydrophobicContact CH2-CB 3.84Å; W209-A295 HydrophobicContact CZ2-CB 3.57Å; W209-S321 PolarHBondContact NE1-OG 3.16Å; W209-T322 PolarHBondContact NE1-O 2.87Å; W209-L323 HydrophobicContact CD2-CB 3.98Å; W209-L323 HydrophobicContact CD2-CD2 4.2Å; W209-L323 HydrophobicContact CE3-CD2 4.07Å; W209-L323 HydrophobicContact CG-CB 4.33Å; W209-L323 HydrophobicContact CG-CD1 4.48Å; W209-L323 HydrophobicContact CZ2-CB 3.92Å; W209-L323 HydrophobicContact CZ3-CD2 4.31Å |
| 210 | Q | 80.8 | Confident | 88.1 | Confident | 126 Ų | 126 | 68.1 Ų | 68.1 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -55.5 | 127.2 | -178.6 | -166.2 | -177 | 20.9 | 0 | 0 | 110.9 | H212 L213 M236 | Q210-H212 VanDerWaalsContact C-N 3.29Å; Q210-H212 PolarHBondContact O-N 2.7Å; Q210-L213 WeakPolarHBondContact O-CG 3.49Å; Q210-M236 HydrophobicContact CB-SD 4.35Å; Q210-M236 HydrophobicContact CG-SD 4.27Å |
| 211 | G | 82.9 | Confident | 88.5 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | 74.2 | 13.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W209 L213 | W209-G211 PolarHBondContact O-N 3.02Å; G211-L213 VanDerWaalsContact C-N 3.33Å; G211-L213 PolarHBondContact O-N 3.01Å |
| 212 | H | 83.5 | Confident | 88.9 | Confident | 153 Ų | 153 | 66.4 Ų | 66.4 | 71% | 0.708 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | 57.5 | 39.6 | -178.3 | -49.8 | -68.3 | 0 | 0 | 0 | 113.9 | W209 Q210 Q214 | W209-H212 WeakPolarHBondContact O-CA 3.45Å; W209-H212 PolarHBondContact O-N 2.78Å; Q210-H212 VanDerWaalsContact C-N 3.29Å; Q210-H212 PolarHBondContact O-N 2.7Å; H212-Q214 PolarHBondContact O-N 3.02Å |
| 213 | L | 87.1 | Confident | 89.3 | Confident | 63 Ų | 63 | 65 Ų | 65 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | trans | -56.7 | 120.2 | 175.5 | -69.8 | 169.1 | 0 | 0 | 0 | 111.2 | W209 Q210 G211 F216 P233 L323 | W209-L213 HydrophobicContact CB-CB 4.05Å; Q210-L213 WeakPolarHBondContact O-CG 3.49Å; G211-L213 VanDerWaalsContact C-N 3.33Å; G211-L213 PolarHBondContact O-N 3.01Å; L213-F216 HydrophobicContact CD1-CD2 4.42Å; L213-P233 HydrophobicContact CD1-CB 4.37Å; L213-P233 HydrophobicContact CD1-CG 3.73Å; L213-L323 HydrophobicContact CB-CD1 3.79Å; L213-L323 VanDerWaalsContact O-CD1 3.31Å; L213-L323 WeakPolarHBondContact O-CD1 3.26Å | ||
| 214 | Q | 90.4 | Very high | 89.5 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -92.6 | -22.5 | 171.3 | -64.5 | -178.8 | -9.4 | 0 | 0 | 112.3 | H212 Y324 | H212-Q214 PolarHBondContact O-N 3.02Å; Q214-Y324 PolarHBondContact O-N 2.86Å |
| 215 | R | 92.4 | Very high | 89.8 | Confident | 144 Ų | 144 | 65.7 Ų | 65.7 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.6 | -173.9 | -163.9 | 167.1 | -171.6 | 156.6 | 5.5 | 110.9 | Y324 D326 | R215-Y324 CarbonylContact C-O 3.52Å; R215-Y324 VanDerWaalsContact CA-O 3.23Å; R215-Y324 WeakPolarHBondContact CA-O 3.46Å; R215-Y324 WeakPolarHBondContact CG-O 3.4Å; R215-D326 IonicContact CZ-OD1 2.73Å; R215-D326 IonicContact CZ-OD2 2.63Å; R215-D326 IonicContact NE-OD1 3.77Å; R215-D326 IonicContact NE-OD2 2.66Å; R215-D326 PolarHBondContact NE-OD2 3.15Å; R215-D326 VanDerWaalsContact NH2-CG 3.26Å; R215-D326 IonicContact NH2-OD1 2.63Å; R215-D326 PolarHBondContact NH2-OD1 2.87Å; R215-D326 IonicContact NH2-OD2 3.77Å; R215-D326 PolarHBondContact NH2-OD2 3.24Å |
| 216 | F | 92.3 | Very high | 90 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.2 | 179.3 | -164.5 | -107.3 | 0 | 0 | 0 | 110 | L213 I218 N231 P233 L323 Y324 V325 D326 | L213-F216 HydrophobicContact CD1-CD2 4.42Å; F216-I218 HydrophobicContact CD1-CD1 4.25Å; F216-I218 HydrophobicContact CD1-CG1 3.83Å; F216-I218 HydrophobicContact CE1-CD1 4.4Å; F216-I218 HydrophobicContact CE1-CG1 3.9Å; F216-N231 WeakPolarHBondContact CE1-O 3.46Å; F216-P233 HydrophobicContact CD2-CG 4.05Å; F216-P233 HydrophobicContact CE2-CG 3.99Å; F216-P233 HydrophobicContact CZ-CG 4.41Å; F216-L323 HydrophobicContact CB-CD1 4.19Å; F216-L323 HydrophobicContact CB-CD2 3.99Å; F216-L323 HydrophobicContact CB-CG 4.24Å; F216-Y324 PolarHBondContact N-O 3.08Å; F216-V325 WeakPolarHBondContact O-CA 3.26Å; F216-D326 PolarHBondContact O-N 2.91Å |
| 217 | R | 92.5 | Very high | 90 | Very high | 163 Ų | 163 | 68.7 Ų | 68.7 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.2 | -175.3 | -167.8 | -179 | -155.1 | 168 | 7.5 | 110.4 | D326 F328 | R217-D326 WeakPolarHBondContact CA-O 3.32Å; R217-F328 HydrophobicContact CG-CD2 3.88Å; R217-F328 HydrophobicContact CG-CE2 3.95Å; R217-F328 VanDerWaalsContact NE-CD2 3.26Å; R217-F328 VanDerWaalsContact NH2-CE2 3.3Å |
| 218 | I | 91.5 | Very high | 90 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.9 | 179.7 | -55.5 | 178.2 | 0 | 0 | 0 | 108.6 | F216 F220 R230 I232 L275 V325 D326 I327 F328 | F216-I218 HydrophobicContact CD1-CD1 4.25Å; F216-I218 HydrophobicContact CD1-CG1 3.83Å; F216-I218 HydrophobicContact CE1-CD1 4.4Å; F216-I218 HydrophobicContact CE1-CG1 3.9Å; I218-F220 HydrophobicContact CG2-CD2 3.98Å; I218-F220 HydrophobicContact CG2-CE2 3.73Å; I218-R230 HydrophobicContact CG2-CB 3.53Å; I218-R230 HydrophobicContact CG2-CG 3.65Å; I218-I232 HydrophobicContact CD1-CD1 3.86Å; I218-I232 HydrophobicContact CD1-CG1 3.71Å; I218-L275 HydrophobicContact CD1-CB 4.31Å; I218-L275 HydrophobicContact CD1-CD2 3.98Å; I218-V325 HydrophobicContact CD1-CG1 3.57Å; I218-V325 HydrophobicContact CG1-CG1 4.09Å; I218-D326 PolarHBondContact N-O 2.81Å; I218-I327 WeakPolarHBondContact O-CA 3.27Å; I218-F328 PolarHBondContact O-N 3.34Å |
| 219 | T | 93.2 | Very high | 90 | Very high | 58 Ų | 58 | 71.5 Ų | 71.5 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.1 | 169.5 | 57 | 0 | 0 | 0 | 0 | 111 | R230 F328 E330 | T219-R230 PolarHBondContact O-NE 2.87Å; T219-F328 VanDerWaalsContact CA-O 3.3Å; T219-F328 WeakPolarHBondContact CA-O 3.26Å; T219-F328 HydrophobicContact CG2-CB 4.29Å; T219-E330 WeakPolarHBondContact CB-OE1 3.47Å; T219-E330 HydrophobicContact CG2-CG 4.44Å; T219-E330 WeakPolarHBondContact CG2-OE1 3.41Å; T219-E330 PolarHBondContact OG1-OE1 3.5Å |
| 220 | F | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 155.4 | 164.9 | -81 | -103.3 | 0 | 0 | 0 | 108.7 | I218 D224 S228 R230 F263 L275 A277 I281 I327 F328 I329 E330 | I218-F220 HydrophobicContact CG2-CD2 3.98Å; I218-F220 HydrophobicContact CG2-CE2 3.73Å; F220-D224 HydrophobicContact CD1-CB 4.17Å; F220-D224 WeakPolarHBondContact CD1-OD2 3.4Å; F220-S228 WeakPolarHBondContact CE1-O 3.28Å; F220-R230 HydrophobicContact CD1-CG 4.5Å; F220-R230 HydrophobicContact CD2-CG 4.04Å; F220-R230 HydrophobicContact CE1-CG 4.05Å; F220-R230 HydrophobicContact CE2-CB 4.15Å; F220-R230 HydrophobicContact CE2-CG 3.54Å; F220-R230 HydrophobicContact CZ-CB 4.17Å; F220-R230 HydrophobicContact CZ-CG 3.55Å; F220-F263 HydrophobicContact CD1-CE1 4.04Å; F220-F263 AromaticContact CD2-CE1 3.69Å; F220-F263 HydrophobicContact CD2-CE1 3.69Å; F220-F263 HydrophobicContact CD2-CZ 4.1Å; F220-F263 HydrophobicContact CE1-CD1 4.39Å; F220-F263 AromaticContact CE1-CE1 3.87Å; F220-F263 HydrophobicContact CE1-CE1 3.87Å; F220-F263 HydrophobicContact CE2-CD1 4.01Å; F220-F263 AromaticContact CE2-CE1 3.5Å; F220-F263 HydrophobicContact CE2-CE1 3.5Å; F220-F263 HydrophobicContact CE2-CZ 4.26Å; F220-F263 AromaticContact CG-CE1 3.96Å; F220-F263 HydrophobicContact CG-CE1 3.96Å; F220-F263 HydrophobicContact CG-CZ 4.39Å; F220-F263 AromaticContact CZ-CD1 3.89Å; F220-F263 HydrophobicContact CZ-CD1 3.89Å; F220-F263 AromaticContact CZ-CE1 3.6Å; F220-F263 HydrophobicContact CZ-CE1 3.6Å; F220-L275 HydrophobicContact CE2-CD2 4.18Å; F220-A277 HydrophobicContact CE1-CB 4.14Å; F220-I281 HydrophobicContact CB-CG2 4.41Å; F220-I281 HydrophobicContact CD1-CG1 4.06Å; F220-I327 HydrophobicContact CD2-CG2 3.65Å; F220-I327 HydrophobicContact CE2-CG2 4.19Å; F220-F328 PolarHBondContact N-O 2.87Å; F220-I329 HydrophobicContact CB-CG1 4.26Å; F220-I329 WeakPolarHBondContact O-CA 3.49Å; F220-E330 PolarHBondContact O-N 3.27Å |
| 221 | L | 92.8 | Very high | 90.4 | Very high | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.3 | 168.6 | -63.5 | -178.8 | 0 | 0 | 0 | 108.9 | D224 E330 | L221-D224 PolarHBondContact N-OD2 3.16Å; L221-D224 VanDerWaalsContact O-CB 3.3Å; L221-D224 WeakPolarHBondContact O-CB 3.13Å; L221-D224 PolarHBondContact O-N 2.86Å; L221-E330 HydrophobicContact CD2-CB 4.03Å |
| 222 | D | 92.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 70 Ų | 70 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 148.1 | 166.7 | -146.3 | -12.8 | 0 | 0 | 0 | 111.6 | D224 D282 R283 I329 E330 V332 | D222-D224 PolarHBondContact O-N 2.99Å; D222-D224 VanDerWaalsContact O-N 3.16Å; D222-D282 VanDerWaalsContact OD1-CA 3.24Å; D222-D282 WeakPolarHBondContact OD1-CA 3.35Å; D222-R283 HydrophobicContact CB-CB 4.44Å; D222-R283 PolarHBondContact OD1-N 2.84Å; D222-R283 WeakPolarHBondContact OD2-CB 3.24Å; D222-R283 PolarHBondContact OD2-N 3.48Å; D222-I329 HydrophobicContact CB-CG2 4.27Å; D222-E330 PolarHBondContact N-O 3.45Å; D222-V332 HydrophobicContact CB-CB 3.95Å; D222-V332 HydrophobicContact CB-CG2 3.74Å |
| 223 | G | 90.5 | Very high | 90.9 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 7.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P225 I281 | G223-P225 WeakPolarHBondContact O-CD 3.18Å; G223-P225 VanDerWaalsContact O-N 3.17Å; G223-I281 VanDerWaalsContact CA-O 3.24Å; G223-I281 WeakPolarHBondContact CA-O 3.3Å; G223-I281 PolarHBondContact N-O 3.3Å |
| 224 | D | 92.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 121.5 | 177.7 | -116 | -40.2 | 0 | 0 | 0 | 109.9 | F220 L221 D222 S228 R230 Q280 I281 | F220-D224 HydrophobicContact CD1-CB 4.17Å; F220-D224 WeakPolarHBondContact CD1-OD2 3.4Å; L221-D224 PolarHBondContact N-OD2 3.16Å; L221-D224 VanDerWaalsContact O-CB 3.3Å; L221-D224 WeakPolarHBondContact O-CB 3.13Å; L221-D224 PolarHBondContact O-N 2.86Å; D222-D224 PolarHBondContact O-N 2.99Å; D222-D224 VanDerWaalsContact O-N 3.16Å; D224-S228 WeakPolarHBondContact OD1-CB 3.32Å; D224-S228 PolarHBondContact OD1-OG 3.08Å; D224-R230 IonicContact OD2-CZ 3.89Å; D224-R230 IonicContact OD2-NH1 2.98Å; D224-R230 PolarHBondContact OD2-NH1 2.91Å; D224-R230 IonicContact OD2-NH2 2.65Å; D224-R230 PolarHBondContact OD2-NH2 2.9Å; D224-Q280 WeakPolarHBondContact O-CA 3.32Å; D224-I281 HydrophobicContact CB-CB 3.92Å; D224-I281 HydrophobicContact CB-CG1 3.74Å; D224-I281 PolarHBondContact O-N 3.42Å |
| 225 | P | 92 | Very high | 90.8 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 161.5 | -172.9 | 27.7 | -36.2 | 0 | 0 | 0 | 113.2 | G223 G227 S228 | G223-P225 WeakPolarHBondContact O-CD 3.18Å; G223-P225 VanDerWaalsContact O-N 3.17Å; P225-G227 PolarHBondContact O-N 2.65Å; P225-S228 WeakPolarHBondContact CD-OG 3.46Å; P225-S228 VanDerWaalsContact O-CB 3.24Å; P225-S228 WeakPolarHBondContact O-CB 3.47Å; P225-S228 PolarHBondContact O-N 3.5Å; P225-S228 PolarHBondContact O-OG 2.76Å |
| 226 | V | 89.8 | Confident | 90.6 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 128.3 | 172.7 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||
| 227 | G | 89.3 | Confident | 90.4 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P225 R229 A277 | P225-G227 PolarHBondContact O-N 2.65Å; G227-R229 PolarHBondContact O-N 2.92Å; G227-A277 PolarHBondContact N-O 2.77Å |
| 228 | S | 89.8 | Confident | 90.2 | Very high | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | trans | -55.4 | 123.1 | 169 | -86 | 0 | 0 | 0 | 0 | 110.2 | F220 D224 P225 Y276 A277 | F220-S228 WeakPolarHBondContact CE1-O 3.28Å; D224-S228 WeakPolarHBondContact OD1-CB 3.32Å; D224-S228 PolarHBondContact OD1-OG 3.08Å; P225-S228 WeakPolarHBondContact CD-OG 3.46Å; P225-S228 VanDerWaalsContact O-CB 3.24Å; P225-S228 WeakPolarHBondContact O-CB 3.47Å; P225-S228 PolarHBondContact O-N 3.5Å; P225-S228 PolarHBondContact O-OG 2.76Å; S228-Y276 CarbonylContact O-C 3.54Å; S228-Y276 VanDerWaalsContact O-CA 3.24Å; S228-Y276 WeakPolarHBondContact O-CA 3.27Å; S228-A277 PolarHBondContact O-N 2.76Å | ||
| 229 | R | 90.6 | Very high | 89.9 | Confident | 111 Ų | 111 | 44.6 Ų | 44.6 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.9 | -174.3 | 68.4 | 178.9 | -177.3 | 165.6 | 2.1 | 113.2 | G227 D271 H274 L275 | G227-R229 PolarHBondContact O-N 2.92Å; R229-D271 IonicContact CZ-OD2 2.78Å; R229-D271 IonicContact NH1-OD2 3.37Å; R229-D271 PolarHBondContact NH1-OD2 2.86Å; R229-D271 IonicContact NH2-OD2 2.84Å; R229-D271 PolarHBondContact NH2-OD2 3.44Å; R229-H274 HydrophobicContact CB-CB 4.34Å; R229-L275 CarbonylContact C-O 3.52Å; R229-L275 WeakPolarHBondContact CA-O 3.41Å |
| 230 | R | 91.4 | Very high | 89.3 | Confident | 62 Ų | 62 | 44.1 Ų | 44.1 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143 | 173.2 | -61.5 | -63.4 | -170.9 | -78.1 | -2.3 | 109.4 | I218 T219 F220 D224 H274 L275 | I218-R230 HydrophobicContact CG2-CB 3.53Å; I218-R230 HydrophobicContact CG2-CG 3.65Å; T219-R230 PolarHBondContact O-NE 2.87Å; F220-R230 HydrophobicContact CD1-CG 4.5Å; F220-R230 HydrophobicContact CD2-CG 4.04Å; F220-R230 HydrophobicContact CE1-CG 4.05Å; F220-R230 HydrophobicContact CE2-CB 4.15Å; F220-R230 HydrophobicContact CE2-CG 3.54Å; F220-R230 HydrophobicContact CZ-CB 4.17Å; F220-R230 HydrophobicContact CZ-CG 3.55Å; D224-R230 IonicContact OD2-CZ 3.89Å; D224-R230 IonicContact OD2-NH1 2.98Å; D224-R230 PolarHBondContact OD2-NH1 2.91Å; D224-R230 IonicContact OD2-NH2 2.65Å; D224-R230 PolarHBondContact OD2-NH2 2.9Å; R230-H274 CarbonylContact O-C 3.53Å; R230-H274 VanDerWaalsContact O-CA 3.29Å; R230-H274 WeakPolarHBondContact O-CA 3.23Å; R230-L275 PolarHBondContact N-O 2.96Å; R230-L275 PolarHBondContact O-N 2.84Å |
| 231 | N | 89.1 | Confident | 88.4 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 144.6 | -172.5 | -61.3 | 19.1 | 0 | 0 | 0 | 111.8 | F216 H274 | F216-N231 WeakPolarHBondContact CE1-O 3.46Å; N231-H274 PolarHBondContact OD1-CE1 2.94Å; N231-H274 VanDerWaalsContact OD1-CE1 3.28Å; N231-H274 PolarHBondContact OD1-ND1 3.16Å |
| 232 | I | 88.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | trans | -123.1 | 137.2 | 171.6 | -68.9 | -174 | 0 | 0 | 0 | 108.2 | I218 L265 L273 L275 L293 L323 V325 | I218-I232 HydrophobicContact CD1-CD1 3.86Å; I218-I232 HydrophobicContact CD1-CG1 3.71Å; I232-L265 HydrophobicContact CD1-CD2 4.32Å; I232-L273 HydrophobicContact CB-CD2 4.33Å; I232-L273 HydrophobicContact CB-CG 4.33Å; I232-L273 HydrophobicContact CG2-CD2 3.94Å; I232-L273 HydrophobicContact CG2-CG 4.47Å; I232-L273 PolarHBondContact N-O 2.97Å; I232-L273 VanDerWaalsContact O-O 3.09Å; I232-L275 HydrophobicContact CD1-CB 3.87Å; I232-L275 HydrophobicContact CD1-CD1 4.38Å; I232-L275 HydrophobicContact CG1-CB 4.37Å; I232-L293 HydrophobicContact CD1-CD2 4.4Å; I232-L293 HydrophobicContact CG2-CD2 3.67Å; I232-L323 HydrophobicContact CG2-CD2 4.4Å; I232-V325 HydrophobicContact CD1-CG2 4.46Å | ||
| 233 | P | 86.9 | Confident | 87.2 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 126.6 | 172.4 | 26.6 | -33.5 | 0 | 0 | 0 | 110 | W209 L213 F216 | W209-P233 WeakPolarHBondContact CZ3-O 3.31Å; L213-P233 HydrophobicContact CD1-CB 4.37Å; L213-P233 HydrophobicContact CD1-CG 3.73Å; F216-P233 HydrophobicContact CD2-CG 4.05Å; F216-P233 HydrophobicContact CE2-CG 3.99Å; F216-P233 HydrophobicContact CZ-CG 4.41Å |
| 234 | P | 87.9 | Confident | 86.7 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 161.3 | 176.4 | 29.1 | -35.1 | 0 | 0 | 0 | 111.3 | Y248 | P234-Y248 WeakPolarHBondContact CB-OH 3.21Š|
| 235 | A | 88.5 | Confident | 86.3 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 158.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P207 Y208 W209 I246 Y248 A295 | P207-A235 HydrophobicContact CB-CB 4.39Å; Y208-A235 CarbonylContact O-C 3.4Å; Y208-A235 WeakPolarHBondContact O-CA 3.49Å; W209-A235 HydrophobicContact CD2-CB 4.15Å; W209-A235 HydrophobicContact CE3-CB 3.87Å; W209-A235 HydrophobicContact CH2-CB 4.05Å; W209-A235 HydrophobicContact CZ2-CB 4.33Å; W209-A235 HydrophobicContact CZ3-CB 3.82Å; A235-I246 VanDerWaalsContact C-CD1 3.5Å; A235-I246 HydrophobicContact CB-CD1 3.82Å; A235-I246 HydrophobicContact CB-CG2 4.42Å; A235-I246 WeakPolarHBondContact O-CD1 3.46Å; A235-Y248 HydrophobicContact CB-CE1 4.03Å; A235-Y248 PolarHBondContact N-OH 2.86Å; A235-A295 HydrophobicContact CB-CB 3.51Å |
| 236 | M | 88.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150 | 177.4 | -64.7 | -179.4 | 63.5 | 0 | 0 | 109.2 | P207 Y208 Q210 | P207-M236 CarbonylContact C-O 3.57Å; P207-M236 VanDerWaalsContact CA-O 3.32Å; P207-M236 WeakPolarHBondContact CA-O 3.4Å; Y208-M236 WeakPolarHBondContact CD1-O 3.46Å; Y208-M236 HydrophobicContact CD2-CB 4.33Å; Y208-M236 HydrophobicContact CE1-CB 4.06Å; Y208-M236 WeakPolarHBondContact CE1-O 3.36Å; Y208-M236 HydrophobicContact CE2-CB 3.81Å; Y208-M236 HydrophobicContact CE2-SD 4.32Å; Y208-M236 PolarHBondContact N-O 3.04Å; Y208-M236 PolarHBondContact O-N 3.26Å; Q210-M236 HydrophobicContact CB-SD 4.35Å; Q210-M236 HydrophobicContact CG-SD 4.27Å |
| 237 | D | 88.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | trans | -143.1 | 152.5 | 177.4 | -154.3 | -13.3 | 0 | 0 | 0 | 110.1 | K124 P207 I246 | K124-D237 PolarHBondContact NZ-O 2.75Å; P207-D237 WeakPolarHBondContact CD-OD2 3.49Å; P207-D237 WeakPolarHBondContact CG-OD2 3.46Å; D237-I246 HydrophobicContact CB-CD1 4.06Å; D237-I246 HydrophobicContact CB-CG1 4.12Å | ||
| 238 | N | 86.7 | Confident | 85.7 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -99.1 | -40.4 | -170.6 | -55.4 | -31 | 0 | 0 | 0 | 112.6 | R118 D119 K124 N205 Y208 | R118-N238 PolarHBondContact NH2-O 2.98Å; D119-N238 WeakPolarHBondContact OD2-CB 2.92Å; K124-N238 WeakPolarHBondContact CD-O 3.34Å; K124-N238 WeakPolarHBondContact CE-O 3.17Å; K124-N238 PolarHBondContact NZ-O 3.19Å; N205-N238 HydrophobicContact CB-CB 4.18Å; N205-N238 PolarHBondContact OD1-ND2 2.81Å; Y208-N238 WeakPolarHBondContact CE1-OD1 3.02Å; Y208-N238 PolarHBondContact OH-OD1 3.41Å | ||
| 239 | D | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -49.3 | 152.1 | 172 | -48.9 | -9.1 | 0 | 0 | 0 | 111.5 | K124 N203 D204 N205 N243 G244 | K124-D239 WeakPolarHBondContact CE-O 3.49Å; K124-D239 PolarHBondContact NZ-O 2.64Å; N203-D239 VanDerWaalsContact CA-OD2 3.27Å; N203-D239 WeakPolarHBondContact CA-OD2 3.45Å; D204-D239 PolarHBondContact N-OD2 3.18Å; N205-D239 WeakPolarHBondContact CB-OD1 3.46Å; N205-D239 PolarHBondContact N-OD1 3.48Å; N205-D239 VanDerWaalsContact N-OD1 3.12Å; N205-D239 PolarHBondContact ND2-OD1 2.77Å; D239-N243 HydrophobicContact CB-CB 3.54Å; D239-G244 WeakPolarHBondContact O-CA 3.46Å; D239-G244 PolarHBondContact O-N 3.39Å |
| 240 | E | 79.8 | Confident | 85.5 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | trans | -99.7 | -179.8 | 177.4 | -74.4 | -155.2 | 148.2 | 0 | 0 | 114.3 | K124 D201 I242 N243 G244 | K124-E240 HydrophobicContact CG-CG 4.12Å; D201-E240 PolarHBondContact OD1-N 3.19Å; E240-I242 PolarHBondContact O-N 3.39Å; E240-I242 VanDerWaalsContact O-N 3.16Å; E240-N243 PolarHBondContact O-N 2.93Å; E240-G244 PolarHBondContact O-N 3.48Å | ||
| 241 | G | 75.3 | Confident | 85.2 | Confident | 66 Ų | 66 | 43 Ų | 43 | 68% | 0.68 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -115 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 242 | I | 77.2 | Confident | 85 | Confident | 88 Ų | 88 | 39.5 Ų | 39.5 | 45% | 0.451 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -25.5 | -179.7 | -63.2 | 173.4 | 0 | 0 | 0 | 111.1 | E240 G298 Y300 | E240-I242 PolarHBondContact O-N 3.39Å; E240-I242 VanDerWaalsContact O-N 3.16Å; I242-G298 VanDerWaalsContact O-CA 3.26Å; I242-G298 WeakPolarHBondContact O-CA 3.38Å; I242-G298 PolarHBondContact O-N 2.88Å; I242-Y300 HydrophobicContact CD1-CD2 3.99Å; I242-Y300 HydrophobicContact CD1-CE2 4.12Å; I242-Y300 HydrophobicContact CG1-CD2 4.16Å; I242-Y300 HydrophobicContact CG1-CE2 4.35Å; I242-Y300 HydrophobicContact CG2-CD2 4.26Å |
| 243 | N | 82.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -58.8 | -179.3 | -65.4 | -24.9 | 0 | 0 | 0 | 108.5 | D201 N203 D239 E240 L245 D297 G298 | D201-N243 WeakPolarHBondContact OD2-CB 3.31Å; D201-N243 PolarHBondContact OD2-ND2 3.38Å; N203-N243 HydrophobicContact CB-CB 4.11Å; N203-N243 PolarHBondContact N-ND2 2.92Å; D239-N243 HydrophobicContact CB-CB 3.54Å; E240-N243 PolarHBondContact O-N 2.93Å; N243-L245 PolarHBondContact O-N 3.23Å; N243-D297 VanDerWaalsContact O-CB 3.3Å; N243-D297 WeakPolarHBondContact O-CB 3.4Å; N243-G298 PolarHBondContact O-N 3.45Å; N243-G298 VanDerWaalsContact O-N 3.12Å |
| 244 | G | 81.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 21 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | D239 E240 | D239-G244 WeakPolarHBondContact O-CA 3.46Å; D239-G244 PolarHBondContact O-N 3.39Å; E240-G244 PolarHBondContact O-N 3.48Å |
| 245 | L | 82.4 | Confident | 82.5 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | trans | -93.9 | 104.5 | 171.7 | -178.2 | 63.1 | 0 | 0 | 0 | 109.5 | N243 | N243-L245 PolarHBondContact O-N 3.23Š| ||
| 246 | I | 84.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | trans | -81.9 | 137.3 | -178.4 | -53.6 | 174.5 | 0 | 0 | 0 | 110.1 | P207 A235 D237 Y248 A295 T296 | P207-I246 HydrophobicContact CB-CD1 4.2Å; P207-I246 HydrophobicContact CB-CG1 4.29Å; P207-I246 HydrophobicContact CG-CG1 4.24Å; A235-I246 VanDerWaalsContact C-CD1 3.5Å; A235-I246 HydrophobicContact CB-CD1 3.82Å; A235-I246 HydrophobicContact CB-CG2 4.42Å; A235-I246 WeakPolarHBondContact O-CD1 3.46Å; D237-I246 HydrophobicContact CB-CD1 4.06Å; D237-I246 HydrophobicContact CB-CG1 4.12Å; I246-Y248 HydrophobicContact CG2-CD1 4.37Å; I246-Y248 HydrophobicContact CG2-CE1 3.92Å; I246-Y248 HydrophobicContact CG2-CE2 4.25Å; I246-A295 HydrophobicContact CG2-CB 3.67Å; I246-T296 CarbonylContact C-O 3.47Å; I246-T296 WeakPolarHBondContact CA-O 3.42Å | ||
| 247 | T | 85.6 | Confident | 79.2 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.8 | 163.8 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | A295 T296 S299 | T247-A295 WeakPolarHBondContact O-CA 3.3Å; T247-T296 PolarHBondContact N-O 2.9Å; T247-T296 PolarHBondContact O-N 2.93Å; T247-T296 PolarHBondContact OG1-O 3.42Å; T247-S299 VanDerWaalsContact CG2-OG 3.31Å; T247-S299 WeakPolarHBondContact CG2-OG 3.29Å; T247-S299 WeakPolarHBondContact OG1-CB 3.28Å; T247-S299 PolarHBondContact OG1-OG 3.49Å |
| 248 | Y | 89.6 | Confident | 77.5 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.6 | -176.3 | -62.5 | -75.4 | 0 | 0 | 0 | 112.8 | W209 P234 A235 I246 E267 L273 L293 K294 A295 | W209-Y248 AromaticContact CH2-CD1 3.91Å; W209-Y248 HydrophobicContact CH2-CD1 3.91Å; W209-Y248 AromaticContact CH2-CE1 3.66Å; W209-Y248 HydrophobicContact CH2-CE1 3.66Å; W209-Y248 AromaticContact CZ3-CE1 3.93Å; W209-Y248 HydrophobicContact CZ3-CE1 3.93Å; P234-Y248 WeakPolarHBondContact CB-OH 3.21Å; A235-Y248 HydrophobicContact CB-CE1 4.03Å; A235-Y248 PolarHBondContact N-OH 2.86Å; I246-Y248 HydrophobicContact CG2-CD1 4.37Å; I246-Y248 HydrophobicContact CG2-CE1 3.92Å; I246-Y248 HydrophobicContact CG2-CE2 4.25Å; Y248-E267 WeakPolarHBondContact CE2-OE1 3.44Å; Y248-L273 HydrophobicContact CD1-CD2 3.98Å; Y248-L273 HydrophobicContact CD2-CD1 4.12Å; Y248-L273 HydrophobicContact CD2-CD2 4.3Å; Y248-L273 HydrophobicContact CE1-CD2 3.85Å; Y248-L273 HydrophobicContact CE2-CD1 4.4Å; Y248-L273 HydrophobicContact CE2-CD2 4.2Å; Y248-L273 HydrophobicContact CG-CD1 4.45Å; Y248-L273 HydrophobicContact CG-CD2 4.19Å; Y248-L293 HydrophobicContact CD1-CD1 4.24Å; Y248-K294 VanDerWaalsContact CA-O 3.29Å; Y248-K294 WeakPolarHBondContact CA-O 3.48Å; Y248-A295 HydrophobicContact CD1-CB 4.15Å; Y248-A295 HydrophobicContact CE1-CB 3.98Å |
| 249 | E | 87.3 | Confident | 76 | Confident | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.4 | 173.3 | -171.6 | -163 | 148.6 | 0 | 0 | 110.3 | L293 K294 | E249-L293 CarbonylContact O-C 3.56Å; E249-L293 WeakPolarHBondContact O-CA 3.12Å; E249-K294 HydrophobicContact CB-CB 4.27Å; E249-K294 HydrophobicContact CB-CD 4.49Å; E249-K294 HydrophobicContact CB-CG 4.42Å; E249-K294 PolarHBondContact N-O 3.03Å; E249-K294 PolarHBondContact O-N 2.82Å; E249-K294 IonicContact OE1-NZ 3.02Å; E249-K294 PolarHBondContact OE1-NZ 3.43Å; E249-K294 WeakPolarHBondContact OE2-CD 3.44Å; E249-K294 WeakPolarHBondContact OE2-CE 3.1Å; E249-K294 IonicContact OE2-NZ 2.68Å; E249-K294 PolarHBondContact OE2-NZ 3.46Å |
| 250 | L | 88.7 | Confident | 74.9 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.1 | 170.6 | -168.8 | 67.6 | 0 | 0 | 0 | 110.3 | F263 L265 L275 L291 | L250-F263 HydrophobicContact CD2-CB 4.43Å; L250-L265 HydrophobicContact CB-CD1 3.94Å; L250-L265 HydrophobicContact CB-CG 4.02Å; L250-L265 HydrophobicContact CD2-CG 4.35Å; L250-L275 HydrophobicContact CD1-CD1 4.29Å; L250-L275 HydrophobicContact CD2-CD1 3.58Å; L250-L291 HydrophobicContact CD1-CB 3.96Å; L250-L291 HydrophobicContact CD1-CD1 3.84Å; L250-L291 HydrophobicContact CD2-CD1 3.93Å; L250-L291 HydrophobicContact CG-CD1 4.03Å |
| 251 | S | 85 | Confident | 74.9 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.7 | -177.1 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | L291 V292 | S251-L291 CarbonylContact O-C 3.55Å; S251-L291 VanDerWaalsContact O-CA 3.3Å; S251-L291 WeakPolarHBondContact O-CA 3.01Å; S251-V292 PolarHBondContact N-O 3.45Å; S251-V292 PolarHBondContact O-N 3.04Å; S251-V292 PolarHBondContact OG-O 2.98Å |
| 252 | P | 83.7 | Confident | 75.5 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 145.9 | 175.8 | 31.9 | -31 | 0 | 0 | 0 | 110.6 | N254 I261 L291 | P252-N254 VanDerWaalsContact C-N 3.26Å; P252-N254 PolarHBondContact O-N 2.74Å; P252-I261 HydrophobicContact CB-CD1 3.87Å; P252-I261 HydrophobicContact CG-CD1 3.94Å; P252-L291 HydrophobicContact CB-CD2 4.47Å |
| 253 | V | 81.2 | Confident | 76.1 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.376 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -62.4 | -35.7 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | K290 V292 Y324 | V253-K290 HydrophobicContact CB-CB 4.32Å; V253-K290 WeakPolarHBondContact CB-O 3.2Å; V253-K290 HydrophobicContact CG2-CB 4.03Å; V253-K290 VanDerWaalsContact CG2-O 3.3Å; V253-K290 WeakPolarHBondContact CG2-O 3.46Å; V253-K290 PolarHBondContact N-O 2.69Å; V253-V292 HydrophobicContact CB-CG2 4.41Å; V253-V292 HydrophobicContact CG2-CG2 3.56Å; V253-Y324 HydrophobicContact CG2-CD1 3.93Å; V253-Y324 HydrophobicContact CG2-CE1 4.14Å |
| 254 | N | 70.7 | Confident | 76.5 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 66% | 0.658 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -103.4 | 130.9 | 179.9 | -69.3 | -11.6 | 0 | 0 | 0 | 110.7 | P252 F256 | P252-N254 VanDerWaalsContact C-N 3.26Å; P252-N254 PolarHBondContact O-N 2.74Å; N254-F256 PolarHBondContact O-N 2.78Å; N254-F256 VanDerWaalsContact O-N 3.08Å |
| 255 | S | 59.6 | Low | 76.9 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 10.4 | -168.9 | 58.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 256 | F | 52.7 | Low | 77.1 | Confident | 187 Ų | 187 | 69.6 Ų | 69.6 | 82% | 0.82 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -34.2 | -173.2 | -74.8 | -82.5 | 0 | 0 | 0 | 113.9 | N254 | N254-F256 PolarHBondContact O-N 2.78Å; N254-F256 VanDerWaalsContact O-N 3.08Å |
| 257 | D | 54.5 | Low | 76.8 | Confident | 110 Ų | 110 | 74 Ų | 74 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | trans | -108 | 76.5 | -179.4 | -77.9 | -60.5 | 0 | 0 | 0 | 112.7 | S259 | D257-S259 VanDerWaalsContact C-N 3.31Š| ||
| 258 | K | 52.9 | Low | 76 | Confident | 180 Ų | 180 | 73.8 Ų | 73.8 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | trans | -82.9 | -1.2 | 170.1 | -80.9 | -161.9 | 171.6 | -165.4 | 0 | 114.4 | ||||
| 259 | S | 54.4 | Low | 74.8 | Confident | 81 Ų | 81 | 75 Ų | 75 | 57% | 0.566 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -102.9 | -27.2 | -167.8 | 58.6 | 0 | 0 | 0 | 0 | 115.5 | D257 | D257-S259 VanDerWaalsContact C-N 3.31Š|
| 260 | H | 64.7 | Low | 73.7 | Confident | 135 Ų | 135 | 77.6 Ų | 77.6 | 63% | 0.625 | 41% | 0.414 | S | S | * | . | trans | -139.5 | 54.3 | -169.3 | -69 | 88.2 | 0 | 0 | 0 | 113.7 | ||||
| 261 | I | 79.4 | Confident | 72.5 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | trans | -82.6 | 120.5 | 166.3 | -56.1 | 172.1 | 0 | 0 | 0 | 107.6 | P252 F263 L291 | P252-I261 HydrophobicContact CB-CD1 3.87Å; P252-I261 HydrophobicContact CG-CD1 3.94Å; I261-F263 HydrophobicContact CG2-CB 4.17Å; I261-F263 HydrophobicContact CG2-CD2 4.28Å; I261-F263 PolarHBondContact O-N 2.81Å; I261-L291 HydrophobicContact CD1-CD2 4.18Å; I261-L291 HydrophobicContact CG2-CD1 3.97Å; I261-L291 HydrophobicContact CG2-CD2 3.93Å | ||
| 262 | P | 87.9 | Confident | 72.3 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.013 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -78.5 | 20.4 | -177.5 | 34.2 | -37.4 | 0 | 0 | 0 | 113.3 | A277 T278 K279 I281 Y289 | P262-A277 CarbonylContact O-C 3.53Å; P262-A277 VanDerWaalsContact O-CA 3.3Å; P262-A277 WeakPolarHBondContact O-CA 3.3Å; P262-T278 WeakPolarHBondContact CA-OG1 3.17Å; P262-T278 PolarHBondContact O-N 3.42Å; P262-T278 PolarHBondContact O-OG1 2.78Å; P262-K279 HydrophobicContact CB-CD 4.2Å; P262-K279 HydrophobicContact CB-CG 3.52Å; P262-I281 HydrophobicContact CB-CD1 4.15Å; P262-I281 HydrophobicContact CG-CD1 4.39Å; P262-Y289 HydrophobicContact CG-CD1 4.48Å; P262-Y289 HydrophobicContact CG-CD2 4.47Å; P262-Y289 HydrophobicContact CG-CE1 3.87Å; P262-Y289 HydrophobicContact CG-CE2 3.84Å; P262-Y289 VanDerWaalsContact CG-CZ 3.49Å |
| 263 | F | 90.4 | Very high | 72.5 | Confident | 10 Ų | 10 | 78.6 Ų | 78.6 | 4% | 0.044 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.4 | -172.5 | -57.3 | -67.9 | 0 | 0 | 0 | 111.6 | F220 L250 I261 L275 Y276 T278 I281 Y289 L291 I327 | F220-F263 HydrophobicContact CD1-CE1 4.04Å; F220-F263 AromaticContact CD2-CE1 3.69Å; F220-F263 HydrophobicContact CD2-CE1 3.69Å; F220-F263 HydrophobicContact CD2-CZ 4.1Å; F220-F263 HydrophobicContact CE1-CD1 4.39Å; F220-F263 AromaticContact CE1-CE1 3.87Å; F220-F263 HydrophobicContact CE1-CE1 3.87Å; F220-F263 HydrophobicContact CE2-CD1 4.01Å; F220-F263 AromaticContact CE2-CE1 3.5Å; F220-F263 HydrophobicContact CE2-CE1 3.5Å; F220-F263 HydrophobicContact CE2-CZ 4.26Å; F220-F263 AromaticContact CG-CE1 3.96Å; F220-F263 HydrophobicContact CG-CE1 3.96Å; F220-F263 HydrophobicContact CG-CZ 4.39Å; F220-F263 AromaticContact CZ-CD1 3.89Å; F220-F263 HydrophobicContact CZ-CD1 3.89Å; F220-F263 AromaticContact CZ-CE1 3.6Å; F220-F263 HydrophobicContact CZ-CE1 3.6Å; L250-F263 HydrophobicContact CD2-CB 4.43Å; I261-F263 HydrophobicContact CG2-CB 4.17Å; I261-F263 HydrophobicContact CG2-CD2 4.28Å; I261-F263 PolarHBondContact O-N 2.81Å; F263-L275 HydrophobicContact CB-CD1 3.91Å; F263-L275 HydrophobicContact CB-CD2 4.03Å; F263-L275 HydrophobicContact CB-CG 3.94Å; F263-L275 HydrophobicContact CD1-CD2 4.01Å; F263-L275 HydrophobicContact CD1-CG 4.28Å; F263-L275 HydrophobicContact CG-CD2 3.98Å; F263-L275 HydrophobicContact CG-CG 4.31Å; F263-Y276 VanDerWaalsContact CA-O 3.32Å; F263-Y276 WeakPolarHBondContact CA-O 3.31Å; F263-T278 PolarHBondContact N-OG1 2.91Å; F263-I281 HydrophobicContact CE1-CD1 3.61Å; F263-I281 HydrophobicContact CZ-CD1 3.78Å; F263-Y289 HydrophobicContact CD2-CG 4.48Å; F263-Y289 AromaticContact CE2-CD2 3.66Å; F263-Y289 HydrophobicContact CE2-CD2 3.66Å; F263-Y289 HydrophobicContact CE2-CE2 4.17Å; F263-Y289 AromaticContact CE2-CG 3.88Å; F263-Y289 HydrophobicContact CE2-CG 3.88Å; F263-Y289 HydrophobicContact CZ-CD2 4.39Å; F263-L291 HydrophobicContact CB-CD1 4.38Å; F263-L291 HydrophobicContact CD2-CD1 4.3Å; F263-I327 HydrophobicContact CD1-CD1 4.44Å; F263-I327 HydrophobicContact CD2-CD1 3.36Å; F263-I327 HydrophobicContact CE1-CG2 4.43Å; F263-I327 HydrophobicContact CE2-CB 4.37Å; F263-I327 HydrophobicContact CE2-CD1 3.43Å; F263-I327 VanDerWaalsContact CE2-CD1 3.43Å; F263-I327 HydrophobicContact CE2-CG1 4.49Å; F263-I327 HydrophobicContact CE2-CG2 4.03Å; F263-I327 HydrophobicContact CG-CD1 3.91Å; F263-I327 HydrophobicContact CZ-CD1 4.05Å; F263-I327 HydrophobicContact CZ-CG2 3.75Å |
| 264 | S | 90.1 | Very high | 72.8 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 166.6 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 110 | L275 Y276 T278 | S264-L275 WeakPolarHBondContact O-CA 3.12Å; S264-Y276 WeakPolarHBondContact CB-OH 2.85Å; S264-Y276 PolarHBondContact N-O 2.88Å; S264-Y276 VanDerWaalsContact O-CD1 3.26Å; S264-Y276 WeakPolarHBondContact O-CD1 3.3Å; S264-Y276 PolarHBondContact O-N 3.4Å; S264-Y276 PolarHBondContact OG-OH 2.9Å; S264-T278 VanDerWaalsContact CB-CG2 3.46Å |
| 265 | L | 89.9 | Confident | 73.8 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.9 | 177.9 | -62.5 | 172.3 | 0 | 0 | 0 | 110.8 | I232 L250 L273 H274 L275 Y276 L293 | I232-L265 HydrophobicContact CD1-CD2 4.32Å; L250-L265 HydrophobicContact CB-CD1 3.94Å; L250-L265 HydrophobicContact CB-CG 4.02Å; L250-L265 HydrophobicContact CD2-CG 4.35Å; L265-L273 HydrophobicContact CB-CD1 4.44Å; L265-L273 HydrophobicContact CD2-CD1 4.42Å; L265-H274 WeakPolarHBondContact CA-O 3.45Å; L265-L275 HydrophobicContact CD2-CD1 3.9Å; L265-Y276 WeakPolarHBondContact O-CE1 3.4Å; L265-L293 HydrophobicContact CD1-CD1 3.47Å; L265-L293 VanDerWaalsContact CD1-CD1 3.47Å; L265-L293 HydrophobicContact CD2-CD1 4.11Å; L265-L293 HydrophobicContact CG-CD1 4.41Å |
| 266 | L | 85.6 | Confident | 75.3 | Confident | 56 Ų | 56 | 68 Ų | 68 | 29% | 0.293 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123 | 167.9 | 174.9 | 65.8 | 0 | 0 | 0 | 107.9 | H274 Y276 | L266-H274 PolarHBondContact N-O 3.19Å; L266-H274 PolarHBondContact O-N 3.35Å; L266-Y276 HydrophobicContact CB-CD1 3.65Å; L266-Y276 HydrophobicContact CB-CE1 3.9Å |
| 267 | E | 78.8 | Confident | 77.1 | Confident | 115 Ų | 115 | 59 Ų | 59 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.8 | 174.2 | -172.6 | 164.2 | -161.7 | 0 | 0 | 108.8 | Y248 L273 | Y248-E267 WeakPolarHBondContact CE2-OE1 3.44Å; E267-L273 HydrophobicContact CB-CD1 4.21Å |
| 268 | D | 69 | Low | 78.8 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.2 | 178.3 | -167.2 | -44.6 | 0 | 0 | 0 | 109.9 | I270 D271 G272 | D268-I270 PolarHBondContact O-N 2.86Å; D268-I270 PolarHBondContact OD1-N 3.06Å; D268-D271 HydrophobicContact CB-CB 4.21Å; D268-D271 PolarHBondContact OD1-N 2.84Å; D268-G272 PolarHBondContact N-O 3.11Å; D268-G272 WeakPolarHBondContact O-CA 3.31Å; D268-G272 PolarHBondContact O-N 3.38Å |
| 269 | S | 65.4 | Low | 80.5 | Confident | 67 Ų | 67 | 51 Ų | 51 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.8 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 270 | I | 64.2 | Low | 82.1 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 73% | 0.733 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -51.9 | 179.8 | -58.7 | 173.7 | 0 | 0 | 0 | 110.8 | D268 | D268-I270 PolarHBondContact O-N 2.86Å; D268-I270 PolarHBondContact OD1-N 3.06Å |
| 271 | D | 63.5 | Low | 83.4 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 40% | 0.401 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12.1 | -171.8 | -71.3 | -20.2 | 0 | 0 | 0 | 113.9 | R229 D268 H274 | R229-D271 IonicContact CZ-OD2 2.78Å; R229-D271 IonicContact NH1-OD2 3.37Å; R229-D271 PolarHBondContact NH1-OD2 2.86Å; R229-D271 IonicContact NH2-OD2 2.84Å; R229-D271 PolarHBondContact NH2-OD2 3.44Å; D268-D271 HydrophobicContact CB-CB 4.21Å; D268-D271 PolarHBondContact OD1-N 2.84Å; D271-H274 WeakPolarHBondContact CB-NE2 3.32Å; D271-H274 PolarHBondContact O-CE1 2.78Å; D271-H274 PolarHBondContact O-NE2 2.99Å |
| 272 | G | 79.3 | Confident | 84 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | -157.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D268 H274 | D268-G272 PolarHBondContact N-O 3.11Å; D268-G272 WeakPolarHBondContact O-CA 3.31Å; D268-G272 PolarHBondContact O-N 3.38Å; G272-H274 PolarHBondContact O-CD2 3.1Å; G272-H274 VanDerWaalsContact O-CD2 3.24Å |
| 273 | L | 87.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.7 | 177.4 | -174.9 | 65 | 0 | 0 | 0 | 110.3 | I232 Y248 L265 E267 L293 | I232-L273 HydrophobicContact CB-CD2 4.33Å; I232-L273 HydrophobicContact CB-CG 4.33Å; I232-L273 HydrophobicContact CG2-CD2 3.94Å; I232-L273 HydrophobicContact CG2-CG 4.47Å; I232-L273 PolarHBondContact N-O 2.97Å; I232-L273 VanDerWaalsContact O-O 3.09Å; Y248-L273 HydrophobicContact CD1-CD2 3.98Å; Y248-L273 HydrophobicContact CD2-CD1 4.12Å; Y248-L273 HydrophobicContact CD2-CD2 4.3Å; Y248-L273 HydrophobicContact CE1-CD2 3.85Å; Y248-L273 HydrophobicContact CE2-CD1 4.4Å; Y248-L273 HydrophobicContact CE2-CD2 4.2Å; Y248-L273 HydrophobicContact CG-CD1 4.45Å; Y248-L273 HydrophobicContact CG-CD2 4.19Å; L265-L273 HydrophobicContact CB-CD1 4.44Å; L265-L273 HydrophobicContact CD2-CD1 4.42Å; E267-L273 HydrophobicContact CB-CD1 4.21Å; L273-L293 HydrophobicContact CD2-CD2 4.14Å |
| 274 | H | 89.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149 | 177.5 | -54 | -78.9 | 0 | 0 | 0 | 112 | R229 R230 N231 L265 L266 D271 G272 | R229-H274 HydrophobicContact CB-CB 4.34Å; R230-H274 CarbonylContact O-C 3.53Å; R230-H274 VanDerWaalsContact O-CA 3.29Å; R230-H274 WeakPolarHBondContact O-CA 3.23Å; N231-H274 PolarHBondContact OD1-CE1 2.94Å; N231-H274 VanDerWaalsContact OD1-CE1 3.28Å; N231-H274 PolarHBondContact OD1-ND1 3.16Å; L265-H274 WeakPolarHBondContact CA-O 3.45Å; L266-H274 PolarHBondContact N-O 3.19Å; L266-H274 PolarHBondContact O-N 3.35Å; D271-H274 WeakPolarHBondContact CB-NE2 3.32Å; D271-H274 PolarHBondContact O-CE1 2.78Å; D271-H274 PolarHBondContact O-NE2 2.99Å; G272-H274 PolarHBondContact O-CD2 3.1Å; G272-H274 VanDerWaalsContact O-CD2 3.24Å |
| 275 | L | 91.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.4 | 157.9 | -162.9 | 74.7 | 0 | 0 | 0 | 108.6 | I218 F220 R229 R230 I232 L250 F263 S264 L265 I327 | I218-L275 HydrophobicContact CD1-CB 4.31Å; I218-L275 HydrophobicContact CD1-CD2 3.98Å; F220-L275 HydrophobicContact CE2-CD2 4.18Å; R229-L275 CarbonylContact C-O 3.52Å; R229-L275 WeakPolarHBondContact CA-O 3.41Å; R230-L275 PolarHBondContact N-O 2.96Å; R230-L275 PolarHBondContact O-N 2.84Å; I232-L275 HydrophobicContact CD1-CB 3.87Å; I232-L275 HydrophobicContact CD1-CD1 4.38Å; I232-L275 HydrophobicContact CG1-CB 4.37Å; L250-L275 HydrophobicContact CD1-CD1 4.29Å; L250-L275 HydrophobicContact CD2-CD1 3.58Å; F263-L275 HydrophobicContact CB-CD1 3.91Å; F263-L275 HydrophobicContact CB-CD2 4.03Å; F263-L275 HydrophobicContact CB-CG 3.94Å; F263-L275 HydrophobicContact CD1-CD2 4.01Å; F263-L275 HydrophobicContact CD1-CG 4.28Å; F263-L275 HydrophobicContact CG-CD2 3.98Å; F263-L275 HydrophobicContact CG-CG 4.31Å; S264-L275 WeakPolarHBondContact O-CA 3.12Å; L265-L275 HydrophobicContact CD2-CD1 3.9Å; L275-I327 HydrophobicContact CD2-CD1 3.41Å; L275-I327 VanDerWaalsContact CD2-CD1 3.41Å; L275-I327 HydrophobicContact CD2-CG1 4.11Å |
| 276 | Y | 91 | Very high | 83.9 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.6 | 176 | 74.7 | -83.7 | 0 | 0 | 0 | 113 | S228 F263 S264 L265 L266 T278 | S228-Y276 CarbonylContact O-C 3.54Å; S228-Y276 VanDerWaalsContact O-CA 3.24Å; S228-Y276 WeakPolarHBondContact O-CA 3.27Å; F263-Y276 VanDerWaalsContact CA-O 3.32Å; F263-Y276 WeakPolarHBondContact CA-O 3.31Å; S264-Y276 WeakPolarHBondContact CB-OH 2.85Å; S264-Y276 PolarHBondContact N-O 2.88Å; S264-Y276 VanDerWaalsContact O-CD1 3.26Å; S264-Y276 WeakPolarHBondContact O-CD1 3.3Å; S264-Y276 PolarHBondContact O-N 3.4Å; S264-Y276 PolarHBondContact OG-OH 2.9Å; L265-Y276 WeakPolarHBondContact O-CE1 3.4Å; L266-Y276 HydrophobicContact CB-CD1 3.65Å; L266-Y276 HydrophobicContact CB-CE1 3.9Å; Y276-T278 HydrophobicContact CE2-CG2 4Å |
| 277 | A | 90.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F220 G227 S228 P262 I281 | F220-A277 HydrophobicContact CE1-CB 4.14Å; G227-A277 PolarHBondContact N-O 2.77Å; S228-A277 PolarHBondContact O-N 2.76Å; P262-A277 CarbonylContact O-C 3.53Å; P262-A277 VanDerWaalsContact O-CA 3.3Å; P262-A277 WeakPolarHBondContact O-CA 3.3Å; A277-I281 HydrophobicContact CB-CD1 3.87Å; A277-I281 HydrophobicContact CB-CG1 4.03Å |
| 278 | T | 89.6 | Confident | 84.7 | Confident | 61 Ų | 61 | 54 Ų | 54 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -95.8 | -25.4 | -179 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | P262 F263 S264 Y276 | P262-T278 WeakPolarHBondContact CA-OG1 3.17Å; P262-T278 PolarHBondContact O-N 3.42Å; P262-T278 PolarHBondContact O-OG1 2.78Å; F263-T278 PolarHBondContact N-OG1 2.91Å; S264-T278 VanDerWaalsContact CB-CG2 3.46Å; Y276-T278 HydrophobicContact CE2-CG2 4Å |
| 279 | K | 87.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -117.6 | 171.7 | 159.5 | 59.8 | 161.5 | 179.5 | 179.5 | 0 | 109.2 | P262 E285 | P262-K279 HydrophobicContact CB-CD 4.2Å; P262-K279 HydrophobicContact CB-CG 3.52Å; K279-E285 IonicContact NZ-OE1 3.99Å; K279-E285 PolarHBondContact NZ-OE1 2.99Å; K279-E285 IonicContact NZ-OE2 3.07Å; K279-E285 PolarHBondContact NZ-OE2 3.27Å |
| 280 | Q | 89.5 | Confident | 86.8 | Confident | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | trans | -60.6 | 140.5 | 165.8 | -177.6 | 172.7 | -22.7 | 0 | 0 | 108.9 | D224 | D224-Q280 WeakPolarHBondContact O-CA 3.32Š| ||
| 281 | I | 91.5 | Very high | 88 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -78.9 | 142.7 | 177 | -56.9 | -54.1 | 0 | 0 | 0 | 109.6 | F220 G223 D224 P262 F263 A277 I329 | F220-I281 HydrophobicContact CB-CG2 4.41Å; F220-I281 HydrophobicContact CD1-CG1 4.06Å; G223-I281 VanDerWaalsContact CA-O 3.24Å; G223-I281 WeakPolarHBondContact CA-O 3.3Å; G223-I281 PolarHBondContact N-O 3.3Å; D224-I281 HydrophobicContact CB-CB 3.92Å; D224-I281 HydrophobicContact CB-CG1 3.74Å; D224-I281 PolarHBondContact O-N 3.42Å; P262-I281 HydrophobicContact CB-CD1 4.15Å; P262-I281 HydrophobicContact CG-CD1 4.39Å; F263-I281 HydrophobicContact CE1-CD1 3.61Å; F263-I281 HydrophobicContact CZ-CD1 3.78Å; A277-I281 HydrophobicContact CB-CD1 3.87Å; A277-I281 HydrophobicContact CB-CG1 4.03Å; I281-I329 HydrophobicContact CG2-CB 4.35Å; I281-I329 HydrophobicContact CG2-CD1 3.53Å; I281-I329 HydrophobicContact CG2-CG1 3.67Å; I281-I329 HydrophobicContact CG2-CG2 3.71Å | ||
| 282 | D | 91 | Very high | 89.3 | Confident | 69 Ų | 69 | 45 Ų | 45 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | trans | -148.2 | 116.5 | -172.4 | 175.6 | -40.7 | 0 | 0 | 0 | 106.2 | D222 E284 E285 | D222-D282 VanDerWaalsContact OD1-CA 3.24Å; D222-D282 WeakPolarHBondContact OD1-CA 3.35Å; D282-E284 WeakPolarHBondContact OD1-CB 3.49Å; D282-E284 PolarHBondContact OD1-N 2.84Å; D282-E284 VanDerWaalsContact OD1-N 3.08Å; D282-E285 HydrophobicContact CB-CB 4.39Å; D282-E285 WeakPolarHBondContact OD1-CB 3.16Å; D282-E285 PolarHBondContact OD1-N 3.28Å | ||
| 283 | R | 93.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -24.3 | -177.4 | -161.2 | -164.2 | 58.8 | 33.1 | 0.2 | 112.5 | D222 Q286 S287 I329 D331 L368 S370 | D222-R283 HydrophobicContact CB-CB 4.44Å; D222-R283 PolarHBondContact OD1-N 2.84Å; D222-R283 WeakPolarHBondContact OD2-CB 3.24Å; D222-R283 PolarHBondContact OD2-N 3.48Å; R283-Q286 CarbonylContact O-C 3.53Å; R283-Q286 VanDerWaalsContact O-C 3.31Å; R283-Q286 PolarHBondContact O-N 3.11Å; R283-S287 PolarHBondContact O-N 2.97Å; R283-I329 HydrophobicContact CB-CB 4.41Å; R283-I329 HydrophobicContact CB-CG2 3.69Å; R283-I329 HydrophobicContact CG-CB 4.07Å; R283-I329 HydrophobicContact CG-CG2 3.82Å; R283-D331 IonicContact CZ-OD1 2.68Å; R283-D331 IonicContact NE-OD1 2.99Å; R283-D331 PolarHBondContact NE-OD1 2.86Å; R283-D331 IonicContact NH2-OD1 3.23Å; R283-D331 PolarHBondContact NH2-OD1 2.79Å; R283-L368 PolarHBondContact NH2-O 2.87Å; R283-L368 VanDerWaalsContact NH2-O 3.09Å; R283-S370 PolarHBondContact NH2-OG 3.23Å |
| 284 | E | 90.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -39.1 | 177.6 | -87.2 | 40.6 | -97.7 | 0 | 0 | 111.3 | D282 L368 | D282-E284 WeakPolarHBondContact OD1-CB 3.49Å; D282-E284 PolarHBondContact OD1-N 2.84Å; D282-E284 VanDerWaalsContact OD1-N 3.08Å; E284-L368 HydrophobicContact CG-CB 3.74Å; E284-L368 HydrophobicContact CG-CD1 4.22Å |
| 285 | E | 87.3 | Confident | 90.1 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -45.1 | 171.4 | -165.5 | -167.4 | 118.4 | 0 | 0 | 111.3 | K279 D282 | K279-E285 IonicContact NZ-OE1 3.99Å; K279-E285 PolarHBondContact NZ-OE1 2.99Å; K279-E285 IonicContact NZ-OE2 3.07Å; K279-E285 PolarHBondContact NZ-OE2 3.27Å; D282-E285 HydrophobicContact CB-CB 4.39Å; D282-E285 WeakPolarHBondContact OD1-CB 3.16Å; D282-E285 PolarHBondContact OD1-N 3.28Å |
| 286 | Q | 87.2 | Confident | 90 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | trans | -162.1 | 114.1 | 179.9 | -173.8 | 63.1 | -105.1 | 0 | 0 | 113.8 | R283 Q288 Y289 I329 | R283-Q286 CarbonylContact O-C 3.53Å; R283-Q286 VanDerWaalsContact O-C 3.31Å; R283-Q286 PolarHBondContact O-N 3.11Å; Q286-Q288 VanDerWaalsContact CG-O 3.24Å; Q286-Q288 WeakPolarHBondContact CG-O 3.19Å; Q286-Q288 PolarHBondContact O-N 2.91Å; Q286-Q288 PolarHBondContact OE1-O 3.42Å; Q286-Y289 HydrophobicContact CB-CE1 4.3Å; Q286-Y289 HydrophobicContact CB-CE2 3.72Å; Q286-Y289 WeakPolarHBondContact CB-OH 3.06Å; Q286-Y289 HydrophobicContact CG-CD1 4.3Å; Q286-Y289 HydrophobicContact CG-CD2 4.01Å; Q286-Y289 HydrophobicContact CG-CE1 3.92Å; Q286-Y289 HydrophobicContact CG-CE2 3.62Å; Q286-Y289 HydrophobicContact CG-CG 4.35Å; Q286-I329 VanDerWaalsContact O-CD1 3.23Å; Q286-I329 WeakPolarHBondContact O-CD1 3.38Å | ||
| 287 | S | 89.4 | Confident | 89.8 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -75 | -16.9 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 116 | R283 I329 | R283-S287 PolarHBondContact O-N 2.97Å; S287-I329 PolarHBondContact O-N 3.35Å; S287-I329 VanDerWaalsContact O-N 3.17Å |
| 288 | Q | 90.7 | Very high | 88.8 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 142.1 | 179.1 | 73 | -166.1 | -96.3 | 0 | 0 | 113.4 | Q286 I327 | Q286-Q288 VanDerWaalsContact CG-O 3.24Å; Q286-Q288 WeakPolarHBondContact CG-O 3.19Å; Q286-Q288 PolarHBondContact O-N 2.91Å; Q286-Q288 PolarHBondContact OE1-O 3.42Å; Q288-I327 CarbonylContact C-O 3.55Å; Q288-I327 VanDerWaalsContact CA-O 3.31Å; Q288-I327 WeakPolarHBondContact CA-O 3.44Å |
| 289 | Y | 89.2 | Confident | 87.3 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.6 | 172.2 | -66.9 | -96.5 | 0 | 0 | 0 | 110.7 | P262 F263 Q286 I327 I329 | P262-Y289 HydrophobicContact CG-CD1 4.48Å; P262-Y289 HydrophobicContact CG-CD2 4.47Å; P262-Y289 HydrophobicContact CG-CE1 3.87Å; P262-Y289 HydrophobicContact CG-CE2 3.84Å; P262-Y289 VanDerWaalsContact CG-CZ 3.49Å; F263-Y289 HydrophobicContact CD2-CG 4.48Å; F263-Y289 AromaticContact CE2-CD2 3.66Å; F263-Y289 HydrophobicContact CE2-CD2 3.66Å; F263-Y289 HydrophobicContact CE2-CE2 4.17Å; F263-Y289 AromaticContact CE2-CG 3.88Å; F263-Y289 HydrophobicContact CE2-CG 3.88Å; F263-Y289 HydrophobicContact CZ-CD2 4.39Å; Q286-Y289 HydrophobicContact CB-CE1 4.3Å; Q286-Y289 HydrophobicContact CB-CE2 3.72Å; Q286-Y289 WeakPolarHBondContact CB-OH 3.06Å; Q286-Y289 HydrophobicContact CG-CD1 4.3Å; Q286-Y289 HydrophobicContact CG-CD2 4.01Å; Q286-Y289 HydrophobicContact CG-CE1 3.92Å; Q286-Y289 HydrophobicContact CG-CE2 3.62Å; Q286-Y289 HydrophobicContact CG-CG 4.35Å; Y289-I327 PolarHBondContact N-O 2.96Å; Y289-I327 PolarHBondContact O-N 2.67Å; Y289-I329 HydrophobicContact CD2-CD1 4.02Å; Y289-I329 HydrophobicContact CE2-CD1 3.75Å |
| 290 | K | 89.4 | Confident | 85.6 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.1 | 180 | -67.7 | 177.6 | -176.8 | 145.5 | 0 | 109.2 | V253 | V253-K290 HydrophobicContact CB-CB 4.32Å; V253-K290 WeakPolarHBondContact CB-O 3.2Å; V253-K290 HydrophobicContact CG2-CB 4.03Å; V253-K290 VanDerWaalsContact CG2-O 3.3Å; V253-K290 WeakPolarHBondContact CG2-O 3.46Å; V253-K290 PolarHBondContact N-O 2.69Å |
| 291 | L | 90 | Very high | 83.3 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 158.9 | -174.3 | -52.4 | -175.6 | 0 | 0 | 0 | 110.6 | L250 S251 P252 I261 F263 V325 I327 | L250-L291 HydrophobicContact CD1-CB 3.96Å; L250-L291 HydrophobicContact CD1-CD1 3.84Å; L250-L291 HydrophobicContact CD2-CD1 3.93Å; L250-L291 HydrophobicContact CG-CD1 4.03Å; S251-L291 CarbonylContact O-C 3.55Å; S251-L291 VanDerWaalsContact O-CA 3.3Å; S251-L291 WeakPolarHBondContact O-CA 3.01Å; P252-L291 HydrophobicContact CB-CD2 4.47Å; I261-L291 HydrophobicContact CD1-CD2 4.18Å; I261-L291 HydrophobicContact CG2-CD1 3.97Å; I261-L291 HydrophobicContact CG2-CD2 3.93Å; F263-L291 HydrophobicContact CB-CD1 4.38Å; F263-L291 HydrophobicContact CD2-CD1 4.3Å; L291-V325 HydrophobicContact CB-CB 4.46Å; L291-V325 PolarHBondContact N-O 2.96Å; L291-V325 PolarHBondContact O-N 2.79Å; L291-I327 HydrophobicContact CD1-CD1 3.66Å; L291-I327 HydrophobicContact CG-CD1 4.19Å |
| 292 | V | 90.3 | Very high | 80.5 | Confident | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.9 | 168.7 | -173.1 | 0 | 0 | 0 | 0 | 107.2 | S251 V253 K294 T322 Y324 | S251-V292 PolarHBondContact N-O 3.45Å; S251-V292 PolarHBondContact O-N 3.04Å; S251-V292 PolarHBondContact OG-O 2.98Å; V253-V292 HydrophobicContact CB-CG2 4.41Å; V253-V292 HydrophobicContact CG2-CG2 3.56Å; V292-K294 HydrophobicContact CG1-CG 4.34Å; V292-T322 HydrophobicContact CG1-CG2 4.28Å; V292-Y324 HydrophobicContact CG2-CD1 3.92Å; V292-Y324 HydrophobicContact CG2-CE1 3.76Å |
| 293 | L | 91.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130 | 166.4 | 177.4 | 63.7 | 0 | 0 | 0 | 108 | W209 I232 Y248 E249 L265 L273 T322 L323 V325 | W209-L293 HydrophobicContact CH2-CD2 3.39Å; W209-L293 HydrophobicContact CH2-CG 3.6Å; W209-L293 HydrophobicContact CZ2-CD2 4.21Å; W209-L293 HydrophobicContact CZ2-CG 4.06Å; W209-L293 HydrophobicContact CZ3-CD2 3.78Å; W209-L293 HydrophobicContact CZ3-CG 4.47Å; I232-L293 HydrophobicContact CD1-CD2 4.4Å; I232-L293 HydrophobicContact CG2-CD2 3.67Å; Y248-L293 HydrophobicContact CD1-CD1 4.24Å; E249-L293 CarbonylContact O-C 3.56Å; E249-L293 WeakPolarHBondContact O-CA 3.12Å; L265-L293 HydrophobicContact CD1-CD1 3.47Å; L265-L293 VanDerWaalsContact CD1-CD1 3.47Å; L265-L293 HydrophobicContact CD2-CD1 4.11Å; L265-L293 HydrophobicContact CG-CD1 4.41Å; L273-L293 HydrophobicContact CD2-CD2 4.14Å; L293-T322 CarbonylContact O-C 3.46Å; L293-T322 WeakPolarHBondContact O-CA 3.33Å; L293-L323 HydrophobicContact CB-CB 4.36Å; L293-L323 HydrophobicContact CD2-CD2 4.22Å; L293-L323 PolarHBondContact N-O 2.93Å; L293-L323 PolarHBondContact O-N 2.83Å; L293-V325 HydrophobicContact CB-CG2 4.04Å |
| 294 | K | 90.8 | Very high | 74.8 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.7 | 172.9 | -40 | -176.8 | -156.1 | 152.1 | 0 | 109.9 | Y248 E249 V292 T320 S321 T322 | Y248-K294 VanDerWaalsContact CA-O 3.29Å; Y248-K294 WeakPolarHBondContact CA-O 3.48Å; E249-K294 HydrophobicContact CB-CB 4.27Å; E249-K294 HydrophobicContact CB-CD 4.49Å; E249-K294 HydrophobicContact CB-CG 4.42Å; E249-K294 PolarHBondContact N-O 3.03Å; E249-K294 PolarHBondContact O-N 2.82Å; E249-K294 IonicContact OE1-NZ 3.02Å; E249-K294 PolarHBondContact OE1-NZ 3.43Å; E249-K294 WeakPolarHBondContact OE2-CD 3.44Å; E249-K294 WeakPolarHBondContact OE2-CE 3.1Å; E249-K294 IonicContact OE2-NZ 2.68Å; E249-K294 PolarHBondContact OE2-NZ 3.46Å; V292-K294 HydrophobicContact CG1-CG 4.34Å; K294-T320 HydrophobicContact CB-CG2 3.99Å; K294-S321 CarbonylContact C-O 3.39Å; K294-S321 VanDerWaalsContact CA-O 3.29Å; K294-S321 WeakPolarHBondContact CA-O 3.41Å; K294-T322 HydrophobicContact CB-CG2 4.41Å; K294-T322 HydrophobicContact CG-CG2 4.1Å |
| 295 | A | 90.3 | Very high | 72 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | P207 W209 A235 I246 T247 Y248 T320 S321 | P207-A295 HydrophobicContact CB-CB 4.03Å; W209-A295 HydrophobicContact CH2-CB 3.84Å; W209-A295 HydrophobicContact CZ2-CB 3.57Å; A235-A295 HydrophobicContact CB-CB 3.51Å; I246-A295 HydrophobicContact CG2-CB 3.67Å; T247-A295 WeakPolarHBondContact O-CA 3.3Å; Y248-A295 HydrophobicContact CD1-CB 4.15Å; Y248-A295 HydrophobicContact CE1-CB 3.98Å; A295-T320 CarbonylContact O-C 3.11Å; A295-T320 VanDerWaalsContact O-CA 3.26Å; A295-T320 WeakPolarHBondContact O-CA 2.98Å; A295-S321 PolarHBondContact N-O 2.85Å; A295-S321 PolarHBondContact O-N 2.58Å |
| 296 | T | 89.3 | Confident | 69.3 | Low | 27 Ų | 27 | 62.1 Ų | 62.1 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127 | -173.2 | -48 | 0 | 0 | 0 | 0 | 110.3 | I246 T247 S299 F319 | I246-T296 CarbonylContact C-O 3.47Å; I246-T296 WeakPolarHBondContact CA-O 3.42Å; T247-T296 PolarHBondContact N-O 2.9Å; T247-T296 PolarHBondContact O-N 2.93Å; T247-T296 PolarHBondContact OG1-O 3.42Å; T296-S299 PolarHBondContact O-OG 2.93Å; T296-S299 VanDerWaalsContact O-OG 3.05Å; T296-F319 WeakPolarHBondContact CG2-O 3.23Å |
| 297 | D | 86.5 | Confident | 66.7 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -76.9 | 180 | 176.6 | 53.8 | 78.5 | 0 | 0 | 0 | 113.8 | N203 P207 N243 S299 R318 F319 | N203-D297 PolarHBondContact ND2-OD1 3.08Å; P207-D297 WeakPolarHBondContact CD-OD2 3.29Å; P207-D297 HydrophobicContact CG-CB 3.8Å; N243-D297 VanDerWaalsContact O-CB 3.3Å; N243-D297 WeakPolarHBondContact O-CB 3.4Å; D297-S299 WeakPolarHBondContact O-CB 3.18Å; D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 PolarHBondContact O-OG 3.09Å; D297-R318 WeakPolarHBondContact O-CD 3.03Å; D297-R318 WeakPolarHBondContact OD1-CA 3.26Å; D297-R318 WeakPolarHBondContact OD1-CB 3.39Å; D297-F319 VanDerWaalsContact CG-N 3.32Å; D297-F319 PolarHBondContact OD1-N 3.23Å; D297-F319 VanDerWaalsContact OD1-N 3.11Å; D297-F319 WeakPolarHBondContact OD2-CA 3.33Å; D297-F319 VanDerWaalsContact OD2-CB 3.23Å; D297-F319 WeakPolarHBondContact OD2-CB 3.08Å; D297-F319 PolarHBondContact OD2-N 2.89Å |
| 298 | G | 70.1 | Confident | 63.8 | Low | 12 Ų | 12 | 66 Ų | 66 | 12% | 0.124 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 62.7 | 18.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I242 N243 R318 | I242-G298 VanDerWaalsContact O-CA 3.26Å; I242-G298 WeakPolarHBondContact O-CA 3.38Å; I242-G298 PolarHBondContact O-N 2.88Å; N243-G298 PolarHBondContact O-N 3.45Å; N243-G298 VanDerWaalsContact O-N 3.12Å; G298-R318 VanDerWaalsContact O-CZ 3.24Å; G298-R318 PolarHBondContact O-NE 2.83Å; G298-R318 PolarHBondContact O-NH2 3.14Å |
| 299 | S | 58.7 | Low | 60.9 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | trans | -113 | 79.2 | -156 | 34.1 | 0 | 0 | 0 | 0 | 114.3 | T247 T296 D297 | T247-S299 VanDerWaalsContact CG2-OG 3.31Å; T247-S299 WeakPolarHBondContact CG2-OG 3.29Å; T247-S299 WeakPolarHBondContact OG1-CB 3.28Å; T247-S299 PolarHBondContact OG1-OG 3.49Å; T296-S299 PolarHBondContact O-OG 2.93Å; T296-S299 VanDerWaalsContact O-OG 3.05Å; D297-S299 WeakPolarHBondContact O-CB 3.18Å; D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 PolarHBondContact O-OG 3.09Å | ||
| 300 | Y | 51.2 | Low | 58.2 | Low | 155 Ų | 155 | 71.6 Ų | 71.6 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | trans | -79.7 | 120.3 | 175.7 | -142.5 | -81.5 | 0 | 0 | 0 | 112.9 | I242 L302 | I242-Y300 HydrophobicContact CD1-CD2 3.99Å; I242-Y300 HydrophobicContact CD1-CE2 4.12Å; I242-Y300 HydrophobicContact CG1-CD2 4.16Å; I242-Y300 HydrophobicContact CG1-CE2 4.35Å; I242-Y300 HydrophobicContact CG2-CD2 4.26Å; Y300-L302 HydrophobicContact CD1-CD1 4.05Å; Y300-L302 HydrophobicContact CE1-CD1 4.38Å; Y300-L302 PolarHBondContact O-N 3.37Å | ||
| 301 | S | 40.3 | Very low | 55.3 | Low | 117 Ų | 117 | 72.6 Ų | 72.6 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | trans | -81.6 | 76.6 | 178.7 | 53 | 0 | 0 | 0 | 0 | 112.8 | S303 | S301-S303 PolarHBondContact O-N 3.47Š| ||
| 302 | L | 34.5 | Very low | 52.3 | Low | 138 Ų | 138 | 79 Ų | 79 | 72% | 0.723 | 49% | 0.487 | S | S | * | . | trans | -67.1 | 117.5 | 179.8 | -141.9 | 77.8 | 0 | 0 | 0 | 111.6 | Y300 S304 | Y300-L302 HydrophobicContact CD1-CD1 4.05Å; Y300-L302 HydrophobicContact CE1-CD1 4.38Å; Y300-L302 PolarHBondContact O-N 3.37Å; L302-S304 PolarHBondContact O-N 3.19Å | ||
| 303 | S | 34.6 | Very low | 49.5 | Very low | 71 Ų | 71 | 85.9 Ų | 85.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | trans | -63.6 | 129.9 | -175.2 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | S301 S305 | S301-S303 PolarHBondContact O-N 3.47Å; S303-S305 PolarHBondContact O-N 3.2Å | ||
| 304 | S | 30.1 | Very low | 46.6 | Very low | 128 Ų | 128 | 90.9 Ų | 90.9 | 90% | 0.895 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -73.3 | 73.9 | -167.4 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | L302 | L302-S304 PolarHBondContact O-N 3.19Š|
| 305 | S | 29.9 | Very low | 44.5 | Very low | 100 Ų | 100 | 93.8 Ų | 93.8 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -152.7 | 32.1 | 172.6 | 73.1 | 0 | 0 | 0 | 0 | 116 | S303 | S303-S305 PolarHBondContact O-N 3.2Š|
| 306 | T | 32.1 | Very low | 42.8 | Very low | 125 Ų | 125 | 101.4 Ų | 101.4 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -156.9 | 167.6 | 170.7 | 6.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 307 | S | 32.1 | Very low | 41.8 | Very low | 86 Ų | 86 | 106 Ų | 106 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | trans | 55.9 | 72.1 | 157.6 | 49.3 | 0 | 0 | 0 | 0 | 117.4 | A309 | S307-A309 PolarHBondContact O-N 3.45Š| ||
| 308 | S | 28.3 | Very low | 41.6 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -64.5 | 61.7 | 142 | 58 | 0 | 0 | 0 | 0 | 111 | ||
| 309 | A | 30.5 | Very low | 42.5 | Very low | 74 Ų | 74 | 114.4 Ų | 114.4 | 61% | 0.612 | 66% | 0.656 | S | S | * | * | trans | -168.8 | 78.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S307 | S307-A309 PolarHBondContact O-N 3.45Š| ||
| 310 | L | 31.9 | Very low | 44 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | trans | -170.5 | 59.5 | 155.4 | -108.6 | 162.7 | 0 | 0 | 0 | 111.6 | N312 | L310-N312 PolarHBondContact O-N 2.83Š| ||
| 311 | S | 27.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 78 | 168.3 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 312 | N | 27.3 | Very low | 48.3 | Very low | 138 Ų | 138 | 108.5 Ų | 108.5 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.1 | 31.4 | 165.2 | -100 | -3.6 | 0 | 0 | 0 | 113.7 | L310 S314 | L310-N312 PolarHBondContact O-N 2.83Å; N312-S314 VanDerWaalsContact C-N 3.33Å; N312-S314 PolarHBondContact O-N 3.44Å |
| 313 | E | 32 | Very low | 51.1 | Low | 165 Ų | 165 | 102 Ų | 102 | 77% | 0.771 | 60% | 0.598 | S | S | * | * | trans | -77.5 | 84.8 | 168.3 | -73.8 | -171 | 162.7 | 0 | 0 | 110.6 | ||||
| 314 | S | 30.5 | Very low | 53.9 | Low | 105 Ų | 105 | 104 Ų | 104 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -124.1 | 38.2 | 174.8 | 66 | 0 | 0 | 0 | 0 | 111.3 | N312 | N312-S314 VanDerWaalsContact C-N 3.33Å; N312-S314 PolarHBondContact O-N 3.44Å | ||
| 315 | T | 45.9 | Very low | 56.8 | Low | 117 Ų | 117 | 98 Ų | 98 | 72% | 0.718 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -149.5 | -1.7 | -165.6 | 4.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 316 | F | 56.1 | Low | 59.8 | Low | 159 Ų | 159 | 94 Ų | 94 | 70% | 0.697 | 52% | 0.524 | S | S | * | . | trans | -112.9 | 107.9 | 170.9 | -74.2 | -77.7 | 0 | 0 | 0 | 110.1 | ||||
| 317 | K | 68.3 | Low | 62.6 | Low | 125 Ų | 125 | 88 Ų | 88 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | trans | -75.6 | 139.9 | 163 | -172.7 | -175.4 | 176.7 | -163 | 0 | 107 | N203 F319 | N203-K317 VanDerWaalsContact CG-O 3.29Å; N203-K317 PolarHBondContact OD1-O 3.01Å; N203-K317 VanDerWaalsContact OD1-O 3.04Å; K317-F319 HydrophobicContact CD-CE1 4.37Å; K317-F319 HydrophobicContact CD-CE2 4.08Å; K317-F319 HydrophobicContact CD-CZ 3.89Å; K317-F319 HydrophobicContact CG-CE2 4.39Å | ||
| 318 | R | 82.2 | Confident | 65.5 | Low | 141 Ų | 141 | 86.6 Ų | 86.6 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | trans | -121.3 | 151.4 | 163.9 | -72 | -177.5 | -178 | 142.9 | 5.1 | 108.4 | D297 G298 | D297-R318 WeakPolarHBondContact O-CD 3.03Å; D297-R318 WeakPolarHBondContact OD1-CA 3.26Å; D297-R318 WeakPolarHBondContact OD1-CB 3.39Å; G298-R318 VanDerWaalsContact O-CZ 3.24Å; G298-R318 PolarHBondContact O-NE 2.83Å; G298-R318 PolarHBondContact O-NH2 3.14Å | ||
| 319 | F | 87.7 | Confident | 68.6 | Low | 46 Ų | 46 | 80.9 Ų | 80.9 | 20% | 0.202 | 43% | 0.429 | C | S | . | . | trans | -110.2 | 174.2 | 169.2 | -53 | -105.7 | 0 | 0 | 0 | 110.3 | N203 D204 N205 A206 T296 D297 K317 | N203-F319 WeakPolarHBondContact OD1-CD2 3.26Å; N203-F319 WeakPolarHBondContact OD1-CE2 3.25Å; D204-F319 VanDerWaalsContact O-CZ 3.26Å; D204-F319 WeakPolarHBondContact O-CZ 3.35Å; N205-F319 WeakPolarHBondContact O-CD2 3.47Å; N205-F319 WeakPolarHBondContact O-CE2 3.41Å; A206-F319 HydrophobicContact CB-CB 3.44Å; A206-F319 VanDerWaalsContact CB-CB 3.44Å; A206-F319 HydrophobicContact CB-CD1 3.82Å; A206-F319 HydrophobicContact CB-CD2 4.34Å; A206-F319 HydrophobicContact CB-CE1 4.49Å; A206-F319 HydrophobicContact CB-CG 3.67Å; T296-F319 WeakPolarHBondContact CG2-O 3.23Å; D297-F319 VanDerWaalsContact CG-N 3.32Å; D297-F319 PolarHBondContact OD1-N 3.23Å; D297-F319 VanDerWaalsContact OD1-N 3.11Å; D297-F319 WeakPolarHBondContact OD2-CA 3.33Å; D297-F319 VanDerWaalsContact OD2-CB 3.23Å; D297-F319 WeakPolarHBondContact OD2-CB 3.08Å; D297-F319 PolarHBondContact OD2-N 2.89Å; K317-F319 HydrophobicContact CD-CE1 4.37Å; K317-F319 HydrophobicContact CD-CE2 4.08Å; K317-F319 HydrophobicContact CD-CZ 3.89Å; K317-F319 HydrophobicContact CG-CE2 4.39Å | ||
| 320 | T | 89.6 | Confident | 71.5 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 131.5 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 108.6 | K294 A295 | K294-T320 HydrophobicContact CB-CG2 3.99Å; A295-T320 CarbonylContact O-C 3.11Å; A295-T320 VanDerWaalsContact O-CA 3.26Å; A295-T320 WeakPolarHBondContact O-CA 2.98Å |
| 321 | S | 91.3 | Very high | 74.4 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 16% | 0.161 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 162.2 | 166.3 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | P207 W209 K294 A295 | P207-S321 WeakPolarHBondContact O-CB 3.21Å; P207-S321 PolarHBondContact O-OG 3.06Å; W209-S321 PolarHBondContact NE1-OG 3.16Å; K294-S321 CarbonylContact C-O 3.39Å; K294-S321 VanDerWaalsContact CA-O 3.29Å; K294-S321 WeakPolarHBondContact CA-O 3.41Å; A295-S321 PolarHBondContact N-O 2.85Å; A295-S321 PolarHBondContact O-N 2.58Å |
| 322 | T | 92.4 | Very high | 77.4 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 142.7 | -172.5 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | W209 V292 L293 K294 | W209-T322 PolarHBondContact NE1-O 2.87Å; V292-T322 HydrophobicContact CG1-CG2 4.28Å; L293-T322 CarbonylContact O-C 3.46Å; L293-T322 WeakPolarHBondContact O-CA 3.33Å; K294-T322 HydrophobicContact CB-CG2 4.41Å; K294-T322 HydrophobicContact CG-CG2 4.1Å |
| 323 | L | 92.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.6 | 178.2 | -180 | 71.8 | 0 | 0 | 0 | 108.4 | W209 L213 F216 I232 L293 V325 | W209-L323 HydrophobicContact CD2-CB 3.98Å; W209-L323 HydrophobicContact CD2-CD2 4.2Å; W209-L323 HydrophobicContact CE3-CD2 4.07Å; W209-L323 HydrophobicContact CG-CB 4.33Å; W209-L323 HydrophobicContact CG-CD1 4.48Å; W209-L323 HydrophobicContact CZ2-CB 3.92Å; W209-L323 HydrophobicContact CZ3-CD2 4.31Å; L213-L323 HydrophobicContact CB-CD1 3.79Å; L213-L323 VanDerWaalsContact O-CD1 3.31Å; L213-L323 WeakPolarHBondContact O-CD1 3.26Å; F216-L323 HydrophobicContact CB-CD1 4.19Å; F216-L323 HydrophobicContact CB-CD2 3.99Å; F216-L323 HydrophobicContact CB-CG 4.24Å; I232-L323 HydrophobicContact CG2-CD2 4.4Å; L293-L323 HydrophobicContact CB-CB 4.36Å; L293-L323 HydrophobicContact CD2-CD2 4.22Å; L293-L323 PolarHBondContact N-O 2.93Å; L293-L323 PolarHBondContact O-N 2.83Å; L323-V325 HydrophobicContact CD2-CG2 4.33Å; L323-V325 HydrophobicContact CG-CG2 4.39Å; L323-V325 PolarHBondContact O-N 3.27Å |
| 324 | Y | 92.5 | Very high | 83.3 | Confident | 115 Ų | 115 | 64.9 Ų | 64.9 | 45% | 0.451 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.3 | 172.6 | -70.9 | -83.1 | 0 | 0 | 0 | 109.8 | Q214 R215 F216 V253 V292 | Q214-Y324 PolarHBondContact O-N 2.86Å; R215-Y324 CarbonylContact C-O 3.52Å; R215-Y324 VanDerWaalsContact CA-O 3.23Å; R215-Y324 WeakPolarHBondContact CA-O 3.46Å; R215-Y324 WeakPolarHBondContact CG-O 3.4Å; F216-Y324 PolarHBondContact N-O 3.08Å; V253-Y324 HydrophobicContact CG2-CD1 3.93Å; V253-Y324 HydrophobicContact CG2-CE1 4.14Å; V292-Y324 HydrophobicContact CG2-CD1 3.92Å; V292-Y324 HydrophobicContact CG2-CE1 3.76Å |
| 325 | V | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108 | 178.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | F216 I218 I232 L291 L293 L323 I327 | F216-V325 WeakPolarHBondContact O-CA 3.26Å; I218-V325 HydrophobicContact CD1-CG1 3.57Å; I218-V325 HydrophobicContact CG1-CG1 4.09Å; I232-V325 HydrophobicContact CD1-CG2 4.46Å; L291-V325 HydrophobicContact CB-CB 4.46Å; L291-V325 PolarHBondContact N-O 2.96Å; L291-V325 PolarHBondContact O-N 2.79Å; L293-V325 HydrophobicContact CB-CG2 4.04Å; L323-V325 HydrophobicContact CD2-CG2 4.33Å; L323-V325 HydrophobicContact CG-CG2 4.39Å; L323-V325 PolarHBondContact O-N 3.27Å; V325-I327 HydrophobicContact CG1-CG1 4.05Å |
| 326 | D | 91.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.5 | 167.4 | -61.8 | -48.8 | 0 | 0 | 0 | 109.4 | R215 F216 R217 I218 F328 | R215-D326 IonicContact CZ-OD1 2.73Å; R215-D326 IonicContact CZ-OD2 2.63Å; R215-D326 IonicContact NE-OD1 3.77Å; R215-D326 IonicContact NE-OD2 2.66Å; R215-D326 PolarHBondContact NE-OD2 3.15Å; R215-D326 VanDerWaalsContact NH2-CG 3.26Å; R215-D326 IonicContact NH2-OD1 2.63Å; R215-D326 PolarHBondContact NH2-OD1 2.87Å; R215-D326 IonicContact NH2-OD2 3.77Å; R215-D326 PolarHBondContact NH2-OD2 3.24Å; F216-D326 PolarHBondContact O-N 2.91Å; R217-D326 WeakPolarHBondContact CA-O 3.32Å; I218-D326 PolarHBondContact N-O 2.81Å; D326-F328 HydrophobicContact CB-CD2 4.27Å; D326-F328 HydrophobicContact CB-CE2 3.59Å; D326-F328 HydrophobicContact CB-CZ 4.4Å |
| 327 | I | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.3 | 174.9 | -48.5 | 166.7 | 0 | 0 | 0 | 107.5 | I218 F220 F263 L275 Q288 Y289 L291 V325 | I218-I327 WeakPolarHBondContact O-CA 3.27Å; F220-I327 HydrophobicContact CD2-CG2 3.65Å; F220-I327 HydrophobicContact CE2-CG2 4.19Å; F263-I327 HydrophobicContact CD1-CD1 4.44Å; F263-I327 HydrophobicContact CD2-CD1 3.36Å; F263-I327 HydrophobicContact CE1-CG2 4.43Å; F263-I327 HydrophobicContact CE2-CB 4.37Å; F263-I327 HydrophobicContact CE2-CD1 3.43Å; F263-I327 VanDerWaalsContact CE2-CD1 3.43Å; F263-I327 HydrophobicContact CE2-CG1 4.49Å; F263-I327 HydrophobicContact CE2-CG2 4.03Å; F263-I327 HydrophobicContact CG-CD1 3.91Å; F263-I327 HydrophobicContact CZ-CD1 4.05Å; F263-I327 HydrophobicContact CZ-CG2 3.75Å; L275-I327 HydrophobicContact CD2-CD1 3.41Å; L275-I327 VanDerWaalsContact CD2-CD1 3.41Å; L275-I327 HydrophobicContact CD2-CG1 4.11Å; Q288-I327 CarbonylContact C-O 3.55Å; Q288-I327 VanDerWaalsContact CA-O 3.31Å; Q288-I327 WeakPolarHBondContact CA-O 3.44Å; Y289-I327 PolarHBondContact N-O 2.96Å; Y289-I327 PolarHBondContact O-N 2.67Å; L291-I327 HydrophobicContact CD1-CD1 3.66Å; L291-I327 HydrophobicContact CG-CD1 4.19Å; V325-I327 HydrophobicContact CG1-CG1 4.05Å |
| 328 | F | 92.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.6 | 173.1 | -66.5 | -97 | 0 | 0 | 0 | 108.4 | R217 I218 T219 F220 D326 | R217-F328 HydrophobicContact CG-CD2 3.88Å; R217-F328 HydrophobicContact CG-CE2 3.95Å; R217-F328 VanDerWaalsContact NE-CD2 3.26Å; R217-F328 VanDerWaalsContact NH2-CE2 3.3Å; I218-F328 PolarHBondContact O-N 3.34Å; T219-F328 VanDerWaalsContact CA-O 3.3Å; T219-F328 WeakPolarHBondContact CA-O 3.26Å; T219-F328 HydrophobicContact CG2-CB 4.29Å; F220-F328 PolarHBondContact N-O 2.87Å; D326-F328 HydrophobicContact CB-CD2 4.27Å; D326-F328 HydrophobicContact CB-CE2 3.59Å; D326-F328 HydrophobicContact CB-CZ 4.4Å |
| 329 | I | 93 | Very high | 92.1 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.3 | 174.7 | -66.1 | 157.5 | 0 | 0 | 0 | 107.5 | F220 D222 I281 R283 Q286 S287 Y289 | F220-I329 HydrophobicContact CB-CG1 4.26Å; F220-I329 WeakPolarHBondContact O-CA 3.49Å; D222-I329 HydrophobicContact CB-CG2 4.27Å; I281-I329 HydrophobicContact CG2-CB 4.35Å; I281-I329 HydrophobicContact CG2-CD1 3.53Å; I281-I329 HydrophobicContact CG2-CG1 3.67Å; I281-I329 HydrophobicContact CG2-CG2 3.71Å; R283-I329 HydrophobicContact CB-CB 4.41Å; R283-I329 HydrophobicContact CB-CG2 3.69Å; R283-I329 HydrophobicContact CG-CB 4.07Å; R283-I329 HydrophobicContact CG-CG2 3.82Å; Q286-I329 VanDerWaalsContact O-CD1 3.23Å; Q286-I329 WeakPolarHBondContact O-CD1 3.38Å; S287-I329 PolarHBondContact O-N 3.35Å; S287-I329 VanDerWaalsContact O-N 3.17Å; Y289-I329 HydrophobicContact CD2-CD1 4.02Å; Y289-I329 HydrophobicContact CE2-CD1 3.75Å |
| 330 | E | 91.9 | Very high | 92.3 | Very high | 94 Ų | 94 | 46 Ų | 46 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.8 | -180 | -70.1 | 176.7 | -161 | 0 | 0 | 109.6 | T219 F220 L221 D222 | T219-E330 WeakPolarHBondContact CB-OE1 3.47Å; T219-E330 HydrophobicContact CG2-CG 4.44Å; T219-E330 WeakPolarHBondContact CG2-OE1 3.41Å; T219-E330 PolarHBondContact OG1-OE1 3.5Å; F220-E330 PolarHBondContact O-N 3.27Å; L221-E330 HydrophobicContact CD2-CB 4.03Å; D222-E330 PolarHBondContact N-O 3.45Å |
| 331 | D | 92.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | trans | -57 | 139.9 | -176.1 | -174 | 80.3 | 0 | 0 | 0 | 114.1 | R283 S370 N373 | R283-D331 IonicContact CZ-OD1 2.68Å; R283-D331 IonicContact NE-OD1 2.99Å; R283-D331 PolarHBondContact NE-OD1 2.86Å; R283-D331 IonicContact NH2-OD1 3.23Å; R283-D331 PolarHBondContact NH2-OD1 2.79Å; D331-S370 VanDerWaalsContact CG-N 3.32Å; D331-S370 WeakPolarHBondContact OD1-CB 3.43Å; D331-S370 PolarHBondContact OD1-N 3.2Å; D331-S370 PolarHBondContact OD2-N 2.62Å; D331-S370 VanDerWaalsContact OD2-O 3.1Å; D331-N373 WeakPolarHBondContact OD2-CB 3.48Å; D331-N373 PolarHBondContact OD2-ND2 3.33Å | ||
| 332 | V | 90.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 38% | 0.376 | 27% | 0.267 | S | S | . | . | trans | -123.4 | 148.6 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | D222 D334 | D222-V332 HydrophobicContact CB-CB 3.95Å; D222-V332 HydrophobicContact CB-CG2 3.74Å; V332-D334 VanDerWaalsContact C-N 3.26Å; V332-D334 PolarHBondContact O-N 2.85Å | ||
| 333 | N | 92.2 | Very high | 92.4 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -74.3 | 82.9 | 174.4 | -170.7 | -46.2 | 0 | 0 | 0 | 110.2 | N335 D369 N373 D465 A467 Y471 R473 | N333-N335 PolarHBondContact OD1-O 3.04Å; N333-D369 VanDerWaalsContact CA-OD2 3.22Å; N333-D369 WeakPolarHBondContact CA-OD2 3.29Å; N333-N373 HydrophobicContact CB-CB 4.06Å; N333-D465 VanDerWaalsContact ND2-CG 3.3Å; N333-D465 PolarHBondContact ND2-OD1 3.12Å; N333-D465 PolarHBondContact ND2-OD2 2.84Å; N333-A467 WeakPolarHBondContact ND2-CB 3.28Å; N333-Y471 PolarHBondContact ND2-O 2.85Å; N333-R473 PolarHBondContact O-NH1 3.18Å; N333-R473 WeakPolarHBondContact OD1-CD 3.41Å |
| 334 | D | 91.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | trans | -111.5 | -33.4 | -167.4 | 172.6 | -83.4 | 0 | 0 | 0 | 111.3 | V332 D369 R473 | V332-D334 VanDerWaalsContact C-N 3.26Å; V332-D334 PolarHBondContact O-N 2.85Å; D334-D369 PolarHBondContact N-OD2 2.84Å; D334-D369 VanDerWaalsContact N-OD2 3.1Å; D334-R473 PolarHBondContact O-NH1 2.81Å; D334-R473 PolarHBondContact O-NH2 2.96Å | ||
| 335 | N | 91.2 | Very high | 92.4 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -85.3 | -174.5 | 169.4 | -63.7 | -86.5 | 0 | 0 | 0 | 111.4 | N333 L368 D369 R473 | N333-N335 PolarHBondContact OD1-O 3.04Å; N335-L368 HydrophobicContact CB-CB 4.28Å; N335-D369 VanDerWaalsContact CB-OD1 3.25Å; N335-D369 WeakPolarHBondContact CB-OD1 3.19Å; N335-D369 PolarHBondContact N-OD1 2.85Å; N335-D369 PolarHBondContact N-OD2 2.86Å; N335-D369 PolarHBondContact ND2-OD1 3.32Å; N335-R473 WeakPolarHBondContact O-CD 3.39Å; N335-R473 PolarHBondContact O-NE 2.92Å; N335-R473 PolarHBondContact O-NH1 2.9Å; N335-R473 PolarHBondContact O-NH2 3.42Å |
| 336 | T | 92.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | trans | -141.4 | 138 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 107.2 | Q338 R473 | T336-Q338 PolarHBondContact O-N 3.45Å; T336-R473 HydrophobicContact CG2-CB 4.18Å; T336-R473 PolarHBondContact OG1-NE 3.03Å; T336-R473 PolarHBondContact OG1-NH2 3.46Å | ||
| 337 | P | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -65.9 | 115.1 | 179.9 | 24.9 | -33.4 | 0 | 0 | 0 | 109.3 | D367 F376 V463 D465 S475 | P337-D367 WeakPolarHBondContact CA-OD2 3.06Å; P337-D367 HydrophobicContact CB-CB 4.38Å; P337-D367 WeakPolarHBondContact CB-OD2 3.33Å; P337-D367 WeakPolarHBondContact CD-OD2 3.41Å; P337-F376 HydrophobicContact CB-CB 4Å; P337-F376 HydrophobicContact CB-CD1 4.07Å; P337-F376 HydrophobicContact CB-CG 4.11Å; P337-F376 HydrophobicContact CG-CB 4.45Å; P337-V463 HydrophobicContact CB-CG1 4.03Å; P337-V463 HydrophobicContact CB-CG2 4Å; P337-V463 HydrophobicContact CG-CG1 4.35Å; P337-V463 WeakPolarHBondContact O-CG1 3.25Å; P337-D465 HydrophobicContact CG-CB 4.25Å; P337-S475 VanDerWaalsContact O-CB 3.31Å; P337-S475 WeakPolarHBondContact O-CB 3.37Å; P337-S475 PolarHBondContact O-OG 3.07Å | ||
| 338 | Q | 93.4 | Very high | 91.5 | Very high | 132 Ų | 132 | 63.1 Ų | 63.1 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.3 | -170.5 | -177.4 | 178.4 | -24.5 | 0 | 0 | 111.3 | T336 T340 A365 T366 | T336-Q338 PolarHBondContact O-N 3.45Å; Q338-T340 PolarHBondContact O-N 3.02Å; Q338-A365 CarbonylContact O-C 3.57Å; Q338-A365 WeakPolarHBondContact O-CA 3.41Å; Q338-A365 WeakPolarHBondContact O-CB 3.15Å; Q338-T366 PolarHBondContact N-O 2.83Å; Q338-T366 PolarHBondContact O-N 2.88Å |
| 339 | F | 94.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 5% | 0.053 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 134.8 | 169.8 | -76.8 | -81.9 | 0 | 0 | 0 | 112.5 | Q341 F344 L363 F378 A461 V463 S475 A477 | F339-Q341 PolarHBondContact O-N 2.85Å; F339-F344 HydrophobicContact CB-CE2 4.17Å; F339-F344 AromaticContact CD1-CE2 3.51Å; F339-F344 HydrophobicContact CD1-CE2 3.51Å; F339-F344 AromaticContact CD1-CZ 3.93Å; F339-F344 HydrophobicContact CD1-CZ 3.93Å; F339-F344 HydrophobicContact CE1-CE2 4.21Å; F339-F344 HydrophobicContact CG-CE2 4.17Å; F339-L363 HydrophobicContact CE1-CB 4.22Å; F339-L363 HydrophobicContact CE1-CD1 4.21Å; F339-L363 HydrophobicContact CE1-CD2 4.43Å; F339-F378 AromaticContact CD1-CE1 3.96Å; F339-F378 HydrophobicContact CD1-CE1 3.96Å; F339-F378 AromaticContact CE1-CD1 3.58Å; F339-F378 HydrophobicContact CE1-CD1 3.58Å; F339-F378 AromaticContact CE1-CE1 3.44Å; F339-F378 HydrophobicContact CE1-CE1 3.44Å; F339-F378 VanDerWaalsContact CE1-CE1 3.44Å; F339-F378 AromaticContact CZ-CD1 3.9Å; F339-F378 HydrophobicContact CZ-CD1 3.9Å; F339-F378 HydrophobicContact CZ-CE1 4.1Å; F339-A461 HydrophobicContact CE1-CB 4.48Å; F339-A461 WeakPolarHBondContact CE2-O 3.42Å; F339-A461 HydrophobicContact CZ-CB 3.98Å; F339-V463 HydrophobicContact CD2-CG1 3.79Å; F339-V463 HydrophobicContact CE2-CB 3.97Å; F339-V463 HydrophobicContact CE2-CG1 3.65Å; F339-V463 HydrophobicContact CG-CG1 4.39Å; F339-V463 HydrophobicContact CZ-CB 3.98Å; F339-V463 HydrophobicContact CZ-CG1 4.15Å; F339-S475 WeakPolarHBondContact CD2-OG 3.43Å; F339-S475 WeakPolarHBondContact CE2-O 3.39Å; F339-S475 PolarHBondContact N-OG 3.07Å; F339-A477 HydrophobicContact CB-CB 4.03Å; F339-A477 HydrophobicContact CD1-CB 3.79Å; F339-A477 HydrophobicContact CD2-CB 3.56Å; F339-A477 HydrophobicContact CE1-CB 4.01Å; F339-A477 HydrophobicContact CE2-CB 3.81Å; F339-A477 HydrophobicContact CG-CB 3.54Å; F339-A477 HydrophobicContact CZ-CB 4.03Å |
| 340 | T | 92.9 | Very high | 91 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -66.4 | -17.5 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | Q338 N364 T366 | Q338-T340 PolarHBondContact O-N 3.02Å; T340-N364 HydrophobicContact CG2-CB 4.38Å; T340-N364 PolarHBondContact N-O 3.05Å; T340-N364 PolarHBondContact OG1-O 2.87Å; T340-T366 HydrophobicContact CG2-CG2 4.32Å |
| 341 | Q | 90.5 | Very high | 90.8 | Very high | 110 Ų | 110 | 59.9 Ų | 59.9 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | trans | -143.5 | 144.4 | 175.3 | -59.3 | -175.5 | 42 | 0 | 0 | 109.8 | F339 I343 F344 | F339-Q341 PolarHBondContact O-N 2.85Å; Q341-I343 VanDerWaalsContact C-N 3.32Å; Q341-F344 HydrophobicContact CB-CE1 4.34Å; Q341-F344 HydrophobicContact CB-CE2 4.17Å; Q341-F344 HydrophobicContact CB-CZ 4.05Å; Q341-F344 WeakPolarHBondContact O-CE2 3.27Å | ||
| 342 | P | 92 | Very high | 90.4 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 68% | 0.675 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -78.1 | -17.6 | 179.1 | 31.9 | -35.9 | 0 | 0 | 0 | 113.6 | T478 | P342-T478 PolarHBondContact O-N 3.48Å; P342-T478 PolarHBondContact O-OG1 2.8Å |
| 343 | I | 93.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 125.3 | 177.6 | -53.6 | 180 | 0 | 0 | 0 | 107.2 | Q341 T478 I480 | Q341-I343 VanDerWaalsContact C-N 3.32Å; I343-T478 CarbonylContact C-O 3.47Å; I343-T478 WeakPolarHBondContact CA-O 3.4Å; I343-I480 HydrophobicContact CG2-CD1 3.85Å; I343-I480 HydrophobicContact CG2-CG1 4.22Å |
| 344 | F | 94.2 | Very high | 90 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.6 | 168.1 | -65.4 | -100.8 | 0 | 0 | 0 | 108.7 | F339 Q341 L361 L363 A477 T478 V479 I480 | F339-F344 HydrophobicContact CB-CE2 4.17Å; F339-F344 AromaticContact CD1-CE2 3.51Å; F339-F344 HydrophobicContact CD1-CE2 3.51Å; F339-F344 AromaticContact CD1-CZ 3.93Å; F339-F344 HydrophobicContact CD1-CZ 3.93Å; F339-F344 HydrophobicContact CE1-CE2 4.21Å; F339-F344 HydrophobicContact CG-CE2 4.17Å; Q341-F344 HydrophobicContact CB-CE1 4.34Å; Q341-F344 HydrophobicContact CB-CE2 4.17Å; Q341-F344 HydrophobicContact CB-CZ 4.05Å; Q341-F344 WeakPolarHBondContact O-CE2 3.27Å; F344-L361 HydrophobicContact CB-CD2 3.87Å; F344-L361 HydrophobicContact CB-CG 4.43Å; F344-L363 HydrophobicContact CB-CD2 3.96Å; F344-L363 HydrophobicContact CD1-CD2 3.98Å; F344-L363 HydrophobicContact CD2-CD2 3.63Å; F344-L363 HydrophobicContact CE1-CD2 4.4Å; F344-L363 HydrophobicContact CE2-CD2 4.09Å; F344-L363 HydrophobicContact CG-CD2 3.59Å; F344-L363 HydrophobicContact CZ-CD2 4.46Å; F344-A477 HydrophobicContact CD2-CB 4.02Å; F344-A477 HydrophobicContact CE2-CB 3.91Å; F344-T478 PolarHBondContact N-O 3.11Å; F344-V479 WeakPolarHBondContact O-CA 3.2Å; F344-I480 PolarHBondContact O-N 3.13Å |
| 345 | T | 91.8 | Very high | 89.9 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.2 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 110 | L361 I480 | T345-L361 WeakPolarHBondContact O-CD1 3.47Å; T345-I480 WeakPolarHBondContact CA-O 3.37Å |
| 346 | T | 87 | Confident | 89.8 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | trans | -63.6 | 146.4 | 166.7 | 59 | 0 | 0 | 0 | 0 | 110 | M348 I480 I481 | T346-M348 WeakPolarHBondContact CB-O 3.01Å; T346-M348 PolarHBondContact OG1-O 3.24Å; T346-I480 PolarHBondContact N-O 3.25Å; T346-I481 HydrophobicContact CG2-CB 4.48Å; T346-I481 HydrophobicContact CG2-CG1 4.35Å; T346-I481 HydrophobicContact CG2-CG2 4.1Å | ||
| 347 | S | 84 | Confident | 89.7 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 87% | 0.874 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.1 | -22.9 | -177.4 | 51 | 0 | 0 | 0 | 0 | 113.5 | ||
| 348 | M | 84.7 | Confident | 89.4 | Confident | 139 Ų | 139 | 62.9 Ų | 62.9 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -135.5 | 163.3 | 167.4 | -61.1 | -69.5 | -77.6 | 0 | 0 | 106.8 | T346 | T346-M348 WeakPolarHBondContact CB-O 3.01Å; T346-M348 PolarHBondContact OG1-O 3.24Å |
| 349 | P | 85.4 | Confident | 89.4 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | trans | -56.7 | 155.7 | 160.4 | -22.3 | 34.6 | 0 | 0 | 0 | 111.8 | N454 L482 T484 | P349-N454 VanDerWaalsContact CB-OD1 3.27Å; P349-N454 WeakPolarHBondContact CB-OD1 3.43Å; P349-N454 WeakPolarHBondContact CG-OD1 3.28Å; P349-L482 CarbonylContact C-O 3.39Å; P349-L482 VanDerWaalsContact CA-O 3.31Å; P349-L482 WeakPolarHBondContact CA-O 3.41Å; P349-L482 HydrophobicContact CB-CB 4.19Å; P349-L482 HydrophobicContact CG-CB 4.34Å; P349-T484 HydrophobicContact CB-CG2 3.74Å; P349-T484 HydrophobicContact CG-CG2 4.3Å | ||
| 350 | I | 90.4 | Very high | 89.3 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.9 | 170.4 | 64.9 | 177.8 | 0 | 0 | 0 | 109.3 | V360 F397 L411 I481 L482 V483 T484 | I350-V360 HydrophobicContact CD1-CB 4.05Å; I350-V360 HydrophobicContact CD1-CG1 3.57Å; I350-V360 HydrophobicContact CG2-CB 4.42Å; I350-V360 HydrophobicContact CG2-CG1 4.33Å; I350-F397 HydrophobicContact CD1-CE1 4.18Å; I350-F397 HydrophobicContact CD1-CZ 4.44Å; I350-L411 HydrophobicContact CD1-CD1 3.8Å; I350-L411 HydrophobicContact CG1-CD1 4.26Å; I350-I481 HydrophobicContact CD1-CG2 3.72Å; I350-I481 HydrophobicContact CG1-CG2 4.21Å; I350-L482 PolarHBondContact N-O 2.82Å; I350-V483 HydrophobicContact CD1-CG2 4.18Å; I350-V483 HydrophobicContact CG1-CB 4.45Å; I350-V483 HydrophobicContact CG1-CG2 3.89Å; I350-V483 CarbonylContact O-C 3.5Å; I350-V483 WeakPolarHBondContact O-CA 3.18Å; I350-V483 WeakPolarHBondContact O-CG1 3.36Å; I350-T484 PolarHBondContact O-N 2.82Å; I350-T484 PolarHBondContact O-OG1 2.66Å |
| 351 | A | 86.4 | Confident | 89.4 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T353 T354 T484 E486 | A351-T353 PolarHBondContact O-N 3.09Å; A351-T354 WeakPolarHBondContact O-CB 3.4Å; A351-T354 PolarHBondContact O-N 2.94Å; A351-T354 PolarHBondContact O-OG1 2.82Å; A351-T484 WeakPolarHBondContact CA-OG1 3.35Å; A351-E486 HydrophobicContact CB-CG 3.73Å; A351-E486 WeakPolarHBondContact CB-OE1 3.49Å |
| 352 | E | 84.9 | Confident | 89.5 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.019 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -29.6 | 176.5 | 74.5 | -164.1 | 105.5 | 0 | 0 | 113.2 | T354 L411 N412 V413 V483 T484 D485 E486 | E352-T354 PolarHBondContact O-N 2.83Å; E352-L411 HydrophobicContact CB-CB 3.84Å; E352-L411 WeakPolarHBondContact O-CB 3.14Å; E352-N412 WeakPolarHBondContact OE2-CA 2.96Å; E352-V413 HydrophobicContact CB-CG2 3.96Å; E352-V413 WeakPolarHBondContact OE2-CG2 3.49Å; E352-V413 PolarHBondContact OE2-N 3.34Å; E352-V483 HydrophobicContact CB-CG1 3.84Å; E352-T484 PolarHBondContact N-O 2.87Å; E352-T484 VanDerWaalsContact N-O 3.16Å; E352-D485 VanDerWaalsContact OE1-CA 3.26Å; E352-D485 WeakPolarHBondContact OE1-CA 3.4Å; E352-E486 PolarHBondContact OE1-N 3.21Å |
| 353 | T | 85.5 | Confident | 89.7 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 0.6 | 170.2 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | A351 P355 E486 D488 | A351-T353 PolarHBondContact O-N 3.09Å; T353-P355 WeakPolarHBondContact O-CD 3.46Å; T353-E486 HydrophobicContact CG2-CB 4.34Å; T353-E486 HydrophobicContact CG2-CG 4.45Å; T353-D488 WeakPolarHBondContact CG2-OD2 3.45Å |
| 354 | T | 89 | Confident | 89.7 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 119.3 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | A351 E352 A358 V360 V407 | A351-T354 WeakPolarHBondContact O-CB 3.4Å; A351-T354 PolarHBondContact O-N 2.94Å; A351-T354 PolarHBondContact O-OG1 2.82Å; E352-T354 PolarHBondContact O-N 2.83Å; T354-A358 HydrophobicContact CG2-CB 3.74Å; T354-V360 HydrophobicContact CG2-CG1 4.18Å; T354-V407 HydrophobicContact CG2-CG2 3.74Å |
| 355 | P | 89.3 | Confident | 89.7 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 142.9 | -173.2 | -28 | 35.9 | 0 | 0 | 0 | 115.3 | T353 G357 A358 | T353-P355 WeakPolarHBondContact O-CD 3.46Å; P355-G357 PolarHBondContact O-N 2.78Å; P355-A358 WeakPolarHBondContact O-CB 3.48Å; P355-A358 PolarHBondContact O-N 2.98Å |
| 356 | V | 89.6 | Confident | 89.8 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 129.7 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | K408 P410 | V356-K408 WeakPolarHBondContact CG1-O 3.21Å; V356-P410 HydrophobicContact CG2-CG 4.06Å |
| 357 | G | 89.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -9.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | P355 V407 | P355-G357 PolarHBondContact O-N 2.78Å; G357-V407 PolarHBondContact N-O 3.13Å |
| 358 | A | 90 | Very high | 90.6 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | trans | -61.8 | 140.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T354 P355 I406 V407 | T354-A358 HydrophobicContact CG2-CB 3.74Å; P355-A358 WeakPolarHBondContact O-CB 3.48Å; P355-A358 PolarHBondContact O-N 2.98Å; A358-I406 WeakPolarHBondContact O-CA 3.39Å; A358-I406 WeakPolarHBondContact O-CB 3.37Å; A358-V407 PolarHBondContact O-N 3.09Å | ||
| 359 | T | 93.5 | Very high | 91.1 | Very high | 66 Ų | 66 | 47 Ų | 47 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.8 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | Q404 I405 | T359-Q404 HydrophobicContact CG2-CB 3.82Å; T359-Q404 HydrophobicContact CG2-CG 3.93Å; T359-I405 CarbonylContact C-O 2.75Å; T359-I405 WeakPolarHBondContact CA-O 3.03Å |
| 360 | V | 92.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -24.9 | -173.5 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | I350 T354 F397 I405 V407 I481 | I350-V360 HydrophobicContact CD1-CB 4.05Å; I350-V360 HydrophobicContact CD1-CG1 3.57Å; I350-V360 HydrophobicContact CG2-CB 4.42Å; I350-V360 HydrophobicContact CG2-CG1 4.33Å; T354-V360 HydrophobicContact CG2-CG1 4.18Å; V360-F397 HydrophobicContact CG2-CD1 4.23Å; V360-F397 HydrophobicContact CG2-CE1 4.19Å; V360-I405 HydrophobicContact CG2-CB 4.34Å; V360-I405 HydrophobicContact CG2-CG2 4.15Å; V360-I405 PolarHBondContact N-O 2.99Å; V360-V407 HydrophobicContact CG1-CG2 3.7Å; V360-I481 HydrophobicContact CG2-CD1 4.01Å |
| 361 | L | 93.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.5 | 179.8 | -166.1 | 55.2 | 0 | 0 | 0 | 110 | F344 T345 I405 V479 | F344-L361 HydrophobicContact CB-CD2 3.87Å; F344-L361 HydrophobicContact CB-CG 4.43Å; T345-L361 WeakPolarHBondContact O-CD1 3.47Å; L361-I405 HydrophobicContact CB-CB 4.25Å; L361-I405 HydrophobicContact CB-CD1 4.26Å; L361-I405 HydrophobicContact CB-CG1 4.37Å; L361-I405 HydrophobicContact CD2-CD1 4.24Å; L361-I405 PolarHBondContact O-N 2.78Å; L361-V479 HydrophobicContact CD2-CG1 3.79Å |
| 362 | L | 94 | Very high | 91.6 | Very high | 106 Ų | 106 | 52 Ų | 52 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.3 | 175.5 | 179.8 | 62.7 | 0 | 0 | 0 | 109.3 | Q404 | L362-Q404 HydrophobicContact CD1-CG 3.93Å |
| 363 | L | 94.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | trans | -75.4 | 147.4 | 170.1 | -58.4 | 177.1 | 0 | 0 | 0 | 109.9 | F339 F344 F378 I399 G403 I405 A461 V479 | F339-L363 HydrophobicContact CE1-CB 4.22Å; F339-L363 HydrophobicContact CE1-CD1 4.21Å; F339-L363 HydrophobicContact CE1-CD2 4.43Å; F344-L363 HydrophobicContact CB-CD2 3.96Å; F344-L363 HydrophobicContact CD1-CD2 3.98Å; F344-L363 HydrophobicContact CD2-CD2 3.63Å; F344-L363 HydrophobicContact CE1-CD2 4.4Å; F344-L363 HydrophobicContact CE2-CD2 4.09Å; F344-L363 HydrophobicContact CG-CD2 3.59Å; F344-L363 HydrophobicContact CZ-CD2 4.46Å; L363-F378 HydrophobicContact CB-CD1 3.85Å; L363-F378 HydrophobicContact CB-CE1 3.82Å; L363-F378 HydrophobicContact CB-CG 4.37Å; L363-F378 HydrophobicContact CB-CZ 4.3Å; L363-F378 HydrophobicContact CD1-CB 4.39Å; L363-F378 HydrophobicContact CD1-CD1 4Å; L363-F378 HydrophobicContact CD1-CG 4.41Å; L363-I399 HydrophobicContact CD1-CG2 4.11Å; L363-G403 WeakPolarHBondContact CB-O 3.2Å; L363-G403 PolarHBondContact N-O 3.46Å; L363-I405 HydrophobicContact CD1-CD1 4.08Å; L363-I405 HydrophobicContact CD1-CG1 4.19Å; L363-I405 HydrophobicContact CD2-CD1 4.08Å; L363-I405 HydrophobicContact CG-CD1 3.99Å; L363-I405 HydrophobicContact CG-CG1 4.09Å; L363-A461 HydrophobicContact CD1-CB 3.66Å; L363-V479 HydrophobicContact CD2-CG2 3.98Å | ||
| 364 | N | 93.7 | Very high | 92.1 | Very high | 90 Ų | 90 | 50 Ų | 50 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | trans | -143.1 | 138.4 | 176.5 | -170.1 | 29.5 | 0 | 0 | 0 | 111 | T340 | T340-N364 HydrophobicContact CG2-CB 4.38Å; T340-N364 PolarHBondContact N-O 3.05Å; T340-N364 PolarHBondContact OG1-O 2.87Å | ||
| 365 | A | 94.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q338 F376 F378 V463 | Q338-A365 CarbonylContact O-C 3.57Å; Q338-A365 WeakPolarHBondContact O-CA 3.41Å; Q338-A365 WeakPolarHBondContact O-CB 3.15Å; A365-F376 HydrophobicContact CB-CE2 4Å; A365-F376 HydrophobicContact CB-CZ 4.15Å; A365-F376 WeakPolarHBondContact O-CZ 3.5Å; A365-F378 HydrophobicContact CB-CE1 3.79Å; A365-F378 HydrophobicContact CB-CZ 3.67Å; A365-V463 HydrophobicContact CB-CB 4.44Å; A365-V463 HydrophobicContact CB-CG1 4.19Å; A365-V463 HydrophobicContact CB-CG2 4.08Å |
| 366 | T | 94.2 | Very high | 92.5 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.7 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | Q338 T340 | Q338-T366 PolarHBondContact N-O 2.83Å; Q338-T366 PolarHBondContact O-N 2.88Å; T340-T366 HydrophobicContact CG2-CG2 4.32Å |
| 367 | D | 94.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | trans | -120.7 | 157.4 | 162.2 | -148.2 | -46.7 | 0 | 0 | 0 | 108.4 | P337 D369 F376 | P337-D367 WeakPolarHBondContact CA-OD2 3.06Å; P337-D367 HydrophobicContact CB-CB 4.38Å; P337-D367 WeakPolarHBondContact CB-OD2 3.33Å; P337-D367 WeakPolarHBondContact CD-OD2 3.41Å; D367-D369 PolarHBondContact OD1-N 2.82Å; D367-D369 VanDerWaalsContact OD1-N 3.11Å; D367-F376 HydrophobicContact CB-CD1 3.96Å; D367-F376 HydrophobicContact CB-CE1 4.09Å | ||
| 368 | L | 93 | Very high | 93.1 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | trans | -109.4 | -20.2 | 177.6 | -56.3 | -179.7 | 0 | 0 | 0 | 112.1 | R283 E284 N335 | R283-L368 PolarHBondContact NH2-O 2.87Å; R283-L368 VanDerWaalsContact NH2-O 3.09Å; E284-L368 HydrophobicContact CG-CB 3.74Å; E284-L368 HydrophobicContact CG-CD1 4.22Å; N335-L368 HydrophobicContact CB-CB 4.28Å | ||
| 369 | D | 94 | Very high | 93.3 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -63.4 | 172.1 | 177.2 | -65.3 | -11.3 | 0 | 0 | 0 | 112 | N333 D334 N335 D367 N373 G374 | N333-D369 VanDerWaalsContact CA-OD2 3.22Å; N333-D369 WeakPolarHBondContact CA-OD2 3.29Å; D334-D369 PolarHBondContact N-OD2 2.84Å; D334-D369 VanDerWaalsContact N-OD2 3.1Å; N335-D369 VanDerWaalsContact CB-OD1 3.25Å; N335-D369 WeakPolarHBondContact CB-OD1 3.19Å; N335-D369 PolarHBondContact N-OD1 2.85Å; N335-D369 PolarHBondContact N-OD2 2.86Å; N335-D369 PolarHBondContact ND2-OD1 3.32Å; D367-D369 PolarHBondContact OD1-N 2.82Å; D367-D369 VanDerWaalsContact OD1-N 3.11Å; D369-N373 HydrophobicContact CB-CB 3.59Å; D369-G374 VanDerWaalsContact O-CA 3.25Å; D369-G374 WeakPolarHBondContact O-CA 3.44Å |
| 370 | S | 91.4 | Very high | 93.3 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | -117.9 | 161.8 | -174.1 | -76.4 | 0 | 0 | 0 | 0 | 114 | R283 D331 I372 N373 G374 | R283-S370 PolarHBondContact NH2-OG 3.23Å; D331-S370 VanDerWaalsContact CG-N 3.32Å; D331-S370 WeakPolarHBondContact OD1-CB 3.43Å; D331-S370 PolarHBondContact OD1-N 3.2Å; D331-S370 PolarHBondContact OD2-N 2.62Å; D331-S370 VanDerWaalsContact OD2-O 3.1Å; S370-I372 PolarHBondContact O-N 3.28Å; S370-N373 PolarHBondContact O-N 2.9Å; S370-G374 PolarHBondContact O-N 2.98Å | ||
| 371 | G | 90.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -122 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N373 I375 | G371-N373 VanDerWaalsContact C-N 3.34Å; G371-I375 VanDerWaalsContact O-CD1 3.22Å; G371-I375 WeakPolarHBondContact O-CD1 3.34Å; G371-I375 WeakPolarHBondContact O-CG1 3.48Å; G371-I375 PolarHBondContact O-N 3.48Å |
| 372 | I | 91 | Very high | 92.7 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 46% | 0.456 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.2 | 179.1 | 62.2 | 172.7 | 0 | 0 | 0 | 113.6 | S370 E466 A467 T468 | S370-I372 PolarHBondContact O-N 3.28Å; I372-E466 CarbonylContact O-C 3.6Å; I372-E466 PolarHBondContact O-N 2.95Å; I372-A467 PolarHBondContact O-N 2.74Å; I372-T468 HydrophobicContact CD1-CG2 4.13Å |
| 373 | N | 91.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -43.8 | 179.8 | -59.4 | -27.9 | 0 | 0 | 0 | 109.9 | D331 N333 D369 S370 G371 I375 D465 A467 | D331-N373 WeakPolarHBondContact OD2-CB 3.48Å; D331-N373 PolarHBondContact OD2-ND2 3.33Å; N333-N373 HydrophobicContact CB-CB 4.06Å; D369-N373 HydrophobicContact CB-CB 3.59Å; S370-N373 PolarHBondContact O-N 2.9Å; G371-N373 VanDerWaalsContact C-N 3.34Å; N373-I375 PolarHBondContact O-N 2.96Å; N373-D465 WeakPolarHBondContact O-CB 3.29Å; N373-A467 VanDerWaalsContact OD1-CB 3.23Å; N373-A467 WeakPolarHBondContact OD1-CB 3.3Å |
| 374 | G | 90.5 | Very high | 91.6 | Very high | 19 Ų | 19 | 51 Ų | 51 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -81.3 | -2.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116.7 | D369 S370 | D369-G374 VanDerWaalsContact O-CA 3.25Å; D369-G374 WeakPolarHBondContact O-CA 3.44Å; S370-G374 PolarHBondContact O-N 2.98Å |
| 375 | I | 92.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | trans | -95.3 | 128.8 | 172.9 | -70.3 | 168.5 | 0 | 0 | 0 | 108.2 | G371 N373 D465 E466 | G371-I375 VanDerWaalsContact O-CD1 3.22Å; G371-I375 WeakPolarHBondContact O-CD1 3.34Å; G371-I375 WeakPolarHBondContact O-CG1 3.48Å; G371-I375 PolarHBondContact O-N 3.48Å; N373-I375 PolarHBondContact O-N 2.96Å; I375-D465 CarbonylContact O-C 3.56Å; I375-D465 WeakPolarHBondContact O-CA 3.44Å; I375-E466 HydrophobicContact CG2-CB 4.45Å; I375-E466 HydrophobicContact CG2-CG 3.91Å; I375-E466 PolarHBondContact O-N 2.87Å | ||
| 376 | F | 94.5 | Very high | 89.8 | Confident | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161.7 | -176.5 | 54.5 | -100.3 | 0 | 0 | 0 | 112.7 | P337 A365 D367 F378 V463 E464 | P337-F376 HydrophobicContact CB-CB 4Å; P337-F376 HydrophobicContact CB-CD1 4.07Å; P337-F376 HydrophobicContact CB-CG 4.11Å; P337-F376 HydrophobicContact CG-CB 4.45Å; A365-F376 HydrophobicContact CB-CE2 4Å; A365-F376 HydrophobicContact CB-CZ 4.15Å; A365-F376 WeakPolarHBondContact O-CZ 3.5Å; D367-F376 HydrophobicContact CB-CD1 3.96Å; D367-F376 HydrophobicContact CB-CE1 4.09Å; F376-F378 HydrophobicContact CD2-CE2 4.14Å; F376-F378 HydrophobicContact CD2-CZ 4.32Å; F376-F378 AromaticContact CE2-CE2 3.78Å; F376-F378 HydrophobicContact CE2-CE2 3.78Å; F376-F378 AromaticContact CE2-CZ 3.83Å; F376-F378 HydrophobicContact CE2-CZ 3.83Å; F376-V463 HydrophobicContact CB-CG2 3.79Å; F376-V463 HydrophobicContact CD2-CG2 3.36Å; F376-V463 HydrophobicContact CE2-CG2 4.15Å; F376-V463 HydrophobicContact CG-CG2 3.73Å; F376-E464 CarbonylContact C-O 3.51Å; F376-E464 VanDerWaalsContact CA-O 3.29Å; F376-E464 WeakPolarHBondContact CA-O 3.5Å; F376-E464 WeakPolarHBondContact CB-O 3.48Å |
| 377 | H | 94.2 | Very high | 88.9 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.9 | 172.1 | 65.3 | -97.4 | 0 | 0 | 0 | 112.2 | P401 V463 E464 E466 | H377-P401 WeakPolarHBondContact CA-O 3.31Å; H377-P401 HydrophobicContact CB-CB 4.02Å; H377-V463 WeakPolarHBondContact O-CA 3.47Å; H377-E464 PolarHBondContact N-O 3.15Å; H377-E464 PolarHBondContact O-N 3.08Å; H377-E466 IonicContact CE1-OE1 3.13Å; H377-E466 IonicContact CG-OE1 2.88Å; H377-E466 IonicContact ND1-OE1 2.75Å; H377-E466 PolarHBondContact ND1-OE1 2.93Å |
| 378 | F | 96.3 | Very high | 87.6 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 144.7 | 172.8 | -60.6 | -88.9 | 0 | 0 | 0 | 111.9 | F339 L363 A365 F376 I399 P401 V462 V463 | F339-F378 AromaticContact CD1-CE1 3.96Å; F339-F378 HydrophobicContact CD1-CE1 3.96Å; F339-F378 AromaticContact CE1-CD1 3.58Å; F339-F378 HydrophobicContact CE1-CD1 3.58Å; F339-F378 AromaticContact CE1-CE1 3.44Å; F339-F378 HydrophobicContact CE1-CE1 3.44Å; F339-F378 VanDerWaalsContact CE1-CE1 3.44Å; F339-F378 AromaticContact CZ-CD1 3.9Å; F339-F378 HydrophobicContact CZ-CD1 3.9Å; F339-F378 HydrophobicContact CZ-CE1 4.1Å; L363-F378 HydrophobicContact CB-CD1 3.85Å; L363-F378 HydrophobicContact CB-CE1 3.82Å; L363-F378 HydrophobicContact CB-CG 4.37Å; L363-F378 HydrophobicContact CB-CZ 4.3Å; L363-F378 HydrophobicContact CD1-CB 4.39Å; L363-F378 HydrophobicContact CD1-CD1 4Å; L363-F378 HydrophobicContact CD1-CG 4.41Å; A365-F378 HydrophobicContact CB-CE1 3.79Å; A365-F378 HydrophobicContact CB-CZ 3.67Å; F376-F378 HydrophobicContact CD2-CE2 4.14Å; F376-F378 HydrophobicContact CD2-CZ 4.32Å; F376-F378 AromaticContact CE2-CE2 3.78Å; F376-F378 HydrophobicContact CE2-CE2 3.78Å; F376-F378 AromaticContact CE2-CZ 3.83Å; F376-F378 HydrophobicContact CE2-CZ 3.83Å; F378-I399 HydrophobicContact CB-CG2 3.8Å; F378-P401 WeakPolarHBondContact CD2-O 3.25Å; F378-P401 PolarHBondContact N-O 2.97Å; F378-P401 VanDerWaalsContact N-O 3.13Å; F378-V462 CarbonylContact C-O 3.57Å; F378-V462 WeakPolarHBondContact CA-O 3.14Å; F378-V463 HydrophobicContact CD1-CB 3.9Å; F378-V463 HydrophobicContact CD1-CG2 4.07Å; F378-V463 HydrophobicContact CE1-CB 3.93Å; F378-V463 HydrophobicContact CE1-CG2 3.93Å; F378-V463 HydrophobicContact CZ-CG2 4.3Å |
| 379 | S | 94.2 | Very high | 86.4 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 174.8 | 174 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | A461 V462 | S379-A461 CarbonylContact O-C 3.59Å; S379-A461 WeakPolarHBondContact O-CA 3.49Å; S379-V462 PolarHBondContact N-O 2.97Å; S379-V462 PolarHBondContact O-N 2.97Å |
| 380 | F | 93.6 | Very high | 85.8 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 144 | 171.5 | -72.1 | -90.3 | 0 | 0 | 0 | 111.6 | K382 A393 R394 F397 I399 F459 | F380-K382 PolarHBondContact O-N 3.01Å; F380-A393 HydrophobicContact CE1-CB 4.48Å; F380-R394 VanDerWaalsContact C-NH2 3.28Å; F380-R394 HydrophobicContact CB-CG 4.41Å; F380-R394 HydrophobicContact CD1-CG 3.85Å; F380-R394 HydrophobicContact CD2-CG 4.07Å; F380-R394 HydrophobicContact CE1-CG 3.92Å; F380-R394 HydrophobicContact CE2-CG 4.11Å; F380-R394 HydrophobicContact CG-CG 3.93Å; F380-R394 HydrophobicContact CZ-CG 4.04Å; F380-R394 PolarHBondContact O-NH2 2.63Å; F380-R394 VanDerWaalsContact O-NH2 3.11Å; F380-F397 HydrophobicContact CZ-CB 4.23Å; F380-F397 WeakPolarHBondContact CZ-O 3.41Å; F380-I399 HydrophobicContact CB-CD1 4.31Å; F380-I399 HydrophobicContact CD1-CD1 3.69Å; F380-I399 HydrophobicContact CD1-CG1 4.31Å; F380-I399 HydrophobicContact CD2-CB 4.36Å; F380-I399 HydrophobicContact CD2-CD1 3.86Å; F380-I399 HydrophobicContact CD2-CG1 3.84Å; F380-I399 HydrophobicContact CE1-CD1 4.02Å; F380-I399 HydrophobicContact CE1-CG1 4.24Å; F380-I399 HydrophobicContact CE2-CB 4.47Å; F380-I399 HydrophobicContact CE2-CD1 4.19Å; F380-I399 HydrophobicContact CE2-CG1 3.79Å; F380-I399 HydrophobicContact CG-CD1 3.6Å; F380-I399 HydrophobicContact CG-CG1 4.12Å; F380-I399 HydrophobicContact CZ-CD1 4.26Å; F380-I399 HydrophobicContact CZ-CG1 3.99Å; F380-F459 AromaticContact CD1-CD2 3.56Å; F380-F459 HydrophobicContact CD1-CD2 3.56Å; F380-F459 AromaticContact CD1-CE2 3.88Å; F380-F459 HydrophobicContact CD1-CE2 3.88Å; F380-F459 HydrophobicContact CD1-CG 4.3Å; F380-F459 AromaticContact CE1-CD2 3.45Å; F380-F459 HydrophobicContact CE1-CD2 3.45Å; F380-F459 VanDerWaalsContact CE1-CD2 3.45Å; F380-F459 AromaticContact CE1-CE2 3.48Å; F380-F459 HydrophobicContact CE1-CE2 3.48Å; F380-F459 VanDerWaalsContact CE1-CE2 3.48Å; F380-F459 HydrophobicContact CE1-CG 4.01Å; F380-F459 HydrophobicContact CE1-CZ 4.04Å; F380-F459 HydrophobicContact CZ-CE2 4.4Å |
| 381 | S | 90.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -60.7 | 115.2 | -174.7 | -176.3 | 0 | 0 | 0 | 0 | 115.3 | D383 H384 Y385 R394 R460 E476 | S381-D383 PolarHBondContact O-N 2.76Å; S381-D383 PolarHBondContact OG-N 3.38Å; S381-H384 PolarHBondContact O-N 2.81Å; S381-H384 VanDerWaalsContact O-N 3.12Å; S381-H384 PolarHBondContact OG-ND1 2.99Å; S381-Y385 PolarHBondContact O-N 2.86Å; S381-R394 PolarHBondContact O-NH2 3.44Å; S381-R460 VanDerWaalsContact CB-CB 3.46Å; S381-R460 PolarHBondContact N-O 3.07Å; S381-E476 WeakPolarHBondContact CB-OE1 3.45Å; S381-E476 PolarHBondContact OG-OE1 3.49Å | ||
| 382 | K | 84.6 | Confident | 84.6 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.6 | -30 | 176.8 | -62.5 | 154.9 | -167.3 | 161.3 | 0 | 111.3 | F380 E464 | F380-K382 PolarHBondContact O-N 3.01Å; K382-E464 IonicContact NZ-OE2 3.71Å; K382-E464 PolarHBondContact NZ-OE2 2.84Å |
| 383 | D | 82.8 | Confident | 84.4 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -86.7 | -2.4 | -177.5 | -61.9 | -22 | 0 | 0 | 0 | 114 | S381 W386 | S381-D383 PolarHBondContact O-N 2.76Å; S381-D383 PolarHBondContact OG-N 3.38Å; D383-W386 WeakPolarHBondContact O-CH2 3.38Å; D383-W386 WeakPolarHBondContact O-CZ2 3.35Å; D383-W386 WeakPolarHBondContact O-CZ3 3.23Å |
| 384 | H | 82.6 | Confident | 84.3 | Confident | 34 Ų | 34 | 59 Ų | 59 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -116.8 | 1.6 | 174.4 | -64.3 | 82 | 0 | 0 | 0 | 113 | S381 W386 Q387 E390 R460 E476 | S381-H384 PolarHBondContact O-N 2.81Å; S381-H384 VanDerWaalsContact O-N 3.12Å; S381-H384 PolarHBondContact OG-ND1 2.99Å; H384-W386 PolarHBondContact O-N 2.76Å; H384-Q387 WeakPolarHBondContact O-CB 3.37Å; H384-Q387 PolarHBondContact O-N 3.48Å; H384-E390 WeakPolarHBondContact CB-OE2 3.42Å; H384-R460 HydrophobicContact CB-CB 4.31Å; H384-R460 HydrophobicContact CB-CG 4.33Å; H384-R460 PolarHBondContact NE2-NE 3.36Å; H384-E476 IonicContact CE1-OE1 2.68Å; H384-E476 IonicContact CE1-OE2 3.48Å; H384-E476 PolarHBondContact CE1-OE2 2.85Å; H384-E476 VanDerWaalsContact CE1-OE2 3.23Å; H384-E476 IonicContact ND1-OE1 3.49Å; H384-E476 IonicContact ND1-OE2 2.61Å |
| 385 | Y | 76.5 | Confident | 84.1 | Confident | 138 Ų | 138 | 63 Ų | 63 | 54% | 0.541 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.5 | -176.8 | 176.1 | -94.9 | 0 | 0 | 0 | 115.3 | S381 | S381-Y385 PolarHBondContact O-N 2.86Š|
| 386 | W | 74.3 | Confident | 83.9 | Confident | 186 Ų | 186 | 59.2 Ų | 59.2 | 71% | 0.705 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.2 | -179.7 | 57.9 | 77.7 | 0 | 0 | 0 | 114.4 | D383 H384 | D383-W386 WeakPolarHBondContact O-CH2 3.38Å; D383-W386 WeakPolarHBondContact O-CZ2 3.35Å; D383-W386 WeakPolarHBondContact O-CZ3 3.23Å; H384-W386 PolarHBondContact O-N 2.76Å |
| 387 | Q | 73.9 | Confident | 83.9 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -69.4 | 134.6 | -179.9 | -66.1 | -171.8 | -29.7 | 0 | 0 | 110.8 | H384 A389 E390 K391 | H384-Q387 WeakPolarHBondContact O-CB 3.37Å; H384-Q387 PolarHBondContact O-N 3.48Å; Q387-A389 VanDerWaalsContact C-N 3.35Å; Q387-A389 PolarHBondContact O-N 2.76Å; Q387-E390 HydrophobicContact CB-CB 4.41Å; Q387-E390 PolarHBondContact O-N 3.07Å; Q387-K391 WeakPolarHBondContact O-CB 3.34Å; Q387-K391 PolarHBondContact O-N 3.36Å |
| 388 | P | 67.1 | Low | 83.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.2 | -47.8 | 179.6 | -29.6 | 36.4 | 0 | 0 | 0 | 113.6 | E390 K391 I392 L441 | P388-E390 PolarHBondContact O-N 3.5Å; P388-K391 PolarHBondContact O-N 3.23Å; P388-I392 WeakPolarHBondContact O-CB 3.47Å; P388-I392 WeakPolarHBondContact O-CG1 3.19Å; P388-I392 PolarHBondContact O-N 3.11Å; P388-L441 HydrophobicContact CB-CD2 3.65Å; P388-L441 HydrophobicContact CG-CD2 3.67Å |
| 389 | A | 68.3 | Low | 83.9 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q387 I392 A393 | Q387-A389 VanDerWaalsContact C-N 3.35Å; Q387-A389 PolarHBondContact O-N 2.76Å; A389-I392 PolarHBondContact O-N 3.11Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 2.87Å |
| 390 | E | 81.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.8 | -35.9 | 177.8 | -176.5 | 165.5 | 127.2 | 0 | 0 | 112.1 | H384 Q387 P388 I392 A393 R394 F459 R460 | H384-E390 WeakPolarHBondContact CB-OE2 3.42Å; Q387-E390 HydrophobicContact CB-CB 4.41Å; Q387-E390 PolarHBondContact O-N 3.07Å; P388-E390 PolarHBondContact O-N 3.5Å; E390-I392 VanDerWaalsContact C-N 3.25Å; E390-I392 PolarHBondContact O-N 3.2Å; E390-A393 PolarHBondContact O-N 3.31Å; E390-R394 HydrophobicContact CG-CG 4.09Å; E390-R394 WeakPolarHBondContact O-CB 3.23Å; E390-R394 WeakPolarHBondContact O-CD 3.3Å; E390-R394 WeakPolarHBondContact O-CG 3.36Å; E390-R394 PolarHBondContact O-N 3.08Å; E390-R394 IonicContact OE1-CZ 2.76Å; E390-R394 IonicContact OE1-NE 3.28Å; E390-R394 PolarHBondContact OE1-NE 3.42Å; E390-R394 IonicContact OE1-NH2 3.86Å; E390-R394 PolarHBondContact OE1-NH2 2.87Å; E390-F459 HydrophobicContact CB-CB 4.15Å; E390-F459 HydrophobicContact CG-CB 3.96Å; E390-R460 PolarHBondContact OE2-N 3.29Å |
| 391 | K | 77.3 | Confident | 83.8 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 172.9 | -174.5 | -178.5 | 176.1 | -172.4 | 0 | 111.7 | Q387 P388 H395 | Q387-K391 WeakPolarHBondContact O-CB 3.34Å; Q387-K391 PolarHBondContact O-N 3.36Å; P388-K391 PolarHBondContact O-N 3.23Å; K391-H395 PolarHBondContact O-N 3.37Å |
| 392 | I | 80.5 | Confident | 83.9 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.8 | -49.2 | 172.1 | -72 | 166.1 | 0 | 0 | 0 | 110.6 | P388 A389 E390 R394 H395 Y396 L416 F457 | P388-I392 WeakPolarHBondContact O-CB 3.47Å; P388-I392 WeakPolarHBondContact O-CG1 3.19Å; P388-I392 PolarHBondContact O-N 3.11Å; A389-I392 PolarHBondContact O-N 3.11Å; E390-I392 VanDerWaalsContact C-N 3.25Å; E390-I392 PolarHBondContact O-N 3.2Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 2.82Å; I392-H395 WeakPolarHBondContact O-CA 3Å; I392-H395 WeakPolarHBondContact O-CB 3.44Å; I392-H395 PolarHBondContact O-N 3.42Å; I392-Y396 HydrophobicContact CG2-CD2 4.13Å; I392-Y396 HydrophobicContact CG2-CE2 4.14Å; I392-Y396 WeakPolarHBondContact O-CD2 3.32Å; I392-Y396 PolarHBondContact O-N 3.49Å; I392-L416 HydrophobicContact CD1-CD2 4.18Å; I392-L416 HydrophobicContact CG2-CD2 3.72Å; I392-F457 HydrophobicContact CG2-CD1 4.1Å; I392-F457 HydrophobicContact CG2-CE1 3.75Å |
| 393 | A | 86.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F380 A389 E390 H395 Y396 F397 F459 | F380-A393 HydrophobicContact CE1-CB 4.48Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 2.87Å; E390-A393 PolarHBondContact O-N 3.31Å; A393-H395 PolarHBondContact O-N 2.76Å; A393-Y396 PolarHBondContact O-N 2.61Å; A393-F397 PolarHBondContact O-N 3.48Å; A393-F459 HydrophobicContact CB-CB 3.92Å; A393-F459 HydrophobicContact CB-CD1 3.36Å; A393-F459 HydrophobicContact CB-CE1 3.99Å; A393-F459 HydrophobicContact CB-CG 3.82Å |
| 394 | R | 88.5 | Confident | 85 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -12.5 | 173.8 | -70.7 | 167.1 | 173.5 | -90.4 | 6.5 | 113.8 | F380 S381 E390 I392 K408 | F380-R394 VanDerWaalsContact C-NH2 3.28Å; F380-R394 HydrophobicContact CB-CG 4.41Å; F380-R394 HydrophobicContact CD1-CG 3.85Å; F380-R394 HydrophobicContact CD2-CG 4.07Å; F380-R394 HydrophobicContact CE1-CG 3.92Å; F380-R394 HydrophobicContact CE2-CG 4.11Å; F380-R394 HydrophobicContact CG-CG 3.93Å; F380-R394 HydrophobicContact CZ-CG 4.04Å; F380-R394 PolarHBondContact O-NH2 2.63Å; F380-R394 VanDerWaalsContact O-NH2 3.11Å; S381-R394 PolarHBondContact O-NH2 3.44Å; E390-R394 HydrophobicContact CG-CG 4.09Å; E390-R394 WeakPolarHBondContact O-CB 3.23Å; E390-R394 WeakPolarHBondContact O-CD 3.3Å; E390-R394 WeakPolarHBondContact O-CG 3.36Å; E390-R394 PolarHBondContact O-N 3.08Å; E390-R394 IonicContact OE1-CZ 2.76Å; E390-R394 IonicContact OE1-NE 3.28Å; E390-R394 PolarHBondContact OE1-NE 3.42Å; E390-R394 IonicContact OE1-NH2 3.86Å; E390-R394 PolarHBondContact OE1-NH2 2.87Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 2.82Å; R394-K408 PolarHBondContact O-NZ 3.06Å |
| 395 | H | 85.8 | Confident | 85.5 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.4 | -54.5 | 170.7 | -163.2 | 11.8 | 0 | 0 | 0 | 109.6 | K391 I392 A393 K408 Q409 | K391-H395 PolarHBondContact O-N 3.37Å; I392-H395 WeakPolarHBondContact O-CA 3Å; I392-H395 WeakPolarHBondContact O-CB 3.44Å; I392-H395 PolarHBondContact O-N 3.42Å; A393-H395 PolarHBondContact O-N 2.76Å; H395-K408 WeakPolarHBondContact O-CD 3.13Å; H395-Q409 PolarHBondContact CD2-NE2 3.09Å; H395-Q409 PolarHBondContact CE1-NE2 3.26Å; H395-Q409 PolarHBondContact CE1-OE1 3.35Å; H395-Q409 VanDerWaalsContact CG-NE2 3.34Å; H395-Q409 VanDerWaalsContact ND1-CD 3.33Å; H395-Q409 PolarHBondContact ND1-NE2 2.76Å; H395-Q409 VanDerWaalsContact ND1-NE2 3.17Å; H395-Q409 PolarHBondContact ND1-OE1 2.93Å; H395-Q409 PolarHBondContact NE2-NE2 2.8Å; H395-Q409 WeakPolarHBondContact O-CG 3.31Å; H395-Q409 PolarHBondContact O-OE1 3.43Å |
| 396 | Y | 89.4 | Confident | 86.4 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 9% | 0.09 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -82.4 | -30 | -172.4 | -69.8 | -79.1 | 0 | 0 | 0 | 115.5 | I392 A393 K408 Q409 P410 L411 N412 L416 F457 | I392-Y396 HydrophobicContact CG2-CD2 4.13Å; I392-Y396 HydrophobicContact CG2-CE2 4.14Å; I392-Y396 WeakPolarHBondContact O-CD2 3.32Å; I392-Y396 PolarHBondContact O-N 3.49Å; A393-Y396 PolarHBondContact O-N 2.61Å; Y396-K408 WeakPolarHBondContact O-CB 3.13Å; Y396-K408 PolarHBondContact O-N 3.47Å; Y396-Q409 HydrophobicContact CD1-CG 4.11Å; Y396-P410 WeakPolarHBondContact CD1-O 3.38Å; Y396-P410 WeakPolarHBondContact CE1-O 3.01Å; Y396-L411 HydrophobicContact CD1-CD2 3.88Å; Y396-L411 HydrophobicContact CG-CD2 4.19Å; Y396-N412 PolarHBondContact OH-O 2.76Å; Y396-L416 HydrophobicContact CE2-CD1 4.04Å; Y396-L416 HydrophobicContact CE2-CD2 4.36Å; Y396-L416 HydrophobicContact CE2-CG 4.46Å; Y396-F457 AromaticContact CD2-CE1 3.78Å; Y396-F457 HydrophobicContact CD2-CE1 3.78Å; Y396-F457 HydrophobicContact CD2-CZ 4.32Å; Y396-F457 HydrophobicContact CE2-CE1 4.29Å; Y396-F457 HydrophobicContact CG-CE1 4.34Å |
| 397 | F | 94 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.7 | -175.6 | -57 | -77 | 0 | 0 | 0 | 112.7 | I350 V360 F380 A393 I405 I406 V407 K408 L411 F457 I481 V483 | I350-F397 HydrophobicContact CD1-CE1 4.18Å; I350-F397 HydrophobicContact CD1-CZ 4.44Å; V360-F397 HydrophobicContact CG2-CD1 4.23Å; V360-F397 HydrophobicContact CG2-CE1 4.19Å; F380-F397 HydrophobicContact CZ-CB 4.23Å; F380-F397 WeakPolarHBondContact CZ-O 3.41Å; A393-F397 PolarHBondContact O-N 3.48Å; F397-I405 HydrophobicContact CB-CG2 4.19Å; F397-I405 HydrophobicContact CD1-CG2 4.47Å; F397-I406 CarbonylContact C-O 3.31Å; F397-I406 VanDerWaalsContact CA-O 3.29Å; F397-I406 WeakPolarHBondContact CA-O 3.39Å; F397-V407 HydrophobicContact CE1-CG2 4.27Å; F397-K408 WeakPolarHBondContact O-CD 3.46Å; F397-L411 HydrophobicContact CE1-CD2 4Å; F397-L411 HydrophobicContact CE2-CD2 4.43Å; F397-L411 HydrophobicContact CZ-CD1 4.48Å; F397-L411 HydrophobicContact CZ-CD2 3.8Å; F397-F457 HydrophobicContact CE2-CB 4.16Å; F397-F457 AromaticContact CE2-CD1 3.9Å; F397-F457 HydrophobicContact CE2-CD1 3.9Å; F397-F457 HydrophobicContact CE2-CD2 4.08Å; F397-F457 HydrophobicContact CE2-CE1 4.28Å; F397-F457 HydrophobicContact CE2-CE2 4.48Å; F397-F457 AromaticContact CE2-CG 3.78Å; F397-F457 HydrophobicContact CE2-CG 3.78Å; F397-F457 HydrophobicContact CZ-CD2 4.46Å; F397-I481 HydrophobicContact CD1-CD1 3.81Å; F397-I481 HydrophobicContact CD2-CD1 4.11Å; F397-I481 HydrophobicContact CE1-CD1 3.73Å; F397-I481 HydrophobicContact CE1-CG2 4.2Å; F397-I481 HydrophobicContact CE2-CD1 4.04Å; F397-I481 HydrophobicContact CG-CD1 4.01Å; F397-I481 HydrophobicContact CZ-CB 4.32Å; F397-I481 HydrophobicContact CZ-CD1 3.86Å; F397-I481 HydrophobicContact CZ-CG2 3.82Å; F397-V483 HydrophobicContact CZ-CG2 4.43Å |
| 398 | D | 94.3 | Very high | 88.1 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.4 | 167.7 | -165.8 | 28.9 | 0 | 0 | 0 | 110.8 | I405 I406 K408 | D398-I405 CarbonylContact O-C 3.59Å; D398-I405 WeakPolarHBondContact O-CA 3.47Å; D398-I406 HydrophobicContact CB-CD1 4.22Å; D398-I406 HydrophobicContact CB-CG1 3.8Å; D398-I406 PolarHBondContact N-O 3.18Å; D398-I406 PolarHBondContact O-N 2.95Å; D398-K408 HydrophobicContact CB-CB 4.12Å; D398-K408 HydrophobicContact CB-CD 4.13Å; D398-K408 HydrophobicContact CB-CG 4.36Å |
| 399 | I | 95.3 | Very high | 89 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 109 | 176.5 | -56.4 | 178.5 | 0 | 0 | 0 | 107.7 | L363 F378 F380 I405 F459 A461 | L363-I399 HydrophobicContact CD1-CG2 4.11Å; F378-I399 HydrophobicContact CB-CG2 3.8Å; F380-I399 HydrophobicContact CB-CD1 4.31Å; F380-I399 HydrophobicContact CD1-CD1 3.69Å; F380-I399 HydrophobicContact CD1-CG1 4.31Å; F380-I399 HydrophobicContact CD2-CB 4.36Å; F380-I399 HydrophobicContact CD2-CD1 3.86Å; F380-I399 HydrophobicContact CD2-CG1 3.84Å; F380-I399 HydrophobicContact CE1-CD1 4.02Å; F380-I399 HydrophobicContact CE1-CG1 4.24Å; F380-I399 HydrophobicContact CE2-CB 4.47Å; F380-I399 HydrophobicContact CE2-CD1 4.19Å; F380-I399 HydrophobicContact CE2-CG1 3.79Å; F380-I399 HydrophobicContact CG-CD1 3.6Å; F380-I399 HydrophobicContact CG-CG1 4.12Å; F380-I399 HydrophobicContact CZ-CD1 4.26Å; F380-I399 HydrophobicContact CZ-CG1 3.99Å; I399-I405 HydrophobicContact CG1-CG1 4.26Å; I399-F459 HydrophobicContact CD1-CE2 3.98Å; I399-A461 HydrophobicContact CD1-CB 4.07Å |
| 400 | R | 93.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | trans | -69.2 | 149.9 | 174.7 | -67.3 | -175.7 | 178.7 | 150.8 | 6.1 | 110.4 | N402 G403 Q404 I406 | R400-N402 WeakPolarHBondContact CB-OD1 3.1Å; R400-N402 PolarHBondContact O-N 3.25Å; R400-G403 PolarHBondContact O-N 3.23Å; R400-Q404 HydrophobicContact CB-CB 4.24Å; R400-Q404 WeakPolarHBondContact CB-O 3.33Å; R400-Q404 HydrophobicContact CG-CB 4.46Å; R400-Q404 PolarHBondContact N-O 2.77Å; R400-I406 HydrophobicContact CG-CD1 4.41Å | ||
| 401 | P | 93.3 | Very high | 90 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -24.6 | 176.5 | -31.3 | 37.3 | 0 | 0 | 0 | 115.4 | H377 F378 G403 | H377-P401 WeakPolarHBondContact CA-O 3.31Å; H377-P401 HydrophobicContact CB-CB 4.02Å; F378-P401 WeakPolarHBondContact CD2-O 3.25Å; F378-P401 PolarHBondContact N-O 2.97Å; F378-P401 VanDerWaalsContact N-O 3.13Å; P401-G403 VanDerWaalsContact C-N 3.33Å |
| 402 | N | 92.4 | Very high | 90 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 11.2 | 177.1 | 71.4 | -15.1 | 0 | 0 | 0 | 114.6 | R400 Q404 | R400-N402 WeakPolarHBondContact CB-OD1 3.1Å; R400-N402 PolarHBondContact O-N 3.25Å; N402-Q404 VanDerWaalsContact C-N 3.32Å; N402-Q404 PolarHBondContact ND2-OE1 3.43Å; N402-Q404 VanDerWaalsContact ND2-OE1 3.07Å; N402-Q404 PolarHBondContact O-N 3.3Å; N402-Q404 WeakPolarHBondContact OD1-CB 3.14Å; N402-Q404 PolarHBondContact OD1-N 2.8Å |
| 403 | G | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 84.6 | -3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | L363 R400 P401 I405 | L363-G403 WeakPolarHBondContact CB-O 3.2Å; L363-G403 PolarHBondContact N-O 3.46Å; R400-G403 PolarHBondContact O-N 3.23Å; P401-G403 VanDerWaalsContact C-N 3.33Å; G403-I405 PolarHBondContact O-N 2.78Å |
| 404 | Q | 95.5 | Very high | 88.6 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 114.2 | 173.7 | -69.3 | -179.4 | -37.1 | 0 | 0 | 110.3 | T359 L362 R400 N402 I406 | T359-Q404 HydrophobicContact CG2-CB 3.82Å; T359-Q404 HydrophobicContact CG2-CG 3.93Å; L362-Q404 HydrophobicContact CD1-CG 3.93Å; R400-Q404 HydrophobicContact CB-CB 4.24Å; R400-Q404 WeakPolarHBondContact CB-O 3.33Å; R400-Q404 HydrophobicContact CG-CB 4.46Å; R400-Q404 PolarHBondContact N-O 2.77Å; N402-Q404 VanDerWaalsContact C-N 3.32Å; N402-Q404 PolarHBondContact ND2-OE1 3.43Å; N402-Q404 VanDerWaalsContact ND2-OE1 3.07Å; N402-Q404 PolarHBondContact O-N 3.3Å; N402-Q404 WeakPolarHBondContact OD1-CB 3.14Å; N402-Q404 PolarHBondContact OD1-N 2.8Å; Q404-I406 HydrophobicContact CB-CG2 4.47Å |
| 405 | I | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126 | 167.3 | -48.6 | -170.2 | 0 | 0 | 0 | 108 | T359 V360 L361 L363 F397 D398 I399 G403 F459 V479 I481 | T359-I405 CarbonylContact C-O 2.75Å; T359-I405 WeakPolarHBondContact CA-O 3.03Å; V360-I405 HydrophobicContact CG2-CB 4.34Å; V360-I405 HydrophobicContact CG2-CG2 4.15Å; V360-I405 PolarHBondContact N-O 2.99Å; L361-I405 HydrophobicContact CB-CB 4.25Å; L361-I405 HydrophobicContact CB-CD1 4.26Å; L361-I405 HydrophobicContact CB-CG1 4.37Å; L361-I405 HydrophobicContact CD2-CD1 4.24Å; L361-I405 PolarHBondContact O-N 2.78Å; L363-I405 HydrophobicContact CD1-CD1 4.08Å; L363-I405 HydrophobicContact CD1-CG1 4.19Å; L363-I405 HydrophobicContact CD2-CD1 4.08Å; L363-I405 HydrophobicContact CG-CD1 3.99Å; L363-I405 HydrophobicContact CG-CG1 4.09Å; F397-I405 HydrophobicContact CB-CG2 4.19Å; F397-I405 HydrophobicContact CD1-CG2 4.47Å; D398-I405 CarbonylContact O-C 3.59Å; D398-I405 WeakPolarHBondContact O-CA 3.47Å; I399-I405 HydrophobicContact CG1-CG1 4.26Å; G403-I405 PolarHBondContact O-N 2.78Å; I405-F459 HydrophobicContact CD1-CE2 4.29Å; I405-F459 HydrophobicContact CD1-CZ 4.14Å; I405-F459 HydrophobicContact CG2-CZ 4.43Å; I405-V479 HydrophobicContact CD1-CB 4.49Å; I405-V479 HydrophobicContact CD1-CG1 3.73Å; I405-V479 HydrophobicContact CD1-CG2 4.02Å; I405-I481 HydrophobicContact CG2-CD1 4.14Å |
| 406 | I | 94.6 | Very high | 86.3 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.8 | -177 | 64.8 | 169.9 | 0 | 0 | 0 | 112.5 | A358 F397 D398 R400 Q404 K408 | A358-I406 WeakPolarHBondContact O-CA 3.39Å; A358-I406 WeakPolarHBondContact O-CB 3.37Å; F397-I406 CarbonylContact C-O 3.31Å; F397-I406 VanDerWaalsContact CA-O 3.29Å; F397-I406 WeakPolarHBondContact CA-O 3.39Å; D398-I406 HydrophobicContact CB-CD1 4.22Å; D398-I406 HydrophobicContact CB-CG1 3.8Å; D398-I406 PolarHBondContact N-O 3.18Å; D398-I406 PolarHBondContact O-N 2.95Å; R400-I406 HydrophobicContact CG-CD1 4.41Å; Q404-I406 HydrophobicContact CB-CG2 4.47Å; I406-K408 PolarHBondContact O-N 3.35Å |
| 407 | V | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 123.2 | 163.7 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | T354 G357 A358 V360 F397 Q409 L411 | T354-V407 HydrophobicContact CG2-CG2 3.74Å; G357-V407 PolarHBondContact N-O 3.13Å; A358-V407 PolarHBondContact O-N 3.09Å; V360-V407 HydrophobicContact CG1-CG2 3.7Å; F397-V407 HydrophobicContact CE1-CG2 4.27Å; V407-Q409 WeakPolarHBondContact CG1-O 3Å; V407-L411 HydrophobicContact CG1-CD2 4.21Å; V407-L411 HydrophobicContact CG1-CG 4.21Å; V407-L411 HydrophobicContact CG2-CD1 4.39Å |
| 408 | K | 91.5 | Very high | 82.4 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | trans | -98.4 | -29.2 | -171.8 | 172.2 | -179.2 | 165.7 | 178.9 | 0 | 113.2 | V356 R394 H395 Y396 F397 D398 I406 | V356-K408 WeakPolarHBondContact CG1-O 3.21Å; R394-K408 PolarHBondContact O-NZ 3.06Å; H395-K408 WeakPolarHBondContact O-CD 3.13Å; Y396-K408 WeakPolarHBondContact O-CB 3.13Å; Y396-K408 PolarHBondContact O-N 3.47Å; F397-K408 WeakPolarHBondContact O-CD 3.46Å; D398-K408 HydrophobicContact CB-CB 4.12Å; D398-K408 HydrophobicContact CB-CD 4.13Å; D398-K408 HydrophobicContact CB-CG 4.36Å; I406-K408 PolarHBondContact O-N 3.35Å | ||
| 409 | Q | 85.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 23% | 0.229 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -148.5 | 164 | 177 | 60.5 | 178.9 | 42.5 | 0 | 0 | 107 | H395 Y396 V407 L411 | H395-Q409 PolarHBondContact CD2-NE2 3.09Å; H395-Q409 PolarHBondContact CE1-NE2 3.26Å; H395-Q409 PolarHBondContact CE1-OE1 3.35Å; H395-Q409 VanDerWaalsContact CG-NE2 3.34Å; H395-Q409 VanDerWaalsContact ND1-CD 3.33Å; H395-Q409 PolarHBondContact ND1-NE2 2.76Å; H395-Q409 VanDerWaalsContact ND1-NE2 3.17Å; H395-Q409 PolarHBondContact ND1-OE1 2.93Å; H395-Q409 PolarHBondContact NE2-NE2 2.8Å; H395-Q409 WeakPolarHBondContact O-CG 3.31Å; H395-Q409 PolarHBondContact O-OE1 3.43Å; Y396-Q409 HydrophobicContact CD1-CG 4.11Å; V407-Q409 WeakPolarHBondContact CG1-O 3Å; Q409-L411 PolarHBondContact O-N 2.89Å |
| 410 | P | 85.6 | Confident | 77.3 | Confident | 94 Ų | 94 | 47.2 Ų | 47.2 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | trans | -51 | 135.5 | 175.3 | -25.5 | 35.7 | 0 | 0 | 0 | 110.7 | V356 Y396 | V356-P410 HydrophobicContact CG2-CG 4.06Å; Y396-P410 WeakPolarHBondContact CD1-O 3.38Å; Y396-P410 WeakPolarHBondContact CE1-O 3.01Å | ||
| 411 | L | 84.5 | Confident | 74.7 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | trans | -72.1 | 152.8 | 164.8 | -48.5 | 176.5 | 0 | 0 | 0 | 107.1 | I350 E352 Y396 F397 V407 Q409 V483 | I350-L411 HydrophobicContact CD1-CD1 3.8Å; I350-L411 HydrophobicContact CG1-CD1 4.26Å; E352-L411 HydrophobicContact CB-CB 3.84Å; E352-L411 WeakPolarHBondContact O-CB 3.14Å; Y396-L411 HydrophobicContact CD1-CD2 3.88Å; Y396-L411 HydrophobicContact CG-CD2 4.19Å; F397-L411 HydrophobicContact CE1-CD2 4Å; F397-L411 HydrophobicContact CE2-CD2 4.43Å; F397-L411 HydrophobicContact CZ-CD1 4.48Å; F397-L411 HydrophobicContact CZ-CD2 3.8Å; V407-L411 HydrophobicContact CG1-CD2 4.21Å; V407-L411 HydrophobicContact CG1-CG 4.21Å; V407-L411 HydrophobicContact CG2-CD1 4.39Å; Q409-L411 PolarHBondContact O-N 2.89Å; L411-V483 HydrophobicContact CD1-CG1 4Å; L411-V483 HydrophobicContact CD1-CG2 4.04Å | ||
| 412 | N | 77.7 | Confident | 71.9 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | trans | -158.7 | 124.2 | 167 | 169.3 | -100.3 | 0 | 0 | 0 | 107.1 | E352 Y396 D414 K415 | E352-N412 WeakPolarHBondContact OE2-CA 2.96Å; Y396-N412 PolarHBondContact OH-O 2.76Å; N412-D414 VanDerWaalsContact CG-OD2 3.24Å; N412-D414 PolarHBondContact ND2-OD1 3.25Å; N412-D414 PolarHBondContact ND2-OD2 3.5Å; N412-D414 PolarHBondContact OD1-OD2 2.99Å; N412-K415 PolarHBondContact ND2-NZ 3.21Å; N412-K415 WeakPolarHBondContact OD1-CB 3.31Å; N412-K415 WeakPolarHBondContact OD1-CD 3.35Å; N412-K415 WeakPolarHBondContact OD1-CE 3.24Å; N412-K415 WeakPolarHBondContact OD1-CG 3.25Å; N412-K415 PolarHBondContact OD1-N 3.47Å; N412-K415 VanDerWaalsContact OD1-N 3.16Å; N412-K415 PolarHBondContact OD1-NZ 2.74Å | ||
| 413 | V | 69.7 | Low | 69.3 | Low | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -92.1 | -45.3 | -165.8 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | E352 K415 L416 D417 V455 V483 | E352-V413 HydrophobicContact CB-CG2 3.96Å; E352-V413 WeakPolarHBondContact OE2-CG2 3.49Å; E352-V413 PolarHBondContact OE2-N 3.34Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 2.86Å; V413-L416 WeakPolarHBondContact O-CB 3.39Å; V413-L416 PolarHBondContact O-N 2.88Å; V413-D417 PolarHBondContact O-N 2.78Å; V413-V455 HydrophobicContact CG1-CB 4Å; V413-V455 HydrophobicContact CG1-CG2 3.5Å; V413-V483 HydrophobicContact CG2-CB 4.36Å; V413-V483 HydrophobicContact CG2-CG1 3.68Å |
| 414 | D | 68.3 | Low | 66.6 | Low | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.7 | -37.7 | 178 | 33.7 | -84.8 | 0 | 0 | 0 | 113.5 | N412 L416 D417 Q418 P539 | N412-D414 VanDerWaalsContact CG-OD2 3.24Å; N412-D414 PolarHBondContact ND2-OD1 3.25Å; N412-D414 PolarHBondContact ND2-OD2 3.5Å; N412-D414 PolarHBondContact OD1-OD2 2.99Å; D414-L416 PolarHBondContact O-N 2.87Å; D414-D417 PolarHBondContact O-N 3.28Å; D414-D417 VanDerWaalsContact O-N 3.16Å; D414-Q418 WeakPolarHBondContact O-CB 3.29Å; D414-Q418 VanDerWaalsContact O-CG 3.25Å; D414-Q418 WeakPolarHBondContact O-CG 3.45Å; D414-Q418 PolarHBondContact O-N 2.85Å; D414-P539 HydrophobicContact CB-CB 4.42Å |
| 415 | K | 64.7 | Low | 63.7 | Low | 82 Ų | 82 | 56.5 Ų | 56.5 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.6 | -16.2 | 176.8 | -70.2 | 160.3 | -153.9 | 62.4 | 0 | 113.9 | N412 V413 I419 E489 | N412-K415 PolarHBondContact ND2-NZ 3.21Å; N412-K415 WeakPolarHBondContact OD1-CB 3.31Å; N412-K415 WeakPolarHBondContact OD1-CD 3.35Å; N412-K415 WeakPolarHBondContact OD1-CE 3.24Å; N412-K415 WeakPolarHBondContact OD1-CG 3.25Å; N412-K415 PolarHBondContact OD1-N 3.47Å; N412-K415 VanDerWaalsContact OD1-N 3.16Å; N412-K415 PolarHBondContact OD1-NZ 2.74Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 2.86Å; K415-I419 VanDerWaalsContact O-CD1 3.32Å; K415-I419 WeakPolarHBondContact O-CD1 3.46Å; K415-I419 WeakPolarHBondContact O-CG1 3.24Å; K415-E489 IonicContact NZ-OE1 2.91Å; K415-E489 PolarHBondContact NZ-OE1 3.07Å; K415-E489 IonicContact NZ-OE2 3.98Å |
| 416 | L | 60.4 | Low | 60.6 | Low | 20 Ų | 20 | 63.3 Ų | 63.3 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -80.2 | -40.4 | 170.5 | -71.8 | 155.9 | 0 | 0 | 0 | 111.1 | I392 Y396 V413 D414 I419 N420 F457 | I392-L416 HydrophobicContact CD1-CD2 4.18Å; I392-L416 HydrophobicContact CG2-CD2 3.72Å; Y396-L416 HydrophobicContact CE2-CD1 4.04Å; Y396-L416 HydrophobicContact CE2-CD2 4.36Å; Y396-L416 HydrophobicContact CE2-CG 4.46Å; V413-L416 WeakPolarHBondContact O-CB 3.39Å; V413-L416 PolarHBondContact O-N 2.88Å; D414-L416 PolarHBondContact O-N 2.87Å; L416-I419 WeakPolarHBondContact O-CB 3.36Å; L416-I419 PolarHBondContact O-N 2.79Å; L416-N420 PolarHBondContact O-N 3.19Å; L416-N420 PolarHBondContact O-ND2 2.87Å; L416-F457 HydrophobicContact CD1-CE1 3.92Å; L416-F457 HydrophobicContact CD1-CZ 3.51Å |
| 417 | D | 53.7 | Low | 57.5 | Low | 50 Ų | 50 | 70.6 Ų | 70.6 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -80.2 | -24 | 177.5 | -105.1 | 20.9 | 0 | 0 | 0 | 114 | V413 D414 I419 N420 S421 | V413-D417 PolarHBondContact O-N 2.78Å; D414-D417 PolarHBondContact O-N 3.28Å; D414-D417 VanDerWaalsContact O-N 3.16Å; D417-I419 PolarHBondContact O-N 2.66Å; D417-N420 PolarHBondContact O-N 3.23Å; D417-N420 VanDerWaalsContact O-N 3.15Å; D417-N420 PolarHBondContact OD1-ND2 3.46Å; D417-S421 WeakPolarHBondContact O-CB 3.25Å; D417-S421 PolarHBondContact O-N 3.49Å; D417-S421 PolarHBondContact O-OG 2.93Å |
| 418 | Q | 48.5 | Very low | 54.5 | Low | 82 Ų | 82 | 77.1 Ų | 77.1 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.4 | -30.5 | 164.3 | -72.9 | 175.1 | 32.4 | 0 | 0 | 112 | D414 S421 H422 | D414-Q418 WeakPolarHBondContact O-CB 3.29Å; D414-Q418 VanDerWaalsContact O-CG 3.25Å; D414-Q418 WeakPolarHBondContact O-CG 3.45Å; D414-Q418 PolarHBondContact O-N 2.85Å; Q418-S421 WeakPolarHBondContact CA-OG 3.17Å; Q418-S421 PolarHBondContact O-OG 3.39Å; Q418-H422 PolarHBondContact O-ND1 3.17Å |
| 419 | I | 45.1 | Very low | 51.4 | Low | 95 Ų | 95 | 81 Ų | 81 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -74 | -35.6 | 173.4 | -69.6 | 166.7 | 0 | 0 | 0 | 111.1 | K415 L416 D417 I423 | K415-I419 VanDerWaalsContact O-CD1 3.32Å; K415-I419 WeakPolarHBondContact O-CD1 3.46Å; K415-I419 WeakPolarHBondContact O-CG1 3.24Å; L416-I419 WeakPolarHBondContact O-CB 3.36Å; L416-I419 PolarHBondContact O-N 2.79Å; D417-I419 PolarHBondContact O-N 2.66Å; I419-I423 WeakPolarHBondContact O-CD1 3.36Å; I419-I423 WeakPolarHBondContact O-CG1 3.28Å |
| 420 | N | 38.2 | Very low | 48.8 | Very low | 32 Ų | 32 | 84.3 Ų | 84.3 | 17% | 0.171 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.7 | -46.8 | 179.9 | -63 | -33.6 | 0 | 0 | 0 | 112.5 | L416 D417 H422 I423 I449 | L416-N420 PolarHBondContact O-N 3.19Å; L416-N420 PolarHBondContact O-ND2 2.87Å; D417-N420 PolarHBondContact O-N 3.23Å; D417-N420 VanDerWaalsContact O-N 3.15Å; D417-N420 PolarHBondContact OD1-ND2 3.46Å; N420-H422 VanDerWaalsContact C-N 3.32Å; N420-H422 PolarHBondContact O-N 3.21Å; N420-I423 WeakPolarHBondContact O-CB 3.36Å; N420-I423 PolarHBondContact O-N 2.9Å; N420-I449 WeakPolarHBondContact ND2-CD1 3.49Å |
| 421 | S | 39.1 | Very low | 46 | Very low | 64 Ų | 64 | 85.1 Ų | 85.1 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 179.5 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | D417 Q418 I423 N424 | D417-S421 WeakPolarHBondContact O-CB 3.25Å; D417-S421 PolarHBondContact O-N 3.49Å; D417-S421 PolarHBondContact O-OG 2.93Å; Q418-S421 WeakPolarHBondContact CA-OG 3.17Å; Q418-S421 PolarHBondContact O-OG 3.39Å; S421-I423 PolarHBondContact O-N 3.41Å; S421-I423 VanDerWaalsContact O-N 3.16Å; S421-N424 PolarHBondContact O-N 3Å |
| 422 | H | 34.3 | Very low | 43.4 | Very low | 120 Ų | 120 | 89.6 Ų | 89.6 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.9 | -4.9 | 177.6 | -77.4 | 87.9 | 0 | 0 | 0 | 115 | Q418 N420 I430 | Q418-H422 PolarHBondContact O-ND1 3.17Å; N420-H422 VanDerWaalsContact C-N 3.32Å; N420-H422 PolarHBondContact O-N 3.21Å; H422-I430 HydrophobicContact CB-CD1 4.22Å; H422-I430 VanDerWaalsContact CD2-CD1 3.45Å; H422-I430 WeakPolarHBondContact CD2-CD1 3.27Å |
| 423 | I | 36.7 | Very low | 41 | Very low | 58 Ų | 58 | 93.6 Ų | 93.6 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89.3 | -19.1 | 174.7 | -66.6 | 169.5 | 0 | 0 | 0 | 111.8 | I419 N420 S421 K442 | I419-I423 WeakPolarHBondContact O-CD1 3.36Å; I419-I423 WeakPolarHBondContact O-CG1 3.28Å; N420-I423 WeakPolarHBondContact O-CB 3.36Å; N420-I423 PolarHBondContact O-N 2.9Å; S421-I423 PolarHBondContact O-N 3.41Å; S421-I423 VanDerWaalsContact O-N 3.16Å; I423-K442 HydrophobicContact CG2-CD 3.91Å; I423-K442 HydrophobicContact CG2-CG 4.1Å; I423-K442 PolarHBondContact O-NZ 3.04Å |
| 424 | N | 35.9 | Very low | 39.2 | Very low | 122 Ų | 122 | 101.3 Ų | 101.3 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -100 | -21 | -171.4 | -74.9 | -24.8 | 0 | 0 | 0 | 115.3 | S421 | S421-N424 PolarHBondContact O-N 3Å |
| 425 | H | 34.9 | Very low | 37.7 | Very low | 155 Ų | 155 | 105.2 Ų | 105.2 | 72% | 0.718 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -120.4 | 123 | 173.1 | -74.2 | -60.4 | 0 | 0 | 0 | 113.3 | ||
| 426 | N | 29.8 | Very low | 36 | Very low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 58% | 0.579 | S | S | * | * | trans | 75.6 | 131.8 | 168.8 | -57.1 | -47.7 | 0 | 0 | 0 | 118.7 | N428 | N426-N428 PolarHBondContact O-N 3.03Š| ||
| 427 | N | 29.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 115.7 Ų | 115.7 | 91% | 0.909 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -77.6 | 39.5 | -175.2 | -70.4 | -52.3 | 0 | 0 | 0 | 114.7 | ||
| 428 | N | 30 | Very low | 33.6 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 73% | 0.733 | 61% | 0.612 | S | S | * | * | trans | -128.9 | 77.2 | -169.9 | -87.2 | -36.3 | 0 | 0 | 0 | 115.6 | N426 I430 | N426-N428 PolarHBondContact O-N 3.03Å; N428-I430 PolarHBondContact O-N 2.84Å | ||
| 429 | K | 27 | Very low | 32.9 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | 50.3 | 55.2 | 128.4 | -158.7 | -169.8 | -179.6 | -176.5 | 0 | 117.5 | |||||
| 430 | I | 30.4 | Very low | 32.5 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 61% | 0.605 | 65% | 0.649 | S | S | * | * | trans | -74.6 | 125.1 | 164.5 | -66 | 177.2 | 0 | 0 | 0 | 109.4 | H422 N428 | H422-I430 HydrophobicContact CB-CD1 4.22Å; H422-I430 VanDerWaalsContact CD2-CD1 3.45Å; H422-I430 WeakPolarHBondContact CD2-CD1 3.27Å; N428-I430 PolarHBondContact O-N 2.84Å | ||
| 431 | V | 27.3 | Very low | 32.6 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | trans | -106.3 | 97.1 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 109 | P433 | V431-P433 WeakPolarHBondContact O-CD 3.45Š| ||
| 432 | L | 30.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 55% | 0.55 | 67% | 0.665 | S | S | . | * | trans | -63.1 | 118.8 | 165.4 | -79 | 167.4 | 0 | 0 | 0 | 109.1 | N434 | L432-N434 PolarHBondContact O-N 2.91Š| ||
| 433 | P | 26.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 139.3 | 174.8 | 25.7 | -32.2 | 0 | 0 | 0 | 109.9 | V431 | V431-P433 WeakPolarHBondContact O-CD 3.45Š|
| 434 | N | 32.1 | Very low | 32.6 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.7 | 4.6 | 175.9 | -51.7 | -31.8 | 0 | 0 | 0 | 119 | L432 | L432-N434 PolarHBondContact O-N 2.91Š|
| 435 | I | 36.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 45% | 0.451 | 67% | 0.67 | S | S | . | * | trans | -110.6 | 90.1 | 170.9 | -52.1 | -175.9 | 0 | 0 | 0 | 112.4 | G437 | I435-G437 VanDerWaalsContact C-N 3.33Å; I435-G437 PolarHBondContact O-N 2.85Å | ||
| 436 | R | 29.2 | Very low | 33.2 | Very low | 267 Ų | 267 | 131 Ų | 131 | 100% | 1.008 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 85.6 | 164.1 | -80.1 | -172.5 | 173.5 | -173 | -0.8 | 110.2 | ||
| 437 | G | 31.1 | Very low | 33.9 | Very low | 55 Ų | 55 | 132.9 Ų | 132.9 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.8 | 3.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | I435 Y439 | I435-G437 VanDerWaalsContact C-N 3.33Å; I435-G437 PolarHBondContact O-N 2.85Å; G437-Y439 PolarHBondContact O-N 3.23Å |
| 438 | A | 31.9 | Very low | 34.5 | Very low | 60 Ų | 60 | 126.9 Ų | 126.9 | 50% | 0.496 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | 41 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 439 | Y | 33.5 | Very low | 35.2 | Very low | 222 Ų | 222 | 124 Ų | 124 | 87% | 0.871 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 10.2 | -175.9 | -82.2 | -69.9 | 0 | 0 | 0 | 115.2 | G437 | G437-Y439 PolarHBondContact O-N 3.23Š|
| 440 | Q | 36.8 | Very low | 35.8 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -137.1 | 18.3 | -179.4 | -63.9 | -170.5 | -74.5 | 0 | 0 | 114.3 | ||
| 441 | L | 40.4 | Very low | 36.3 | Very low | 77 Ų | 77 | 123 Ų | 123 | 40% | 0.403 | 63% | 0.626 | S | S | . | * | trans | -87.1 | -1.7 | -175.4 | -81.7 | 157.4 | 0 | 0 | 0 | 115 | P388 I445 | P388-L441 HydrophobicContact CB-CD2 3.65Å; P388-L441 HydrophobicContact CG-CD2 3.67Å; L441-I445 HydrophobicContact CD2-CD1 4.26Å; L441-I445 WeakPolarHBondContact O-CD1 3.46Å | ||
| 442 | K | 35.6 | Very low | 37.2 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 54% | 0.543 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -88.6 | -15.3 | -166.1 | -168.7 | 150.7 | -176.3 | 146.6 | 0 | 115.5 | I423 | I423-K442 HydrophobicContact CG2-CD 3.91Å; I423-K442 HydrophobicContact CG2-CG 4.1Å; I423-K442 PolarHBondContact O-NZ 3.04Å |
| 443 | D | 38.1 | Very low | 38.5 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -114.3 | -7 | -171 | -51.7 | -32.6 | 0 | 0 | 0 | 114 | ||
| 444 | D | 36.1 | Very low | 40.4 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -111 | -1.7 | -171 | -87.3 | -20.8 | 0 | 0 | 0 | 114.6 | ||
| 445 | I | 43.7 | Very low | 42.3 | Very low | 38 Ų | 38 | 109 Ų | 109 | 20% | 0.195 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -98.6 | -29.8 | -172.2 | -63.4 | -180 | 0 | 0 | 0 | 112.9 | L441 E447 N448 | L441-I445 HydrophobicContact CD2-CD1 4.26Å; L441-I445 WeakPolarHBondContact O-CD1 3.46Å; I445-E447 PolarHBondContact O-N 2.79Å; I445-N448 PolarHBondContact O-N 2.88Å |
| 446 | D | 41 | Very low | 44.3 | Very low | 145 Ų | 145 | 106.9 Ų | 106.9 | 78% | 0.775 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.4 | -164.6 | -75.8 | -7.6 | 0 | 0 | 0 | 116.9 | ||
| 447 | E | 45 | Very low | 47 | Very low | 182 Ų | 182 | 94.8 Ų | 94.8 | 85% | 0.85 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -3.8 | 179.9 | -71.7 | -159.7 | 152.8 | 0 | 0 | 115.6 | I445 | I445-E447 PolarHBondContact O-N 2.79Š|
| 448 | N | 41.8 | Very low | 49.7 | Very low | 45 Ų | 45 | 96.3 Ų | 96.3 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -118.5 | -6.6 | -168.6 | -81.9 | -82.4 | 0 | 0 | 0 | 118 | I445 Q456 R458 | I445-N448 PolarHBondContact O-N 2.88Å; N448-Q456 PolarHBondContact O-NE2 3.44Å; N448-Q456 PolarHBondContact OD1-NE2 2.87Å; N448-R458 PolarHBondContact OD1-NE 3.29Å |
| 449 | I | 43.9 | Very low | 52.5 | Low | 75 Ų | 75 | 93.6 Ų | 93.6 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | trans | -111.4 | 88.9 | 178.2 | -54.4 | 178.2 | 0 | 0 | 0 | 109 | N420 | N420-I449 WeakPolarHBondContact ND2-CD1 3.49Š| ||
| 450 | N | 40 | Very low | 55.3 | Low | 136 Ų | 136 | 86.9 Ų | 86.9 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | trans | -79.2 | 131 | 172.6 | -86.3 | -52.8 | 0 | 0 | 0 | 109.9 | G452 | N450-G452 PolarHBondContact O-N 2.68Å; N450-G452 VanDerWaalsContact O-N 3.16Å | ||
| 451 | K | 40.1 | Very low | 58 | Low | 145 Ų | 145 | 78.9 Ų | 78.9 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -53.4 | 115.3 | 178 | -62.2 | -179.8 | 173.4 | -173 | 0 | 111.9 | N572 | K451-N572 PolarHBondContact NZ-O 2.9Š|
| 452 | G | 46 | Very low | 60.6 | Low | 39 Ų | 39 | 75.9 Ų | 75.9 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 146.1 | 93.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N450 N454 | N450-G452 PolarHBondContact O-N 2.68Å; N450-G452 VanDerWaalsContact O-N 3.16Å; G452-N454 PolarHBondContact O-N 3.46Å; G452-N454 PolarHBondContact O-ND2 2.61Å |
| 453 | V | 58.3 | Low | 63.4 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 62.6 | -10.5 | 160.1 | -167.8 | 0 | 0 | 0 | 0 | 116.8 | T484 | V453-T484 HydrophobicContact CG1-CG2 4.4Š|
| 454 | N | 67.3 | Low | 66.1 | Low | 49 Ų | 49 | 63.6 Ų | 63.6 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 130.9 | -170.9 | -50.8 | -103.9 | 0 | 0 | 0 | 112 | P349 G452 V483 T484 | P349-N454 VanDerWaalsContact CB-OD1 3.27Å; P349-N454 WeakPolarHBondContact CB-OD1 3.43Å; P349-N454 WeakPolarHBondContact CG-OD1 3.28Å; G452-N454 PolarHBondContact O-N 3.46Å; G452-N454 PolarHBondContact O-ND2 2.61Å; N454-V483 CarbonylContact C-O 3.23Å; N454-V483 WeakPolarHBondContact CA-O 3.09Å; N454-T484 WeakPolarHBondContact OD1-CG2 3.04Å |
| 455 | V | 71.7 | Confident | 68.8 | Low | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.9 | 169.1 | 167 | 0 | 0 | 0 | 0 | 110.7 | V413 F457 V483 | V413-V455 HydrophobicContact CG1-CB 4Å; V413-V455 HydrophobicContact CG1-CG2 3.5Å; V455-F457 HydrophobicContact CG1-CD2 4.43Å; V455-F457 HydrophobicContact CG1-CE2 3.97Å; V455-F457 HydrophobicContact CG1-CZ 4.42Å; V455-V483 PolarHBondContact N-O 2.89Å; V455-V483 PolarHBondContact O-N 3.4Å |
| 456 | Q | 79.5 | Confident | 71.2 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106 | -171.5 | -177.3 | -163.1 | -122.8 | 0 | 0 | 111.7 | N448 R458 I480 L482 | N448-Q456 PolarHBondContact O-NE2 3.44Å; N448-Q456 PolarHBondContact OD1-NE2 2.87Å; Q456-R458 VanDerWaalsContact CD-NH2 3.34Å; Q456-I480 HydrophobicContact CG-CG2 3.72Å; Q456-L482 HydrophobicContact CB-CD2 3.86Å; Q456-L482 HydrophobicContact CG-CD2 3.93Å |
| 457 | F | 86 | Confident | 73.5 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 123.9 | 170.9 | -62.7 | -100.9 | 0 | 0 | 0 | 110 | I392 Y396 F397 L416 V455 I480 I481 V483 | I392-F457 HydrophobicContact CG2-CD1 4.1Å; I392-F457 HydrophobicContact CG2-CE1 3.75Å; Y396-F457 AromaticContact CD2-CE1 3.78Å; Y396-F457 HydrophobicContact CD2-CE1 3.78Å; Y396-F457 HydrophobicContact CD2-CZ 4.32Å; Y396-F457 HydrophobicContact CE2-CE1 4.29Å; Y396-F457 HydrophobicContact CG-CE1 4.34Å; F397-F457 HydrophobicContact CE2-CB 4.16Å; F397-F457 AromaticContact CE2-CD1 3.9Å; F397-F457 HydrophobicContact CE2-CD1 3.9Å; F397-F457 HydrophobicContact CE2-CD2 4.08Å; F397-F457 HydrophobicContact CE2-CE1 4.28Å; F397-F457 HydrophobicContact CE2-CE2 4.48Å; F397-F457 AromaticContact CE2-CG 3.78Å; F397-F457 HydrophobicContact CE2-CG 3.78Å; F397-F457 HydrophobicContact CZ-CD2 4.46Å; L416-F457 HydrophobicContact CD1-CE1 3.92Å; L416-F457 HydrophobicContact CD1-CZ 3.51Å; V455-F457 HydrophobicContact CG1-CD2 4.43Å; V455-F457 HydrophobicContact CG1-CE2 3.97Å; V455-F457 HydrophobicContact CG1-CZ 4.42Å; F457-I480 WeakPolarHBondContact O-CA 3.31Å; F457-I481 HydrophobicContact CB-CB 4.39Å; F457-I481 PolarHBondContact N-O 3.3Å; F457-I481 PolarHBondContact O-N 3.45Å; F457-V483 HydrophobicContact CD2-CG2 3.76Å; F457-V483 HydrophobicContact CE2-CB 4.13Å; F457-V483 HydrophobicContact CE2-CG2 3.49Å; F457-V483 VanDerWaalsContact CE2-CG2 3.49Å |
| 458 | R | 86.2 | Confident | 75.5 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 33% | 0.328 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.9 | 178.6 | -175.4 | -174.2 | -60.5 | -84.9 | -10.8 | 110.4 | N448 Q456 T478 V479 | N448-R458 PolarHBondContact OD1-NE 3.29Å; Q456-R458 VanDerWaalsContact CD-NH2 3.34Å; R458-T478 HydrophobicContact CG-CG2 4.29Å; R458-V479 WeakPolarHBondContact CA-O 3.27Å |
| 459 | F | 91.1 | Very high | 77.6 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 176 | -179 | 58.4 | -90.6 | 0 | 0 | 0 | 112.5 | F380 E390 A393 I399 I405 V479 I481 | F380-F459 AromaticContact CD1-CD2 3.56Å; F380-F459 HydrophobicContact CD1-CD2 3.56Å; F380-F459 AromaticContact CD1-CE2 3.88Å; F380-F459 HydrophobicContact CD1-CE2 3.88Å; F380-F459 HydrophobicContact CD1-CG 4.3Å; F380-F459 AromaticContact CE1-CD2 3.45Å; F380-F459 HydrophobicContact CE1-CD2 3.45Å; F380-F459 VanDerWaalsContact CE1-CD2 3.45Å; F380-F459 AromaticContact CE1-CE2 3.48Å; F380-F459 HydrophobicContact CE1-CE2 3.48Å; F380-F459 VanDerWaalsContact CE1-CE2 3.48Å; F380-F459 HydrophobicContact CE1-CG 4.01Å; F380-F459 HydrophobicContact CE1-CZ 4.04Å; F380-F459 HydrophobicContact CZ-CE2 4.4Å; E390-F459 HydrophobicContact CB-CB 4.15Å; E390-F459 HydrophobicContact CG-CB 3.96Å; A393-F459 HydrophobicContact CB-CB 3.92Å; A393-F459 HydrophobicContact CB-CD1 3.36Å; A393-F459 HydrophobicContact CB-CE1 3.99Å; A393-F459 HydrophobicContact CB-CG 3.82Å; I399-F459 HydrophobicContact CD1-CE2 3.98Å; I405-F459 HydrophobicContact CD1-CE2 4.29Å; I405-F459 HydrophobicContact CD1-CZ 4.14Å; I405-F459 HydrophobicContact CG2-CZ 4.43Å; F459-V479 HydrophobicContact CD1-CB 4.39Å; F459-V479 HydrophobicContact CD1-CG1 4.49Å; F459-V479 HydrophobicContact CD2-CB 3.86Å; F459-V479 HydrophobicContact CD2-CG1 4.46Å; F459-V479 HydrophobicContact CD2-CG2 4.27Å; F459-V479 HydrophobicContact CE1-CB 4.11Å; F459-V479 HydrophobicContact CE1-CG1 3.77Å; F459-V479 HydrophobicContact CE2-CB 3.51Å; F459-V479 HydrophobicContact CE2-CG1 3.71Å; F459-V479 HydrophobicContact CE2-CG2 3.81Å; F459-V479 HydrophobicContact CG-CB 4.31Å; F459-V479 HydrophobicContact CZ-CB 3.68Å; F459-V479 HydrophobicContact CZ-CG1 3.34Å; F459-V479 HydrophobicContact CZ-CG2 4.33Å; F459-V479 PolarHBondContact N-O 3.31Å; F459-V479 VanDerWaalsContact N-O 3.1Å; F459-V479 PolarHBondContact O-N 3.31Å; F459-I481 HydrophobicContact CE1-CD1 3.9Å; F459-I481 HydrophobicContact CE1-CG1 4.31Å; F459-I481 HydrophobicContact CZ-CD1 4.01Å |
| 460 | R | 92.2 | Very high | 79.6 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.7 | -179.9 | -71.7 | -96.1 | -171.4 | -122.9 | -5.1 | 111.7 | S381 H384 E390 E476 T478 | S381-R460 VanDerWaalsContact CB-CB 3.46Å; S381-R460 PolarHBondContact N-O 3.07Å; H384-R460 HydrophobicContact CB-CB 4.31Å; H384-R460 HydrophobicContact CB-CG 4.33Å; H384-R460 PolarHBondContact NE2-NE 3.36Å; E390-R460 PolarHBondContact OE2-N 3.29Å; R460-E476 IonicContact NE-OE2 3.05Å; R460-T478 PolarHBondContact NH1-OG1 3.2Å |
| 461 | A | 93.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F339 L363 S379 I399 E476 A477 V479 | F339-A461 HydrophobicContact CE1-CB 4.48Å; F339-A461 WeakPolarHBondContact CE2-O 3.42Å; F339-A461 HydrophobicContact CZ-CB 3.98Å; L363-A461 HydrophobicContact CD1-CB 3.66Å; S379-A461 CarbonylContact O-C 3.59Å; S379-A461 WeakPolarHBondContact O-CA 3.49Å; I399-A461 HydrophobicContact CD1-CB 4.07Å; A461-E476 CarbonylContact O-C 3.58Å; A461-E476 VanDerWaalsContact O-CA 3.3Å; A461-E476 WeakPolarHBondContact O-CA 3.44Å; A461-A477 PolarHBondContact N-O 3.27Å; A461-A477 PolarHBondContact O-N 2.83Å; A461-V479 HydrophobicContact CB-CG2 3.8Å |
| 462 | V | 94.9 | Very high | 84.2 | Confident | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.085 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.4 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 108.5 | F378 S379 E464 S475 E476 | F378-V462 CarbonylContact C-O 3.57Å; F378-V462 WeakPolarHBondContact CA-O 3.14Å; S379-V462 PolarHBondContact N-O 2.97Å; S379-V462 PolarHBondContact O-N 2.97Å; V462-E464 HydrophobicContact CG1-CB 4.31Å; V462-S475 WeakPolarHBondContact CA-O 3.32Å; V462-E476 HydrophobicContact CG2-CG 4.1Å; V462-E476 WeakPolarHBondContact CG2-OE1 3.34Å |
| 463 | V | 95 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.9 | 159.4 | 64.7 | 0 | 0 | 0 | 0 | 107.7 | P337 F339 A365 F376 H377 F378 S474 S475 | P337-V463 HydrophobicContact CB-CG1 4.03Å; P337-V463 HydrophobicContact CB-CG2 4Å; P337-V463 HydrophobicContact CG-CG1 4.35Å; P337-V463 WeakPolarHBondContact O-CG1 3.25Å; F339-V463 HydrophobicContact CD2-CG1 3.79Å; F339-V463 HydrophobicContact CE2-CB 3.97Å; F339-V463 HydrophobicContact CE2-CG1 3.65Å; F339-V463 HydrophobicContact CG-CG1 4.39Å; F339-V463 HydrophobicContact CZ-CB 3.98Å; F339-V463 HydrophobicContact CZ-CG1 4.15Å; A365-V463 HydrophobicContact CB-CB 4.44Å; A365-V463 HydrophobicContact CB-CG1 4.19Å; A365-V463 HydrophobicContact CB-CG2 4.08Å; F376-V463 HydrophobicContact CB-CG2 3.79Å; F376-V463 HydrophobicContact CD2-CG2 3.36Å; F376-V463 HydrophobicContact CE2-CG2 4.15Å; F376-V463 HydrophobicContact CG-CG2 3.73Å; H377-V463 WeakPolarHBondContact O-CA 3.47Å; F378-V463 HydrophobicContact CD1-CB 3.9Å; F378-V463 HydrophobicContact CD1-CG2 4.07Å; F378-V463 HydrophobicContact CE1-CB 3.93Å; F378-V463 HydrophobicContact CE1-CG2 3.93Å; F378-V463 HydrophobicContact CZ-CG2 4.3Å; V463-S474 CarbonylContact O-C 3.58Å; V463-S474 WeakPolarHBondContact O-CA 3.35Å; V463-S474 WeakPolarHBondContact O-CB 3.37Å; V463-S475 WeakPolarHBondContact CG1-OG 3.46Å; V463-S475 PolarHBondContact N-O 3.36Å; V463-S475 PolarHBondContact O-N 3.47Å |
| 464 | E | 94 | Very high | 88.1 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.1 | -176.7 | -173 | 174.7 | -174.8 | 0 | 0 | 108.3 | F376 H377 K382 V462 R469 R473 | F376-E464 CarbonylContact C-O 3.51Å; F376-E464 VanDerWaalsContact CA-O 3.29Å; F376-E464 WeakPolarHBondContact CA-O 3.5Å; F376-E464 WeakPolarHBondContact CB-O 3.48Å; H377-E464 PolarHBondContact N-O 3.15Å; H377-E464 PolarHBondContact O-N 3.08Å; K382-E464 IonicContact NZ-OE2 3.71Å; K382-E464 PolarHBondContact NZ-OE2 2.84Å; V462-E464 HydrophobicContact CG1-CB 4.31Å; E464-R469 IonicContact OE1-CZ 3.66Å; E464-R469 IonicContact OE1-NH1 2.61Å; E464-R469 PolarHBondContact OE1-NH1 3.36Å; E464-R469 IonicContact OE1-NH2 3.86Å; E464-R469 PolarHBondContact OE1-NH2 3.01Å; E464-R469 IonicContact OE2-NH2 2.58Å; E464-R473 WeakPolarHBondContact CA-O 3.04Å |
| 465 | D | 94.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 168.2 | 178.2 | 68.9 | 52.9 | 0 | 0 | 0 | 113.3 | N333 P337 N373 I375 A467 T472 R473 | N333-D465 VanDerWaalsContact ND2-CG 3.3Å; N333-D465 PolarHBondContact ND2-OD1 3.12Å; N333-D465 PolarHBondContact ND2-OD2 2.84Å; P337-D465 HydrophobicContact CG-CB 4.25Å; N373-D465 WeakPolarHBondContact O-CB 3.29Å; I375-D465 CarbonylContact O-C 3.56Å; I375-D465 WeakPolarHBondContact O-CA 3.44Å; D465-A467 WeakPolarHBondContact OD1-CB 3.49Å; D465-A467 PolarHBondContact OD1-N 2.85Å; D465-T472 VanDerWaalsContact OD1-CA 3.28Å; D465-T472 WeakPolarHBondContact OD1-CA 3.37Å; D465-R473 PolarHBondContact N-O 2.7Å; D465-R473 VanDerWaalsContact N-O 3.1Å; D465-R473 WeakPolarHBondContact OD2-CA 3.3Å; D465-R473 WeakPolarHBondContact OD2-CB 3.39Å; D465-R473 PolarHBondContact OD2-N 2.96Å |
| 466 | E | 93.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | trans | -95.3 | 18.1 | 177.8 | -66 | -66 | 160.9 | 0 | 0 | 113.2 | I372 I375 H377 | I372-E466 CarbonylContact O-C 3.6Å; I372-E466 PolarHBondContact O-N 2.95Å; I375-E466 HydrophobicContact CG2-CB 4.45Å; I375-E466 HydrophobicContact CG2-CG 3.91Å; I375-E466 PolarHBondContact O-N 2.87Å; H377-E466 IonicContact CE1-OE1 3.13Å; H377-E466 IonicContact CG-OE1 2.88Å; H377-E466 IonicContact ND1-OE1 2.75Å; H377-E466 PolarHBondContact ND1-OE1 2.93Å | ||
| 467 | A | 90.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66 | 160.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N333 I372 N373 D465 R469 T472 | N333-A467 WeakPolarHBondContact ND2-CB 3.28Å; I372-A467 PolarHBondContact O-N 2.74Å; N373-A467 VanDerWaalsContact OD1-CB 3.23Å; N373-A467 WeakPolarHBondContact OD1-CB 3.3Å; D465-A467 WeakPolarHBondContact OD1-CB 3.49Å; D465-A467 PolarHBondContact OD1-N 2.85Å; A467-R469 PolarHBondContact O-N 2.84Å; A467-R469 VanDerWaalsContact O-N 3.1Å; A467-T472 HydrophobicContact CB-CG2 4.49Å; A467-T472 WeakPolarHBondContact O-CG2 3.47Å |
| 468 | T | 87.2 | Confident | 91.4 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | trans | -69.4 | 113.4 | 178.6 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | I372 Y471 | I372-T468 HydrophobicContact CD1-CG2 4.13Å; T468-Y471 WeakPolarHBondContact O-CB 3.42Å; T468-Y471 VanDerWaalsContact O-CD2 3.3Å; T468-Y471 WeakPolarHBondContact O-CD2 3.47Å; T468-Y471 PolarHBondContact O-N 2.87Å | ||
| 469 | R | 84.1 | Confident | 91.7 | Very high | 161 Ų | 161 | 50.4 Ų | 50.4 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 136.8 | 174.2 | -65 | -172.8 | -173.5 | -77.1 | -0.4 | 111.2 | E464 A467 T472 | E464-R469 IonicContact OE1-CZ 3.66Å; E464-R469 IonicContact OE1-NH1 2.61Å; E464-R469 PolarHBondContact OE1-NH1 3.36Å; E464-R469 IonicContact OE1-NH2 3.86Å; E464-R469 PolarHBondContact OE1-NH2 3.01Å; E464-R469 IonicContact OE2-NH2 2.58Å; A467-R469 PolarHBondContact O-N 2.84Å; A467-R469 VanDerWaalsContact O-N 3.1Å; R469-T472 HydrophobicContact CG-CG2 3.64Å; R469-T472 PolarHBondContact NH1-OG1 2.9Å; R469-T472 VanDerWaalsContact NH1-OG1 3.1Å |
| 470 | P | 86 | Confident | 91.7 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 71% | 0.714 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90 | 9.8 | 15 | 37.6 | -38.2 | 0 | 0 | 0 | 115.3 | T472 | P470-T472 PolarHBondContact O-N 3.4Š|
| 471 | Y | 87.6 | Confident | 91.6 | Very high | 162 Ų | 162 | 47.3 Ų | 47.3 | 64% | 0.635 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -79.7 | 2.1 | -173.8 | -57.5 | -74.4 | 0 | 0 | 0 | 114.9 | N333 T468 | N333-Y471 PolarHBondContact ND2-O 2.85Å; T468-Y471 WeakPolarHBondContact O-CB 3.42Å; T468-Y471 VanDerWaalsContact O-CD2 3.3Å; T468-Y471 WeakPolarHBondContact O-CD2 3.47Å; T468-Y471 PolarHBondContact O-N 2.87Å |
| 472 | T | 90.7 | Very high | 91.2 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | trans | -65.2 | 132.6 | 177.2 | 50 | 0 | 0 | 0 | 0 | 112.4 | D465 A467 R469 P470 | D465-T472 VanDerWaalsContact OD1-CA 3.28Å; D465-T472 WeakPolarHBondContact OD1-CA 3.37Å; A467-T472 HydrophobicContact CB-CG2 4.49Å; A467-T472 WeakPolarHBondContact O-CG2 3.47Å; R469-T472 HydrophobicContact CG-CG2 3.64Å; R469-T472 PolarHBondContact NH1-OG1 2.9Å; R469-T472 VanDerWaalsContact NH1-OG1 3.1Å; P470-T472 PolarHBondContact O-N 3.4Å | ||
| 473 | R | 92.5 | Very high | 90.7 | Very high | 88 Ų | 88 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | trans | -117.9 | 163.4 | 176.2 | -62.2 | 168 | 80.2 | 166 | -24.2 | 110.5 | N333 D334 N335 T336 E464 D465 | N333-R473 PolarHBondContact O-NH1 3.18Å; N333-R473 WeakPolarHBondContact OD1-CD 3.41Å; D334-R473 PolarHBondContact O-NH1 2.81Å; D334-R473 PolarHBondContact O-NH2 2.96Å; N335-R473 WeakPolarHBondContact O-CD 3.39Å; N335-R473 PolarHBondContact O-NE 2.92Å; N335-R473 PolarHBondContact O-NH1 2.9Å; N335-R473 PolarHBondContact O-NH2 3.42Å; T336-R473 HydrophobicContact CG2-CB 4.18Å; T336-R473 PolarHBondContact OG1-NE 3.03Å; T336-R473 PolarHBondContact OG1-NH2 3.46Å; E464-R473 WeakPolarHBondContact CA-O 3.04Å; D465-R473 PolarHBondContact N-O 2.7Å; D465-R473 VanDerWaalsContact N-O 3.1Å; D465-R473 WeakPolarHBondContact OD2-CA 3.3Å; D465-R473 WeakPolarHBondContact OD2-CB 3.39Å; D465-R473 PolarHBondContact OD2-N 2.96Å | ||
| 474 | S | 93.6 | Very high | 90 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 46% | 0.462 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 153.7 | -172.1 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | V463 | V463-S474 CarbonylContact O-C 3.58Å; V463-S474 WeakPolarHBondContact O-CA 3.35Å; V463-S474 WeakPolarHBondContact O-CB 3.37Å |
| 475 | S | 93.5 | Very high | 89.1 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 167.2 | 165.6 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | P337 F339 V462 V463 | P337-S475 VanDerWaalsContact O-CB 3.31Å; P337-S475 WeakPolarHBondContact O-CB 3.37Å; P337-S475 PolarHBondContact O-OG 3.07Å; F339-S475 WeakPolarHBondContact CD2-OG 3.43Å; F339-S475 WeakPolarHBondContact CE2-O 3.39Å; F339-S475 PolarHBondContact N-OG 3.07Å; V462-S475 WeakPolarHBondContact CA-O 3.32Å; V463-S475 WeakPolarHBondContact CG1-OG 3.46Å; V463-S475 PolarHBondContact N-O 3.36Å; V463-S475 PolarHBondContact O-N 3.47Å |
| 476 | E | 93 | Very high | 88.2 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.6 | 178.9 | -57.6 | -149.8 | 125.1 | 0 | 0 | 112.4 | S381 H384 R460 A461 V462 | S381-E476 WeakPolarHBondContact CB-OE1 3.45Å; S381-E476 PolarHBondContact OG-OE1 3.49Å; H384-E476 IonicContact CE1-OE1 2.68Å; H384-E476 IonicContact CE1-OE2 3.48Å; H384-E476 PolarHBondContact CE1-OE2 2.85Å; H384-E476 VanDerWaalsContact CE1-OE2 3.23Å; H384-E476 IonicContact ND1-OE1 3.49Å; H384-E476 IonicContact ND1-OE2 2.61Å; R460-E476 IonicContact NE-OE2 3.05Å; A461-E476 CarbonylContact O-C 3.58Å; A461-E476 VanDerWaalsContact O-CA 3.3Å; A461-E476 WeakPolarHBondContact O-CA 3.44Å; V462-E476 HydrophobicContact CG2-CG 4.1Å; V462-E476 WeakPolarHBondContact CG2-OE1 3.34Å |
| 477 | A | 93.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F339 F344 A461 | F339-A477 HydrophobicContact CB-CB 4.03Å; F339-A477 HydrophobicContact CD1-CB 3.79Å; F339-A477 HydrophobicContact CD2-CB 3.56Å; F339-A477 HydrophobicContact CE1-CB 4.01Å; F339-A477 HydrophobicContact CE2-CB 3.81Å; F339-A477 HydrophobicContact CG-CB 3.54Å; F339-A477 HydrophobicContact CZ-CB 4.03Å; F344-A477 HydrophobicContact CD2-CB 4.02Å; F344-A477 HydrophobicContact CE2-CB 3.91Å; A461-A477 PolarHBondContact N-O 3.27Å; A461-A477 PolarHBondContact O-N 2.83Å |
| 478 | T | 92.9 | Very high | 86.7 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.2 | 171.6 | -35.5 | 0 | 0 | 0 | 0 | 109.3 | P342 I343 F344 R458 R460 | P342-T478 PolarHBondContact O-N 3.48Å; P342-T478 PolarHBondContact O-OG1 2.8Å; I343-T478 CarbonylContact C-O 3.47Å; I343-T478 WeakPolarHBondContact CA-O 3.4Å; F344-T478 PolarHBondContact N-O 3.11Å; R458-T478 HydrophobicContact CG-CG2 4.29Å; R460-T478 PolarHBondContact NH1-OG1 3.2Å |
| 479 | V | 93.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.9 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | F344 L361 L363 I405 R458 F459 A461 I481 | F344-V479 WeakPolarHBondContact O-CA 3.2Å; L361-V479 HydrophobicContact CD2-CG1 3.79Å; L363-V479 HydrophobicContact CD2-CG2 3.98Å; I405-V479 HydrophobicContact CD1-CB 4.49Å; I405-V479 HydrophobicContact CD1-CG1 3.73Å; I405-V479 HydrophobicContact CD1-CG2 4.02Å; R458-V479 WeakPolarHBondContact CA-O 3.27Å; F459-V479 HydrophobicContact CD1-CB 4.39Å; F459-V479 HydrophobicContact CD1-CG1 4.49Å; F459-V479 HydrophobicContact CD2-CB 3.86Å; F459-V479 HydrophobicContact CD2-CG1 4.46Å; F459-V479 HydrophobicContact CD2-CG2 4.27Å; F459-V479 HydrophobicContact CE1-CB 4.11Å; F459-V479 HydrophobicContact CE1-CG1 3.77Å; F459-V479 HydrophobicContact CE2-CB 3.51Å; F459-V479 HydrophobicContact CE2-CG1 3.71Å; F459-V479 HydrophobicContact CE2-CG2 3.81Å; F459-V479 HydrophobicContact CG-CB 4.31Å; F459-V479 HydrophobicContact CZ-CB 3.68Å; F459-V479 HydrophobicContact CZ-CG1 3.34Å; F459-V479 HydrophobicContact CZ-CG2 4.33Å; F459-V479 PolarHBondContact N-O 3.31Å; F459-V479 VanDerWaalsContact N-O 3.1Å; F459-V479 PolarHBondContact O-N 3.31Å; A461-V479 HydrophobicContact CB-CG2 3.8Å; V479-I481 HydrophobicContact CG1-CD1 4.44Å; V479-I481 HydrophobicContact CG1-CG1 4.1Å |
| 480 | I | 90.8 | Very high | 86.1 | Confident | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.2 | 173.2 | -54.8 | 177.1 | 0 | 0 | 0 | 108 | I343 F344 T345 T346 Q456 F457 | I343-I480 HydrophobicContact CG2-CD1 3.85Å; I343-I480 HydrophobicContact CG2-CG1 4.22Å; F344-I480 PolarHBondContact O-N 3.13Å; T345-I480 WeakPolarHBondContact CA-O 3.37Å; T346-I480 PolarHBondContact N-O 3.25Å; Q456-I480 HydrophobicContact CG-CG2 3.72Å; F457-I480 WeakPolarHBondContact O-CA 3.31Å |
| 481 | I | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124 | 172.3 | -57.8 | 175.8 | 0 | 0 | 0 | 107.4 | T346 I350 V360 F397 I405 F457 F459 V479 V483 | T346-I481 HydrophobicContact CG2-CB 4.48Å; T346-I481 HydrophobicContact CG2-CG1 4.35Å; T346-I481 HydrophobicContact CG2-CG2 4.1Å; I350-I481 HydrophobicContact CD1-CG2 3.72Å; I350-I481 HydrophobicContact CG1-CG2 4.21Å; V360-I481 HydrophobicContact CG2-CD1 4.01Å; F397-I481 HydrophobicContact CD1-CD1 3.81Å; F397-I481 HydrophobicContact CD2-CD1 4.11Å; F397-I481 HydrophobicContact CE1-CD1 3.73Å; F397-I481 HydrophobicContact CE1-CG2 4.2Å; F397-I481 HydrophobicContact CE2-CD1 4.04Å; F397-I481 HydrophobicContact CG-CD1 4.01Å; F397-I481 HydrophobicContact CZ-CB 4.32Å; F397-I481 HydrophobicContact CZ-CD1 3.86Å; F397-I481 HydrophobicContact CZ-CG2 3.82Å; I405-I481 HydrophobicContact CG2-CD1 4.14Å; F457-I481 HydrophobicContact CB-CB 4.39Å; F457-I481 PolarHBondContact N-O 3.3Å; F457-I481 PolarHBondContact O-N 3.45Å; F459-I481 HydrophobicContact CE1-CD1 3.9Å; F459-I481 HydrophobicContact CE1-CG1 4.31Å; F459-I481 HydrophobicContact CZ-CD1 4.01Å; V479-I481 HydrophobicContact CG1-CD1 4.44Å; V479-I481 HydrophobicContact CG1-CG1 4.1Å; I481-V483 HydrophobicContact CG2-CG2 4.23Å |
| 482 | L | 85.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.2 | 172.4 | -64.7 | 171.6 | 0 | 0 | 0 | 108.2 | P349 I350 Q456 | P349-L482 CarbonylContact C-O 3.39Å; P349-L482 VanDerWaalsContact CA-O 3.31Å; P349-L482 WeakPolarHBondContact CA-O 3.41Å; P349-L482 HydrophobicContact CB-CB 4.19Å; P349-L482 HydrophobicContact CG-CB 4.34Å; I350-L482 PolarHBondContact N-O 2.82Å; Q456-L482 HydrophobicContact CB-CD2 3.86Å; Q456-L482 HydrophobicContact CG-CD2 3.93Å |
| 483 | V | 84.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.9 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I350 E352 F397 L411 V413 N454 V455 F457 I481 | I350-V483 HydrophobicContact CD1-CG2 4.18Å; I350-V483 HydrophobicContact CG1-CB 4.45Å; I350-V483 HydrophobicContact CG1-CG2 3.89Å; I350-V483 CarbonylContact O-C 3.5Å; I350-V483 WeakPolarHBondContact O-CA 3.18Å; I350-V483 WeakPolarHBondContact O-CG1 3.36Å; E352-V483 HydrophobicContact CB-CG1 3.84Å; F397-V483 HydrophobicContact CZ-CG2 4.43Å; L411-V483 HydrophobicContact CD1-CG1 4Å; L411-V483 HydrophobicContact CD1-CG2 4.04Å; V413-V483 HydrophobicContact CG2-CB 4.36Å; V413-V483 HydrophobicContact CG2-CG1 3.68Å; N454-V483 CarbonylContact C-O 3.23Å; N454-V483 WeakPolarHBondContact CA-O 3.09Å; V455-V483 PolarHBondContact N-O 2.89Å; V455-V483 PolarHBondContact O-N 3.4Å; F457-V483 HydrophobicContact CD2-CG2 3.76Å; F457-V483 HydrophobicContact CE2-CB 4.13Å; F457-V483 HydrophobicContact CE2-CG2 3.49Å; F457-V483 VanDerWaalsContact CE2-CG2 3.49Å; I481-V483 HydrophobicContact CG2-CG2 4.23Å |
| 484 | T | 79.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 34 Ų | 34 | 17% | 0.172 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139 | 166.2 | 35 | 0 | 0 | 0 | 0 | 110.1 | P349 I350 A351 E352 V453 N454 | P349-T484 HydrophobicContact CB-CG2 3.74Å; P349-T484 HydrophobicContact CG-CG2 4.3Å; I350-T484 PolarHBondContact O-N 2.82Å; I350-T484 PolarHBondContact O-OG1 2.66Å; A351-T484 WeakPolarHBondContact CA-OG1 3.35Å; E352-T484 PolarHBondContact N-O 2.87Å; E352-T484 VanDerWaalsContact N-O 3.16Å; V453-T484 HydrophobicContact CG1-CG2 4.4Å; N454-T484 WeakPolarHBondContact OD1-CG2 3.04Å |
| 485 | D | 75 | Confident | 84.8 | Confident | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | trans | -62.3 | 139.8 | 159 | -158.9 | 92.8 | 0 | 0 | 0 | 109.7 | E352 F541 | E352-D485 VanDerWaalsContact OE1-CA 3.26Å; E352-D485 WeakPolarHBondContact OE1-CA 3.4Å; D485-F541 HydrophobicContact CB-CB 4.27Å; D485-F541 VanDerWaalsContact CG-N 3.3Å; D485-F541 VanDerWaalsContact OD1-CB 3.26Å; D485-F541 WeakPolarHBondContact OD1-CB 3.19Å; D485-F541 PolarHBondContact OD1-N 3.25Å; D485-F541 WeakPolarHBondContact OD2-CA 3.31Å; D485-F541 PolarHBondContact OD2-N 2.75Å | ||
| 486 | E | 75.6 | Confident | 84.1 | Confident | 85 Ų | 85 | 34 Ų | 34 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | trans | -127.1 | 146.3 | 168.1 | -61.1 | -80 | 156 | 0 | 0 | 108.7 | A351 E352 T353 D488 | A351-E486 HydrophobicContact CB-CG 3.73Å; A351-E486 WeakPolarHBondContact CB-OE1 3.49Å; E352-E486 PolarHBondContact OE1-N 3.21Å; T353-E486 HydrophobicContact CG2-CB 4.34Å; T353-E486 HydrophobicContact CG2-CG 4.45Å; E486-D488 VanDerWaalsContact O-CB 3.29Å; E486-D488 WeakPolarHBondContact O-CB 3.35Å; E486-D488 PolarHBondContact O-N 3.4Å | ||
| 487 | N | 74.8 | Confident | 83 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -70.5 | 95.5 | 179.2 | -167.6 | 154.7 | 0 | 0 | 0 | 109.5 | D540 D605 V607 H609 | N487-D540 VanDerWaalsContact C-OD2 3.31Å; N487-D540 WeakPolarHBondContact CA-OD2 3.44Å; N487-D540 VanDerWaalsContact CG-OD2 3.3Å; N487-D540 PolarHBondContact ND2-OD2 2.86Å; N487-D605 PolarHBondContact ND2-OD2 3.34Å; N487-D605 PolarHBondContact OD1-OD2 2.83Å; N487-V607 HydrophobicContact CB-CG2 4.26Å; N487-V607 WeakPolarHBondContact OD1-CG2 3.31Å; N487-H609 PolarHBondContact ND2-ND1 3.21Å; N487-H609 PolarHBondContact O-CE1 3.07Å |
| 488 | D | 76.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 45% | 0.449 | 18% | 0.179 | S | C | . | . | trans | -135.1 | -26.7 | -158.8 | 165 | -80.3 | 0 | 0 | 0 | 113.3 | T353 E486 D540 | T353-D488 WeakPolarHBondContact CG2-OD2 3.45Å; E486-D488 VanDerWaalsContact O-CB 3.29Å; E486-D488 WeakPolarHBondContact O-CB 3.35Å; E486-D488 PolarHBondContact O-N 3.4Å; D488-D540 PolarHBondContact N-OD2 2.73Å | ||
| 489 | E | 76.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 35.8 Ų | 35.8 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -83.3 | -151.5 | 165.7 | -54.6 | -144.7 | 131.7 | 0 | 0 | 110.7 | K415 P539 D540 | K415-E489 IonicContact NZ-OE1 2.91Å; K415-E489 PolarHBondContact NZ-OE1 3.07Å; K415-E489 IonicContact NZ-OE2 3.98Å; E489-P539 HydrophobicContact CB-CB 4.27Å; E489-P539 HydrophobicContact CB-CG 3.97Å; E489-P539 HydrophobicContact CG-CB 4.44Å; E489-P539 WeakPolarHBondContact OE2-CB 3.48Å; E489-P539 WeakPolarHBondContact OE2-CG 3.05Å; E489-D540 VanDerWaalsContact CB-OD1 3.32Å; E489-D540 WeakPolarHBondContact CB-OD1 3.12Å; E489-D540 PolarHBondContact N-OD1 2.7Å |
| 490 | S | 82.9 | Confident | 78.5 | Confident | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | trans | -159 | 152.5 | -179.3 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | V492 | S490-V492 PolarHBondContact O-N 2.04Š| ||
| 491 | P | 85.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -52.5 | 123.5 | -170.8 | -29 | 30.3 | 0 | 0 | 0 | 114.6 | I493 D538 V547 C603 D605 T611 | P491-I493 PolarHBondContact O-N 3.06Å; P491-D538 WeakPolarHBondContact CA-OD1 3.12Å; P491-D538 VanDerWaalsContact CD-OD1 3.27Å; P491-D538 WeakPolarHBondContact CD-OD1 3.16Å; P491-D538 VanDerWaalsContact N-OD1 3.13Å; P491-V547 HydrophobicContact CB-CG1 3.7Å; P491-V547 HydrophobicContact CB-CG2 4.01Å; P491-V547 HydrophobicContact CG-CG1 4.12Å; P491-V547 HydrophobicContact CG-CG2 4.21Å; P491-C603 HydrophobicContact CB-CB 4.18Å; P491-D605 HydrophobicContact CG-CB 4.09Å; P491-T611 WeakPolarHBondContact O-CB 3.26Å; P491-T611 PolarHBondContact O-OG1 2.92Å | ||
| 492 | V | 83.3 | Confident | 74.7 | Confident | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 109.2 | -175.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | S490 S494 A536 Y537 P539 | S490-V492 PolarHBondContact O-N 2.04Å; V492-S494 PolarHBondContact O-N 2.87Å; V492-A536 WeakPolarHBondContact O-CA 3.1Å; V492-Y537 HydrophobicContact CB-CD1 4.29Å; V492-Y537 HydrophobicContact CB-CE1 3.76Å; V492-Y537 HydrophobicContact CB-CE2 4.18Å; V492-Y537 HydrophobicContact CG1-CE1 3.81Å; V492-Y537 HydrophobicContact CG2-CE2 4.3Å; V492-Y537 PolarHBondContact N-O 2.96Å; V492-P539 HydrophobicContact CG2-CG 3.83Å |
| 493 | I | 87.9 | Confident | 72.5 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 109.8 | 178.8 | -49.5 | -179.2 | 0 | 0 | 0 | 110.9 | P491 L495 V534 I601 C603 T611 R613 | P491-I493 PolarHBondContact O-N 3.06Å; I493-L495 HydrophobicContact CG2-CD2 4.37Å; I493-V534 HydrophobicContact CG2-CG1 3.86Å; I493-I601 HydrophobicContact CD1-CB 4.5Å; I493-I601 HydrophobicContact CD1-CG2 4.1Å; I493-C603 HydrophobicContact CD1-CB 3.83Å; I493-C603 WeakPolarHBondContact CD1-SG 3.38Å; I493-C603 HydrophobicContact CG1-CB 3.92Å; I493-C603 VanDerWaalsContact CG1-SG 3.6Å; I493-T611 HydrophobicContact CD1-CG2 3.94Å; I493-T611 WeakPolarHBondContact CD1-O 3.5Å; I493-T611 HydrophobicContact CG1-CG2 3.96Å; I493-R613 HydrophobicContact CB-CB 4.27Å; I493-R613 HydrophobicContact CD1-CB 3.96Å; I493-R613 HydrophobicContact CG2-CB 4.2Å; I493-R613 PolarHBondContact O-NH1 2.88Å |
| 494 | S | 83.2 | Confident | 70.4 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 159.9 | 166.5 | 95.2 | 0 | 0 | 0 | 0 | 111.2 | V492 Q535 | V492-S494 PolarHBondContact O-N 2.87Å; S494-Q535 PolarHBondContact N-O 2.92Å; S494-Q535 PolarHBondContact O-N 3.28Å; S494-Q535 VanDerWaalsContact O-N 3.11Å; S494-Q535 WeakPolarHBondContact OG-CB 3.44Å; S494-Q535 PolarHBondContact OG-O 3.12Å; S494-Q535 PolarHBondContact OG-OE1 3.44Å; S494-Q535 VanDerWaalsContact OG-OE1 3.07Å |
| 495 | L | 84 | Confident | 68.6 | Low | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.9 | 179.7 | -58.9 | 173.2 | 0 | 0 | 0 | 110.4 | I493 F519 T533 V534 I601 R613 I615 | I493-L495 HydrophobicContact CG2-CD2 4.37Å; L495-F519 HydrophobicContact CB-CE2 4.49Å; L495-F519 HydrophobicContact CB-CZ 3.74Å; L495-F519 HydrophobicContact CD1-CE2 3.81Å; L495-F519 HydrophobicContact CD1-CZ 3.9Å; L495-F519 HydrophobicContact CG-CZ 4.43Å; L495-T533 WeakPolarHBondContact CA-O 3.44Å; L495-V534 HydrophobicContact CD2-CB 4.15Å; L495-V534 HydrophobicContact CD2-CG1 3.95Å; L495-V534 HydrophobicContact CD2-CG2 3.81Å; L495-I601 HydrophobicContact CD2-CD1 4.16Å; L495-R613 HydrophobicContact CD1-CG 4.44Å; L495-I615 HydrophobicContact CD1-CD1 3.45Å; L495-I615 VanDerWaalsContact CD1-CD1 3.45Å; L495-I615 HydrophobicContact CD1-CG1 3.65Å; L495-I615 HydrophobicContact CD2-CD1 3.75Å; L495-I615 HydrophobicContact CG-CD1 4.28Å |
| 496 | L | 77.6 | Confident | 67 | Low | 82 Ų | 82 | 60.3 Ų | 60.3 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.8 | 172.7 | -60.5 | 177.2 | 0 | 0 | 0 | 109.2 | T533 Q535 | L496-T533 PolarHBondContact N-O 3.33Å; L496-T533 PolarHBondContact O-N 3.27Å; L496-Q535 HydrophobicContact CD1-CG 4.4Å |
| 497 | P | 70.6 | Confident | 65.4 | Low | 26 Ų | 26 | 61.3 Ų | 61.3 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.2 | 175.3 | 30.3 | -34.6 | 0 | 0 | 0 | 110.7 | P499 I502 F516 F519 | P497-P499 WeakPolarHBondContact O-CD 3.38Å; P497-I502 HydrophobicContact CB-CD1 3.83Å; P497-I502 HydrophobicContact CG-CD1 3.7Å; P497-F516 HydrophobicContact CG-CE1 4.26Å; P497-F516 HydrophobicContact CG-CE2 4.29Å; P497-F516 HydrophobicContact CG-CZ 4.13Å; P497-F519 HydrophobicContact CB-CD1 4.03Å; P497-F519 HydrophobicContact CB-CE1 3.82Å |
| 498 | N | 67.7 | Low | 63.5 | Low | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | trans | -61.5 | 118 | 177.1 | 177.1 | 2.3 | 0 | 0 | 0 | 109.6 | E500 L501 I502 T530 | N498-E500 PolarHBondContact O-N 2.58Å; N498-E500 VanDerWaalsContact O-N 3.15Å; N498-E500 PolarHBondContact OD1-N 2.94Å; N498-E500 VanDerWaalsContact OD1-N 3.12Å; N498-L501 HydrophobicContact CB-CD1 4.24Å; N498-L501 HydrophobicContact CB-CG 4.47Å; N498-L501 PolarHBondContact O-N 3.12Å; N498-L501 VanDerWaalsContact O-N 3.08Å; N498-I502 WeakPolarHBondContact O-CG1 3.45Å; N498-T530 HydrophobicContact CB-CG2 4.46Å; N498-T530 PolarHBondContact ND2-O 2.99Å | ||
| 499 | P | 58.8 | Low | 61.6 | Low | 91 Ų | 91 | 65.2 Ų | 65.2 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61.5 | -23.8 | -176.2 | 24.8 | -35 | 0 | 0 | 0 | 114 | P497 L501 I502 | P497-P499 WeakPolarHBondContact O-CD 3.38Å; P499-L501 PolarHBondContact O-N 3.16Å; P499-I502 PolarHBondContact O-N 2.97Å |
| 500 | E | 58.5 | Low | 59.9 | Low | 173 Ų | 173 | 65.1 Ų | 65.1 | 81% | 0.808 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.8 | 177.7 | -60.5 | -174.5 | 143.3 | 0 | 0 | 113 | N498 I502 | N498-E500 PolarHBondContact O-N 2.58Å; N498-E500 VanDerWaalsContact O-N 3.15Å; N498-E500 PolarHBondContact OD1-N 2.94Å; N498-E500 VanDerWaalsContact OD1-N 3.12Å; E500-I502 VanDerWaalsContact C-N 3.34Å |
| 501 | L | 52.9 | Low | 57.7 | Low | 59 Ų | 59 | 68.9 Ų | 68.9 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -91.7 | 7.4 | 177 | -63.2 | 173.6 | 0 | 0 | 0 | 112.8 | N498 P499 T530 | N498-L501 HydrophobicContact CB-CD1 4.24Å; N498-L501 HydrophobicContact CB-CG 4.47Å; N498-L501 PolarHBondContact O-N 3.12Å; N498-L501 VanDerWaalsContact O-N 3.08Å; P499-L501 PolarHBondContact O-N 3.16Å; L501-T530 WeakPolarHBondContact CD1-O 3.41Å |
| 502 | I | 47.2 | Very low | 55.3 | Low | 44 Ų | 44 | 74.6 Ų | 74.6 | 23% | 0.226 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -116.2 | 113.2 | -173.7 | -53.9 | 175.2 | 0 | 0 | 0 | 109.9 | P497 N498 P499 E500 S504 A506 | P497-I502 HydrophobicContact CB-CD1 3.83Å; P497-I502 HydrophobicContact CG-CD1 3.7Å; N498-I502 WeakPolarHBondContact O-CG1 3.45Å; P499-I502 PolarHBondContact O-N 2.97Å; E500-I502 VanDerWaalsContact C-N 3.34Å; I502-S504 PolarHBondContact O-N 3.19Å; I502-A506 HydrophobicContact CG2-CB 3.71Å |
| 503 | S | 40.4 | Very low | 52.9 | Low | 85 Ų | 85 | 75.1 Ų | 75.1 | 59% | 0.594 | 45% | 0.449 | S | S | * | . | trans | -58.6 | 136 | 169.7 | 72.2 | 0 | 0 | 0 | 0 | 110.1 | N505 A506 | S503-N505 PolarHBondContact O-N 2.99Å; S503-A506 PolarHBondContact O-N 3.22Å | ||
| 504 | S | 41.2 | Very low | 50.8 | Low | 102 Ų | 102 | 82.3 Ų | 82.3 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -51 | -25.6 | -169.9 | 51.3 | 0 | 0 | 0 | 0 | 116.1 | I502 A506 | I502-S504 PolarHBondContact O-N 3.19Å; S504-A506 PolarHBondContact O-N 3.42Å |
| 505 | N | 39.7 | Very low | 49.2 | Very low | 126 Ų | 126 | 84.8 Ų | 84.8 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -70.4 | -10.2 | 177 | -63.2 | -29.9 | 0 | 0 | 0 | 115 | S503 | S503-N505 PolarHBondContact O-N 2.99Š|
| 506 | A | 42.2 | Very low | 47.9 | Very low | 46 Ų | 46 | 86.5 Ų | 86.5 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -99.7 | -8.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | I502 S503 S504 D508 A509 | I502-A506 HydrophobicContact CG2-CB 3.71Å; S503-A506 PolarHBondContact O-N 3.22Å; S504-A506 PolarHBondContact O-N 3.42Å; A506-D508 PolarHBondContact O-N 2.83Å; A506-A509 PolarHBondContact O-N 3.17Å |
| 507 | L | 41.5 | Very low | 47.2 | Very low | 107 Ų | 107 | 85.8 Ų | 85.8 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -69.4 | -32.3 | -177.2 | -162.3 | 68.9 | 0 | 0 | 0 | 112.7 | A509 V510 | L507-A509 VanDerWaalsContact C-N 3.25Å; L507-A509 PolarHBondContact O-N 3.48Å; L507-V510 HydrophobicContact CD1-CG2 4.34Å; L507-V510 VanDerWaalsContact O-CB 3.3Å; L507-V510 WeakPolarHBondContact O-CB 3.41Å; L507-V510 VanDerWaalsContact O-CG2 3.28Å; L507-V510 WeakPolarHBondContact O-CG2 3.16Å; L507-V510 PolarHBondContact O-N 2.73Å |
| 508 | D | 36 | Very low | 47.3 | Very low | 141 Ų | 141 | 90.2 Ų | 90.2 | 75% | 0.754 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -65.6 | -25.3 | -179.9 | -72.3 | -28.4 | 0 | 0 | 0 | 113.4 | A506 V510 T511 | A506-D508 PolarHBondContact O-N 2.83Å; D508-V510 VanDerWaalsContact C-N 3.32Å; D508-T511 PolarHBondContact O-OG1 2.83Å |
| 509 | A | 37 | Very low | 48.2 | Very low | 64 Ų | 64 | 89.5 Ų | 89.5 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -75 | -20.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A506 L507 T511 T512 | A506-A509 PolarHBondContact O-N 3.17Å; L507-A509 VanDerWaalsContact C-N 3.25Å; L507-A509 PolarHBondContact O-N 3.48Å; A509-T511 PolarHBondContact O-N 3.2Å; A509-T511 VanDerWaalsContact O-N 3.07Å; A509-T512 PolarHBondContact O-OG1 2.65Å |
| 510 | V | 40.6 | Very low | 49.4 | Very low | 56 Ų | 56 | 90.1 Ų | 90.1 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -62 | -21.2 | -172.7 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | L507 D508 T512 F516 | L507-V510 HydrophobicContact CD1-CG2 4.34Å; L507-V510 VanDerWaalsContact O-CB 3.3Å; L507-V510 WeakPolarHBondContact O-CB 3.41Å; L507-V510 VanDerWaalsContact O-CG2 3.28Å; L507-V510 WeakPolarHBondContact O-CG2 3.16Å; L507-V510 PolarHBondContact O-N 2.73Å; D508-V510 VanDerWaalsContact C-N 3.32Å; V510-T512 VanDerWaalsContact C-N 3.34Å; V510-T512 PolarHBondContact O-N 2.99Å; V510-F516 HydrophobicContact CG1-CE2 4.5Å; V510-F516 HydrophobicContact CG2-CZ 4.33Å |
| 511 | T | 36.3 | Very low | 50.8 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 73% | 0.73 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -80.3 | 1.6 | -172 | 58.6 | 0 | 0 | 0 | 0 | 116.1 | D508 A509 | D508-T511 PolarHBondContact O-OG1 2.83Å; A509-T511 PolarHBondContact O-N 3.2Å; A509-T511 VanDerWaalsContact O-N 3.07Å |
| 512 | T | 35.9 | Very low | 52.5 | Low | 120 Ų | 120 | 83 Ų | 83 | 74% | 0.736 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -134.1 | -2.1 | -168.6 | 57.4 | 0 | 0 | 0 | 0 | 117.8 | A509 V510 | A509-T512 PolarHBondContact O-OG1 2.65Å; V510-T512 VanDerWaalsContact C-N 3.34Å; V510-T512 PolarHBondContact O-N 2.99Å |
| 513 | S | 32.9 | Very low | 54.6 | Low | 63 Ų | 63 | 80.9 Ų | 80.9 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | trans | -154.3 | 112.8 | 177.1 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | S515 | S513-S515 PolarHBondContact O-N 2.96Š| ||
| 514 | N | 42.8 | Very low | 56.8 | Low | 160 Ų | 160 | 80.6 Ų | 80.6 | 86% | 0.856 | 46% | 0.46 | S | S | * | . | trans | -73.7 | 16.7 | -177 | -68.6 | 7.9 | 0 | 0 | 0 | 115.2 | ||||
| 515 | S | 49.8 | Very low | 58.9 | Low | 84 Ų | 84 | 78.9 Ų | 78.9 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | trans | -113.4 | 50.4 | -167.3 | 66.1 | 0 | 0 | 0 | 0 | 114 | S513 S517 | S513-S515 PolarHBondContact O-N 2.96Å; S515-S517 PolarHBondContact O-N 3.23Å; S515-S517 VanDerWaalsContact O-N 3.17Å | ||
| 516 | F | 57 | Low | 61.3 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | trans | -62.7 | 115.6 | 165.6 | -72 | -75 | 0 | 0 | 0 | 110 | P497 V510 F519 R613 | P497-F516 HydrophobicContact CG-CE1 4.26Å; P497-F516 HydrophobicContact CG-CE2 4.29Å; P497-F516 HydrophobicContact CG-CZ 4.13Å; V510-F516 HydrophobicContact CG1-CE2 4.5Å; V510-F516 HydrophobicContact CG2-CZ 4.33Å; F516-F519 HydrophobicContact CB-CE2 4.22Å; F516-F519 HydrophobicContact CB-CZ 3.8Å; F516-R613 PolarHBondContact O-NH2 2.76Å | ||
| 517 | S | 63.5 | Low | 63.4 | Low | 67 Ų | 67 | 78.8 Ų | 78.8 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | trans | -123.2 | -9.5 | -180 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | S515 T616 | S515-S517 PolarHBondContact O-N 3.23Å; S515-S517 VanDerWaalsContact O-N 3.17Å; S517-T616 PolarHBondContact O-N 2.62Å | ||
| 518 | Y | 72.7 | Confident | 65.6 | Low | 118 Ų | 118 | 75.5 Ų | 75.5 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.3 | 175 | 54.2 | -97.2 | 0 | 0 | 0 | 110.7 | W520 T616 | Y518-W520 AromaticContact CD2-CE2 3.87Å; Y518-W520 AromaticContact CD2-CH2 3.68Å; Y518-W520 HydrophobicContact CD2-CH2 3.68Å; Y518-W520 AromaticContact CD2-CZ2 3.36Å; Y518-W520 HydrophobicContact CD2-CZ2 3.36Å; Y518-W520 HydrophobicContact CD2-CZ3 4.43Å; Y518-W520 AromaticContact CE2-CH2 3.99Å; Y518-W520 HydrophobicContact CE2-CH2 3.99Å; Y518-W520 AromaticContact CE2-CZ2 3.42Å; Y518-W520 HydrophobicContact CE2-CZ2 3.42Å; Y518-W520 VanDerWaalsContact CE2-CZ2 3.42Å; Y518-W520 HydrophobicContact CG-CH2 4.41Å; Y518-W520 HydrophobicContact CG-CZ2 4.47Å; Y518-T616 VanDerWaalsContact CA-O 3.29Å; Y518-T616 WeakPolarHBondContact CA-O 3.45Å |
| 519 | F | 85.3 | Confident | 68.1 | Low | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.022 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.6 | 171.8 | -63 | -101.4 | 0 | 0 | 0 | 108.5 | L495 P497 F516 V531 A532 I615 T616 R618 | L495-F519 HydrophobicContact CB-CE2 4.49Å; L495-F519 HydrophobicContact CB-CZ 3.74Å; L495-F519 HydrophobicContact CD1-CE2 3.81Å; L495-F519 HydrophobicContact CD1-CZ 3.9Å; L495-F519 HydrophobicContact CG-CZ 4.43Å; P497-F519 HydrophobicContact CB-CD1 4.03Å; P497-F519 HydrophobicContact CB-CE1 3.82Å; F516-F519 HydrophobicContact CB-CE2 4.22Å; F516-F519 HydrophobicContact CB-CZ 3.8Å; F519-V531 HydrophobicContact CB-CG1 3.86Å; F519-A532 HydrophobicContact CD1-CB 3.71Å; F519-A532 HydrophobicContact CE1-CB 3.67Å; F519-A532 HydrophobicContact CG-CB 4.42Å; F519-A532 HydrophobicContact CZ-CB 4.36Å; F519-I615 HydrophobicContact CD2-CG2 3.32Å; F519-I615 HydrophobicContact CE2-CG2 3.63Å; F519-I615 HydrophobicContact CG-CG2 4.4Å; F519-T616 PolarHBondContact N-O 3.16Å; F519-R618 PolarHBondContact O-N 2.84Å |
| 520 | W | 83.6 | Confident | 70.5 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.9 | -175.4 | -28 | 96.9 | 0 | 0 | 0 | 109.9 | Y518 R618 L620 | Y518-W520 AromaticContact CD2-CE2 3.87Å; Y518-W520 AromaticContact CD2-CH2 3.68Å; Y518-W520 HydrophobicContact CD2-CH2 3.68Å; Y518-W520 AromaticContact CD2-CZ2 3.36Å; Y518-W520 HydrophobicContact CD2-CZ2 3.36Å; Y518-W520 HydrophobicContact CD2-CZ3 4.43Å; Y518-W520 AromaticContact CE2-CH2 3.99Å; Y518-W520 HydrophobicContact CE2-CH2 3.99Å; Y518-W520 AromaticContact CE2-CZ2 3.42Å; Y518-W520 HydrophobicContact CE2-CZ2 3.42Å; Y518-W520 VanDerWaalsContact CE2-CZ2 3.42Å; Y518-W520 HydrophobicContact CG-CH2 4.41Å; Y518-W520 HydrophobicContact CG-CZ2 4.47Å; W520-R618 WeakPolarHBondContact CA-O 3.35Å; W520-R618 HydrophobicContact CE3-CB 3.98Å; W520-R618 HydrophobicContact CE3-CG 4.4Å; W520-R618 HydrophobicContact CZ3-CB 4.32Å; W520-L620 HydrophobicContact CB-CD1 3.91Å; W520-L620 HydrophobicContact CB-CD2 4.42Å; W520-L620 HydrophobicContact CB-CG 4.14Å; W520-L620 HydrophobicContact CE3-CD2 4.36Å |
| 521 | V | 88.3 | Confident | 72.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 140.2 | 168.3 | 68.8 | 0 | 0 | 0 | 0 | 107.8 | Q525 T529 V531 T585 L589 V617 R618 I619 L620 | V521-Q525 HydrophobicContact CG2-CG 4.4Å; V521-T529 HydrophobicContact CG2-CG2 4.26Å; V521-V531 HydrophobicContact CB-CG2 4.24Å; V521-V531 HydrophobicContact CG2-CG2 4.22Å; V521-T585 HydrophobicContact CG2-CG2 4.47Å; V521-L589 HydrophobicContact CG1-CD1 3.67Å; V521-V617 HydrophobicContact CG1-CG1 3.69Å; V521-R618 PolarHBondContact N-O 2.97Å; V521-I619 HydrophobicContact CG1-CG1 4.34Å; V521-I619 CarbonylContact O-C 3.48Å; V521-I619 WeakPolarHBondContact O-CA 3.33Å; V521-L620 PolarHBondContact O-N 2.84Å |
| 522 | F | 88.9 | Confident | 75.2 | Confident | 81 Ų | 81 | 60.4 Ų | 60.4 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 152.5 | 170.2 | -68.4 | -88.5 | 0 | 0 | 0 | 110.1 | Q525 L620 E622 | F522-Q525 HydrophobicContact CB-CG 3.88Å; F522-Q525 WeakPolarHBondContact O-CG 3.08Å; F522-L620 HydrophobicContact CD1-CB 3.67Å; F522-L620 HydrophobicContact CD1-CD1 4.29Å; F522-L620 HydrophobicContact CD2-CD1 4.28Å; F522-L620 HydrophobicContact CE1-CB 3.92Å; F522-L620 HydrophobicContact CE1-CD1 3.97Å; F522-L620 HydrophobicContact CE2-CD1 3.95Å; F522-L620 HydrophobicContact CG-CB 4.13Å; F522-L620 HydrophobicContact CG-CD1 4.44Å; F522-L620 HydrophobicContact CZ-CD1 3.79Å; F522-E622 HydrophobicContact CB-CG 4.38Å; F522-E622 HydrophobicContact CD1-CG 4.26Å; F522-E622 VanDerWaalsContact CD1-OE1 3.24Å; F522-E622 WeakPolarHBondContact CD1-OE1 3.5Å |
| 523 | E | 90.5 | Very high | 77.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 174.9 | 166.2 | 69.1 | -163.6 | 121.3 | 0 | 0 | 112.2 | Q525 L589 R591 I619 L620 D621 E622 | E523-Q525 PolarHBondContact O-N 2.85Å; E523-L589 WeakPolarHBondContact CB-O 3.42Å; E523-R591 HydrophobicContact CB-CB 4.48Å; E523-R591 VanDerWaalsContact OE1-CB 3.25Å; E523-R591 WeakPolarHBondContact OE1-CB 3.02Å; E523-R591 WeakPolarHBondContact OE2-CB 3.4Å; E523-R591 PolarHBondContact OE2-N 3.14Å; E523-I619 HydrophobicContact CB-CG2 3.74Å; E523-L620 PolarHBondContact N-O 3.22Å; E523-L620 VanDerWaalsContact N-O 3.09Å; E523-D621 VanDerWaalsContact OE1-CA 3.31Å; E523-D621 WeakPolarHBondContact OE1-CA 3.24Å; E523-E622 HydrophobicContact CG-CB 3.91Å; E523-E622 HydrophobicContact CG-CG 4.07Å; E523-E622 PolarHBondContact OE1-N 2.88Å |
| 524 | N | 88.2 | Confident | 80.2 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -0.6 | -176.2 | -73.2 | -55.9 | 0 | 0 | 0 | 116.2 | L589 D624 | N524-L589 PolarHBondContact N-O 2.9Å; N524-D624 PolarHBondContact ND2-OD2 2.79Å |
| 525 | Q | 85.1 | Confident | 82.3 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 143 | 174.5 | -66.1 | -61.5 | -45 | 0 | 0 | 111.1 | V521 F522 E523 T529 | V521-Q525 HydrophobicContact CG2-CG 4.4Å; F522-Q525 HydrophobicContact CB-CG 3.88Å; F522-Q525 WeakPolarHBondContact O-CG 3.08Å; E523-Q525 PolarHBondContact O-N 2.85Å; Q525-T529 HydrophobicContact CB-CG2 4.29Å |
| 526 | P | 89.5 | Confident | 83.9 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 160.5 | -175.7 | 25.9 | -34.3 | 0 | 0 | 0 | 112.5 | G528 T529 T585 | P526-G528 PolarHBondContact O-N 2.8Å; P526-T529 PolarHBondContact O-N 3.32Å; P526-T529 PolarHBondContact O-OG1 2.9Å; P526-T585 PolarHBondContact O-OG1 2.86Å |
| 527 | V | 87.3 | Confident | 85.1 | Confident | 90 Ų | 90 | 44.6 Ų | 44.6 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 129.7 | 170 | -179 | 0 | 0 | 0 | 0 | 108.7 | I588 | V527-I588 HydrophobicContact CG2-CG1 4.37Š|
| 528 | G | 87.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P526 T530 I584 T585 | P526-G528 PolarHBondContact O-N 2.8Å; G528-T530 PolarHBondContact O-N 3.4Å; G528-I584 WeakPolarHBondContact O-CG2 3.32Å; G528-T585 PolarHBondContact N-O 2.86Å; G528-T585 PolarHBondContact N-OG1 3.32Å |
| 529 | T | 88.5 | Confident | 85.8 | Confident | 27 Ų | 27 | 37 Ų | 37 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | trans | -69.1 | 120.7 | 179.3 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | V521 Q525 P526 V531 I584 T585 | V521-T529 HydrophobicContact CG2-CG2 4.26Å; Q525-T529 HydrophobicContact CB-CG2 4.29Å; P526-T529 PolarHBondContact O-N 3.32Å; P526-T529 PolarHBondContact O-OG1 2.9Å; T529-V531 PolarHBondContact O-N 2.76Å; T529-I584 VanDerWaalsContact O-CA 3.31Å; T529-I584 WeakPolarHBondContact O-CA 3.32Å; T529-T585 PolarHBondContact N-OG1 3.04Å; T529-T585 PolarHBondContact O-N 3.2Å | ||
| 530 | T | 87.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.4 | -178.9 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | N498 L501 G528 H582 | N498-T530 HydrophobicContact CB-CG2 4.46Å; N498-T530 PolarHBondContact ND2-O 2.99Å; L501-T530 WeakPolarHBondContact CD1-O 3.41Å; G528-T530 PolarHBondContact O-N 3.4Å; T530-H582 HydrophobicContact CG2-CB 4.09Å |
| 531 | V | 87.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -41 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | F519 V521 T529 F556 L583 T585 V617 | F519-V531 HydrophobicContact CB-CG1 3.86Å; V521-V531 HydrophobicContact CB-CG2 4.24Å; V521-V531 HydrophobicContact CG2-CG2 4.22Å; T529-V531 PolarHBondContact O-N 2.76Å; V531-F556 HydrophobicContact CG2-CD1 4.4Å; V531-F556 HydrophobicContact CG2-CE1 4.1Å; V531-L583 PolarHBondContact N-O 2.8Å; V531-T585 HydrophobicContact CG2-CG2 4.41Å; V531-V617 HydrophobicContact CG1-CG1 4.17Å; V531-V617 HydrophobicContact CG1-CG2 4.22Å |
| 532 | A | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F519 L583 | F519-A532 HydrophobicContact CD1-CB 3.71Å; F519-A532 HydrophobicContact CE1-CB 3.67Å; F519-A532 HydrophobicContact CG-CB 4.42Å; F519-A532 HydrophobicContact CZ-CB 4.36Å; A532-L583 HydrophobicContact CB-CB 4.46Å; A532-L583 PolarHBondContact O-N 2.93Å |
| 533 | T | 86.5 | Confident | 79.9 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.5 | 162.1 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | L495 L496 Q535 Y581 H582 | L495-T533 WeakPolarHBondContact CA-O 3.44Å; L496-T533 PolarHBondContact N-O 3.33Å; L496-T533 PolarHBondContact O-N 3.27Å; T533-Q535 HydrophobicContact CG2-CG 4.33Å; T533-Y581 WeakPolarHBondContact CA-O 3.47Å; T533-H582 PolarHBondContact OG1-CE1 3.33Å; T533-H582 VanDerWaalsContact OG1-CE1 3.31Å; T533-H582 PolarHBondContact OG1-ND1 2.98Å; T533-H582 VanDerWaalsContact OG1-ND1 3.13Å |
| 534 | V | 87.8 | Confident | 78 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.9 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 106.4 | I493 L495 L558 E580 Y581 L583 I601 | I493-V534 HydrophobicContact CG2-CG1 3.86Å; L495-V534 HydrophobicContact CD2-CB 4.15Å; L495-V534 HydrophobicContact CD2-CG1 3.95Å; L495-V534 HydrophobicContact CD2-CG2 3.81Å; V534-L558 HydrophobicContact CG2-CD2 3.97Å; V534-E580 CarbonylContact O-C 3.48Å; V534-E580 WeakPolarHBondContact O-CA 3.35Å; V534-Y581 PolarHBondContact N-O 3.19Å; V534-Y581 PolarHBondContact O-N 2.98Å; V534-L583 HydrophobicContact CG2-CB 4.17Å; V534-I601 HydrophobicContact CB-CD1 4.32Å; V534-I601 HydrophobicContact CG1-CD1 3.83Å; V534-I601 HydrophobicContact CG1-CG2 4.47Å; V534-I601 HydrophobicContact CG2-CD1 3.5Å |
| 535 | Q | 86 | Confident | 76.4 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.5 | 174.2 | -37.3 | 170.7 | -65.4 | 0 | 0 | 107.8 | S494 L496 T533 L578 E580 | S494-Q535 PolarHBondContact N-O 2.92Å; S494-Q535 PolarHBondContact O-N 3.28Å; S494-Q535 VanDerWaalsContact O-N 3.11Å; S494-Q535 WeakPolarHBondContact OG-CB 3.44Å; S494-Q535 PolarHBondContact OG-O 3.12Å; S494-Q535 PolarHBondContact OG-OE1 3.44Å; S494-Q535 VanDerWaalsContact OG-OE1 3.07Å; L496-Q535 HydrophobicContact CD1-CG 4.4Å; T533-Q535 HydrophobicContact CG2-CG 4.33Å; Q535-L578 HydrophobicContact CB-CD1 3.81Å; Q535-L578 HydrophobicContact CB-CD2 4.36Å; Q535-L578 HydrophobicContact CB-CG 4.17Å; Q535-E580 HydrophobicContact CB-CG 4.42Å; Q535-E580 HydrophobicContact CG-CG 4.2Å; Q535-E580 PolarHBondContact NE2-OE1 3.16Å |
| 536 | A | 84.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V492 V547 T579 C603 | V492-A536 WeakPolarHBondContact O-CA 3.1Å; A536-V547 HydrophobicContact CB-CG1 3.81Å; A536-T579 PolarHBondContact N-O 2.9Å; A536-T579 PolarHBondContact O-N 3.48Å; A536-C603 HydrophobicContact CB-CB 4.45Å |
| 537 | Y | 81.2 | Confident | 75 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.3 | 176.3 | 68.1 | -85.2 | 0 | 0 | 0 | 108.8 | V492 L578 | V492-Y537 HydrophobicContact CB-CD1 4.29Å; V492-Y537 HydrophobicContact CB-CE1 3.76Å; V492-Y537 HydrophobicContact CB-CE2 4.18Å; V492-Y537 HydrophobicContact CG1-CE1 3.81Å; V492-Y537 HydrophobicContact CG2-CE2 4.3Å; V492-Y537 PolarHBondContact N-O 2.96Å; Y537-L578 HydrophobicContact CD1-CD1 3.96Å; Y537-L578 HydrophobicContact CG-CD1 4.42Å |
| 538 | D | 78.4 | Confident | 75 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | trans | -92 | 140.7 | 166.7 | -99.4 | -48.7 | 0 | 0 | 0 | 111.2 | P491 V547 N576 D605 | P491-D538 WeakPolarHBondContact CA-OD1 3.12Å; P491-D538 VanDerWaalsContact CD-OD1 3.27Å; P491-D538 WeakPolarHBondContact CD-OD1 3.16Å; P491-D538 VanDerWaalsContact N-OD1 3.13Å; D538-V547 HydrophobicContact CB-CG2 4.33Å; D538-V547 WeakPolarHBondContact OD2-CG2 3.42Å; D538-N576 PolarHBondContact O-ND2 3.26Å; D538-D605 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 539 | P | 72.8 | Confident | 75.2 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | trans | -68.8 | -40 | 170.7 | -19.4 | 34.4 | 0 | 0 | 0 | 113.2 | D414 E489 V492 N576 | D414-P539 HydrophobicContact CB-CB 4.42Å; E489-P539 HydrophobicContact CB-CB 4.27Å; E489-P539 HydrophobicContact CB-CG 3.97Å; E489-P539 HydrophobicContact CG-CB 4.44Å; E489-P539 WeakPolarHBondContact OE2-CB 3.48Å; E489-P539 WeakPolarHBondContact OE2-CG 3.05Å; V492-P539 HydrophobicContact CG2-CG 3.83Å; P539-N576 PolarHBondContact O-ND2 2.82Å | ||
| 540 | D | 70.2 | Confident | 75.2 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -56 | 144.8 | -170.5 | -52.6 | -2.6 | 0 | 0 | 0 | 113.3 | N487 D488 E489 | N487-D540 VanDerWaalsContact C-OD2 3.31Å; N487-D540 WeakPolarHBondContact CA-OD2 3.44Å; N487-D540 VanDerWaalsContact CG-OD2 3.3Å; N487-D540 PolarHBondContact ND2-OD2 2.86Å; D488-D540 PolarHBondContact N-OD2 2.73Å; E489-D540 VanDerWaalsContact CB-OD1 3.32Å; E489-D540 WeakPolarHBondContact CB-OD1 3.12Å; E489-D540 PolarHBondContact N-OD1 2.7Å |
| 541 | F | 56.9 | Low | 75.4 | Confident | 91 Ų | 91 | 43.2 Ų | 43.2 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -102.9 | 92.1 | -170.7 | -172.6 | -95.9 | 0 | 0 | 0 | 113.9 | D485 | D485-F541 HydrophobicContact CB-CB 4.27Å; D485-F541 VanDerWaalsContact CG-N 3.3Å; D485-F541 VanDerWaalsContact OD1-CB 3.26Å; D485-F541 WeakPolarHBondContact OD1-CB 3.19Å; D485-F541 PolarHBondContact OD1-N 3.25Å; D485-F541 WeakPolarHBondContact OD2-CA 3.31Å; D485-F541 PolarHBondContact OD2-N 2.75Å |
| 542 | G | 53.3 | Low | 75.1 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 116.3 | 14.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q544 | G542-Q544 VanDerWaalsContact C-N 3.34Å; G542-Q544 PolarHBondContact O-N 3.33Å |
| 543 | G | 42.7 | Very low | 73.9 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -81 | 15.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 544 | Q | 50.4 | Low | 72.9 | Confident | 134 Ų | 134 | 56.1 Ų | 56.1 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | trans | 61.3 | 74.6 | -164.9 | -57.5 | -176.6 | 32.5 | 0 | 0 | 112.3 | G542 Q546 M606 | G542-Q544 VanDerWaalsContact C-N 3.34Å; G542-Q544 PolarHBondContact O-N 3.33Å; Q544-Q546 PolarHBondContact O-N 2.92Å; Q544-M606 HydrophobicContact CB-SD 3.9Å | ||
| 545 | D | 55.2 | Low | 72.6 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | trans | -51.8 | 53.2 | -169.7 | -38.2 | 7.1 | 0 | 0 | 0 | 117 | ||||
| 546 | Q | 66.3 | Low | 72.8 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | trans | -109.5 | 74.5 | -175.6 | -66.6 | -166.5 | 50.8 | 0 | 0 | 111 | Q544 E548 M606 | Q544-Q546 PolarHBondContact O-N 2.92Å; Q546-E548 PolarHBondContact O-N 3.5Å; Q546-M606 HydrophobicContact CB-CG 4.24Å; Q546-M606 HydrophobicContact CB-SD 4.11Å | ||
| 547 | V | 79 | Confident | 73.1 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | trans | -63.1 | 127.7 | 168.7 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | P491 A536 D538 C603 S604 | P491-V547 HydrophobicContact CB-CG1 3.7Å; P491-V547 HydrophobicContact CB-CG2 4.01Å; P491-V547 HydrophobicContact CG-CG1 4.12Å; P491-V547 HydrophobicContact CG-CG2 4.21Å; A536-V547 HydrophobicContact CB-CG1 3.81Å; D538-V547 HydrophobicContact CB-CG2 4.33Å; D538-V547 WeakPolarHBondContact OD2-CG2 3.42Å; V547-C603 HydrophobicContact CG1-CB 3.77Å; V547-S604 WeakPolarHBondContact CA-O 3.5Å | ||
| 548 | E | 86.8 | Confident | 73.4 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.4 | 170.7 | -168.1 | -177.9 | 157.4 | 0 | 0 | 110.7 | Q546 N550 C603 S604 | Q546-E548 PolarHBondContact O-N 3.5Å; E548-N550 PolarHBondContact OE1-ND2 2.92Å; E548-N550 VanDerWaalsContact OE1-ND2 3.12Å; E548-C603 WeakPolarHBondContact O-CA 3.4Å; E548-S604 PolarHBondContact N-O 2.76Å; E548-S604 PolarHBondContact O-N 2.82Å |
| 549 | C | 90.2 | Very high | 73.9 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.9 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | L558 Y581 I601 V602 C603 | C549-L558 HydrophobicContact CB-CD1 4.1Å; C549-Y581 HydrophobicContact CB-CD2 3.97Å; C549-Y581 HydrophobicContact CB-CE1 4.42Å; C549-Y581 HydrophobicContact CB-CE2 3.48Å; C549-Y581 VanDerWaalsContact CB-CE2 3.48Å; C549-Y581 PolarHBondContact N-OH 2.83Å; C549-I601 HydrophobicContact CB-CG2 4.46Å; C549-V602 CarbonylContact C-O 3.55Å; C549-V602 WeakPolarHBondContact CA-O 3.25Å; C549-C603 HydrophobicContact CB-CB 4.1Å; C549-C603 WeakPolarHBondContact CB-SG 3.47Å; C549-C603 WeakPolarHBondContact SG-CB 3.49Å; C549-C603 CovalentContact SG-SG 2.04Å; C549-C603 PolarHBondContact SG-SG 2.71Å |
| 550 | N | 90.5 | Very high | 74.5 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 168.6 | 179.3 | -80.4 | -70.7 | 0 | 0 | 0 | 111 | E548 V602 | E548-N550 PolarHBondContact OE1-ND2 2.92Å; E548-N550 VanDerWaalsContact OE1-ND2 3.12Å; N550-V602 PolarHBondContact N-O 3.28Å; N550-V602 PolarHBondContact O-N 3.3Å |
| 551 | L | 90.5 | Very high | 74.7 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.7 | 172.7 | -59.6 | -178.9 | 0 | 0 | 0 | 109.6 | F556 L558 L583 V599 I601 | L551-F556 HydrophobicContact CD1-CB 4.05Å; L551-F556 WeakPolarHBondContact CD1-O 3.46Å; L551-L558 HydrophobicContact CD1-CG 4.32Å; L551-L558 HydrophobicContact CD2-CD1 3.75Å; L551-L558 HydrophobicContact CD2-CD2 4.41Å; L551-L558 HydrophobicContact CD2-CG 3.9Å; L551-L558 HydrophobicContact CG-CD1 3.93Å; L551-L558 HydrophobicContact CG-CG 3.91Å; L551-L583 HydrophobicContact CD1-CD1 4.15Å; L551-L583 HydrophobicContact CD2-CD1 4.35Å; L551-V599 HydrophobicContact CD1-CG1 4.5Å; L551-V599 HydrophobicContact CD2-CG1 3.85Å; L551-I601 HydrophobicContact CD2-CB 4.4Å; L551-I601 HydrophobicContact CD2-CG1 3.81Å |
| 552 | K | 80.3 | Confident | 74.8 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -69.5 | -42.3 | 175.8 | -78.4 | -170.8 | 173.8 | 174.3 | 0 | 113.4 | T600 V602 E612 | K552-T600 HydrophobicContact CD-CG2 3.93Å; K552-T600 HydrophobicContact CG-CG2 4.24Å; K552-T600 PolarHBondContact N-O 3.01Å; K552-V602 HydrophobicContact CD-CG2 4.18Å; K552-V602 HydrophobicContact CG-CG2 3.69Å; K552-E612 VanDerWaalsContact CE-OE1 3.29Å; K552-E612 WeakPolarHBondContact CE-OE1 3.26Å; K552-E612 WeakPolarHBondContact CE-OE2 3.42Å; K552-E612 IonicContact NZ-OE1 2.66Å; K552-E612 PolarHBondContact NZ-OE1 3.44Å; K552-E612 IonicContact NZ-OE2 2.6Å; K552-E612 PolarHBondContact NZ-OE2 2.96Å |
| 553 | D | 62.1 | Low | 74.4 | Confident | 135 Ų | 135 | 71.2 Ų | 71.2 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -159.6 | 176.1 | -169.7 | -90.9 | -58.8 | 0 | 0 | 0 | 109.1 | ||
| 554 | S | 65.8 | Low | 73.9 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 91.1 | -174.8 | 163.5 | 85.6 | 0 | 0 | 0 | 0 | 118.1 | F556 | S554-F556 PolarHBondContact O-N 3.25Š|
| 555 | N | 82.1 | Confident | 72.9 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -91.4 | 26.1 | -155.8 | -60.6 | -50.5 | 0 | 0 | 0 | 113.6 | A586 R587 L589 Q597 | N555-A586 PolarHBondContact O-N 3.43Å; N555-R587 HydrophobicContact CB-CG 3.76Å; N555-R587 VanDerWaalsContact CG-CZ 3.47Å; N555-R587 VanDerWaalsContact CG-NH1 3.35Å; N555-R587 PolarHBondContact ND2-NH1 2.75Å; N555-R587 VanDerWaalsContact OD1-CD 3.27Å; N555-R587 WeakPolarHBondContact OD1-CD 3.02Å; N555-R587 VanDerWaalsContact OD1-CZ 3.24Å; N555-R587 PolarHBondContact OD1-NE 3.23Å; N555-R587 PolarHBondContact OD1-NH1 3.5Å; N555-L589 HydrophobicContact CB-CD2 3.89Å; N555-Q597 PolarHBondContact ND2-NE2 2.64Å; N555-Q597 PolarHBondContact ND2-OE1 2.61Å |
| 556 | F | 90.2 | Very high | 71.6 | Confident | 6 Ų | 6 | 83.9 Ų | 83.9 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 169.2 | -170.4 | -60 | -88.1 | 0 | 0 | 0 | 110.1 | V531 L551 S554 L583 I584 T585 L589 Q597 V599 V617 | V531-F556 HydrophobicContact CG2-CD1 4.4Å; V531-F556 HydrophobicContact CG2-CE1 4.1Å; L551-F556 HydrophobicContact CD1-CB 4.05Å; L551-F556 WeakPolarHBondContact CD1-O 3.46Å; S554-F556 PolarHBondContact O-N 3.25Å; F556-L583 HydrophobicContact CB-CD1 3.83Å; F556-I584 CarbonylContact C-O 3.51Å; F556-I584 WeakPolarHBondContact CA-O 3.22Å; F556-I584 WeakPolarHBondContact CB-O 3.34Å; F556-T585 HydrophobicContact CD1-CG2 4.5Å; F556-T585 HydrophobicContact CE1-CG2 4.23Å; F556-L589 HydrophobicContact CE1-CD1 3.96Å; F556-L589 HydrophobicContact CZ-CD1 3.8Å; F556-L589 HydrophobicContact CZ-CD2 4.4Å; F556-Q597 HydrophobicContact CE2-CB 4.27Å; F556-V599 HydrophobicContact CD2-CG2 3.36Å; F556-V599 HydrophobicContact CE2-CG2 3.51Å; F556-V599 HydrophobicContact CG-CG2 4.05Å; F556-V599 HydrophobicContact CZ-CG2 4.31Å; F556-V617 HydrophobicContact CE1-CG1 4.21Å; F556-V617 HydrophobicContact CE1-CG2 4.35Å; F556-V617 HydrophobicContact CZ-CB 4.02Å; F556-V617 HydrophobicContact CZ-CG1 3.9Å; F556-V617 HydrophobicContact CZ-CG2 4.09Å |
| 557 | S | 89.6 | Confident | 69.8 | Low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 155.7 | 174.9 | -70.9 | 0 | 0 | 0 | 0 | 110.7 | I584 A586 | S557-I584 PolarHBondContact N-O 2.94Å; S557-I584 VanDerWaalsContact O-CG1 3.3Å; S557-I584 WeakPolarHBondContact O-CG1 3.32Å; S557-I584 PolarHBondContact O-N 2.92Å; S557-A586 WeakPolarHBondContact OG-CB 3.33Å |
| 558 | L | 89.2 | Confident | 67.5 | Low | 33 Ų | 33 | 93 Ų | 93 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.7 | 174.5 | -68.4 | 171.5 | 0 | 0 | 0 | 109.2 | V534 C549 L551 Y581 H582 L583 I601 | V534-L558 HydrophobicContact CG2-CD2 3.97Å; C549-L558 HydrophobicContact CB-CD1 4.1Å; L551-L558 HydrophobicContact CD1-CG 4.32Å; L551-L558 HydrophobicContact CD2-CD1 3.75Å; L551-L558 HydrophobicContact CD2-CD2 4.41Å; L551-L558 HydrophobicContact CD2-CG 3.9Å; L551-L558 HydrophobicContact CG-CD1 3.93Å; L551-L558 HydrophobicContact CG-CG 3.91Å; L558-Y581 HydrophobicContact CB-CD1 3.81Å; L558-Y581 HydrophobicContact CB-CE1 4.45Å; L558-Y581 HydrophobicContact CB-CG 4.41Å; L558-H582 WeakPolarHBondContact CA-O 3.48Å; L558-L583 HydrophobicContact CD2-CB 4.2Å; L558-L583 HydrophobicContact CD2-CD1 3.96Å; L558-I601 HydrophobicContact CD1-CG2 4.32Å; L558-I601 HydrophobicContact CD2-CD1 4.45Å |
| 559 | I | 87 | Confident | 64.8 | Low | 93 Ų | 93 | 96.7 Ų | 96.7 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.1 | 171.1 | -65.1 | -179.7 | 0 | 0 | 0 | 107.9 | L561 Y581 H582 I584 | I559-L561 PolarHBondContact O-N 3.36Å; I559-Y581 CarbonylContact O-C 3.58Å; I559-Y581 WeakPolarHBondContact O-CA 3.12Å; I559-H582 PolarHBondContact N-O 3.22Å; I559-H582 PolarHBondContact O-N 2.92Å; I559-I584 HydrophobicContact CD1-CD1 3.54Å; I559-I584 HydrophobicContact CD1-CG1 4.16Å; I559-I584 HydrophobicContact CD1-CG2 4.49Å; I559-I584 HydrophobicContact CG1-CD1 4.02Å; I559-I584 HydrophobicContact CG1-CG1 4.27Å |
| 560 | R | 85.7 | Confident | 61.9 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 125.7 | 176.3 | -164.6 | 178.4 | -173.2 | 164.3 | 10.1 | 109.5 | T579 Y581 | R560-T579 HydrophobicContact CG-CG2 4.23Å; R560-T579 VanDerWaalsContact NE-CG2 3.31Å; R560-T579 VanDerWaalsContact NH2-CG2 3.35Å; R560-T579 PolarHBondContact NH2-OG1 3.3Å; R560-Y581 VanDerWaalsContact CA-CD1 3.45Å; R560-Y581 HydrophobicContact CB-CD1 3.73Å; R560-Y581 HydrophobicContact CB-CE1 3.6Å; R560-Y581 HydrophobicContact CB-CG 4.47Å; R560-Y581 HydrophobicContact CG-CD1 4.22Å; R560-Y581 HydrophobicContact CG-CE1 3.95Å; R560-Y581 HydrophobicContact CG-CE2 4.46Å |
| 561 | L | 75.3 | Confident | 58.9 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 35% | 0.346 | 56% | 0.558 | S | S | . | * | trans | -73.9 | 129.4 | 172.9 | -74 | 168.7 | 0 | 0 | 0 | 109.1 | I559 E580 | I559-L561 PolarHBondContact O-N 3.36Å; L561-E580 HydrophobicContact CB-CB 4.18Å; L561-E580 HydrophobicContact CD1-CB 3.92Å; L561-E580 PolarHBondContact N-O 3.41Å | ||
| 562 | T | 58 | Low | 56.1 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 71% | 0.712 | 58% | 0.575 | S | S | * | * | trans | -107.5 | 119.2 | 171.9 | 38 | 0 | 0 | 0 | 0 | 108.6 | Q564 | T562-Q564 PolarHBondContact O-N 2.81Š| ||
| 563 | S | 46.4 | Very low | 53.9 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | trans | -69.2 | 93.1 | -175.5 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 564 | Q | 31.6 | Very low | 52.7 | Low | 171 Ų | 171 | 115.1 Ų | 115.1 | 80% | 0.799 | 59% | 0.591 | S | S | * | * | trans | -71.2 | 131 | 168.1 | -62.7 | -169.4 | 8 | 0 | 0 | 109.2 | T562 | T562-Q564 PolarHBondContact O-N 2.81Š| ||
| 565 | T | 28.2 | Very low | 51.5 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 83% | 0.828 | 60% | 0.603 | S | S | * | * | trans | 69 | 101.3 | -174.9 | 69 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 566 | Q | 29.1 | Very low | 50 | Low | 181 Ų | 181 | 118.7 Ų | 118.7 | 85% | 0.846 | 61% | 0.61 | S | S | * | * | trans | -86.3 | 132.8 | 152.3 | -82 | -172.6 | -28.9 | 0 | 0 | 109.2 | ||||
| 567 | P | 28.1 | Very low | 48.3 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -73 | 145.8 | 157 | -10.4 | 27.5 | 0 | 0 | 0 | 110.3 | F569 | P567-F569 PolarHBondContact O-N 3.33Å; P567-F569 VanDerWaalsContact O-N 3.14Å | ||
| 568 | E | 30 | Very low | 47.3 | Very low | 191 Ų | 191 | 126 Ų | 126 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | trans | -70 | 106.1 | 169.1 | -69.9 | -173.6 | 109 | 0 | 0 | 110.4 | ||||
| 569 | F | 30.3 | Very low | 46.7 | Very low | 188 Ų | 188 | 125 Ų | 125 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | trans | -140.5 | 154.8 | 165.8 | -118.8 | -91.5 | 0 | 0 | 0 | 111.2 | P567 | P567-F569 PolarHBondContact O-N 3.33Å; P567-F569 VanDerWaalsContact O-N 3.14Å | ||
| 570 | D | 29 | Very low | 46.5 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | trans | -29.8 | 128.5 | -159.6 | -83.3 | -66.1 | 0 | 0 | 0 | 119.9 | N572 | D570-N572 PolarHBondContact O-N 3.18Š| ||
| 571 | R | 28.7 | Very low | 46.7 | Very low | 245 Ų | 245 | 119.1 Ų | 119.1 | 93% | 0.925 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 42.2 | 174.6 | -56.3 | -175.9 | -176.1 | -168.6 | 0.5 | 113.7 | ||
| 572 | N | 32.3 | Very low | 47.4 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 57% | 0.567 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | -2.5 | -171.2 | -95.6 | -49.6 | 0 | 0 | 0 | 115.9 | K451 D570 | K451-N572 PolarHBondContact NZ-O 2.9Å; D570-N572 PolarHBondContact O-N 3.18Å |
| 573 | T | 32.8 | Very low | 48.9 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | trans | -127 | 102.4 | 173 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 574 | E | 37 | Very low | 51 | Low | 189 Ų | 189 | 108.7 Ų | 108.7 | 88% | 0.883 | 54% | 0.543 | S | S | * | . | trans | -70.1 | 125.9 | 154.3 | -73.9 | 159.5 | 140.2 | 0 | 0 | 106.1 | ||||
| 575 | V | 41.8 | Very low | 53.8 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | trans | -128.9 | 127.3 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 105.6 | L577 | V575-L577 PolarHBondContact O-N 2.91Å; V575-L577 VanDerWaalsContact O-N 3.14Å | ||
| 576 | N | 48.8 | Very low | 56.7 | Low | 60 Ų | 60 | 96.2 Ų | 96.2 | 32% | 0.321 | 48% | 0.483 | S | S | . | . | trans | -45.1 | 121.4 | -176.1 | -55.5 | 44 | 0 | 0 | 0 | 109.6 | D538 P539 L578 | D538-N576 PolarHBondContact O-ND2 3.26Å; P539-N576 PolarHBondContact O-ND2 2.82Å; N576-L578 VanDerWaalsContact C-N 3.32Å; N576-L578 PolarHBondContact O-N 2.74Å | ||
| 577 | L | 56.3 | Low | 59.6 | Low | 130 Ų | 130 | 92.6 Ų | 92.6 | 68% | 0.681 | 46% | 0.462 | S | S | * | . | trans | -76.4 | 81.1 | -164.2 | -80.5 | 167.5 | 0 | 0 | 0 | 112.2 | V575 T579 | V575-L577 PolarHBondContact O-N 2.91Å; V575-L577 VanDerWaalsContact O-N 3.14Å; L577-T579 PolarHBondContact O-N 3.36Å; L577-T579 PolarHBondContact O-OG1 3.44Å | ||
| 578 | L | 67.7 | Low | 62.5 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | trans | -45.1 | 108.6 | 175.1 | -173 | 71.4 | 0 | 0 | 0 | 110.6 | Q535 Y537 N576 E580 | Q535-L578 HydrophobicContact CB-CD1 3.81Å; Q535-L578 HydrophobicContact CB-CD2 4.36Å; Q535-L578 HydrophobicContact CB-CG 4.17Å; Y537-L578 HydrophobicContact CD1-CD1 3.96Å; Y537-L578 HydrophobicContact CG-CD1 4.42Å; N576-L578 VanDerWaalsContact C-N 3.32Å; N576-L578 PolarHBondContact O-N 2.74Å; L578-E580 HydrophobicContact CD2-CG 4.5Å; L578-E580 HydrophobicContact CG-CG 4.45Å | ||
| 579 | T | 76.5 | Confident | 65.3 | Low | 12 Ų | 12 | 82.8 Ų | 82.8 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.1 | 179.8 | -74.2 | 0 | 0 | 0 | 0 | 109.2 | A536 R560 L577 Y581 | A536-T579 PolarHBondContact N-O 2.9Å; A536-T579 PolarHBondContact O-N 3.48Å; R560-T579 HydrophobicContact CG-CG2 4.23Å; R560-T579 VanDerWaalsContact NE-CG2 3.31Å; R560-T579 VanDerWaalsContact NH2-CG2 3.35Å; R560-T579 PolarHBondContact NH2-OG1 3.3Å; L577-T579 PolarHBondContact O-N 3.36Å; L577-T579 PolarHBondContact O-OG1 3.44Å; T579-Y581 HydrophobicContact CG2-CD2 4.01Å; T579-Y581 HydrophobicContact CG2-CE2 3.4Å; T579-Y581 VanDerWaalsContact CG2-CE2 3.4Å |
| 580 | E | 83.5 | Confident | 68.2 | Low | 67 Ų | 67 | 76.9 Ų | 76.9 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.8 | -178.9 | -55 | -166.6 | 127.2 | 0 | 0 | 112.3 | V534 Q535 L561 L578 | V534-E580 CarbonylContact O-C 3.48Å; V534-E580 WeakPolarHBondContact O-CA 3.35Å; Q535-E580 HydrophobicContact CB-CG 4.42Å; Q535-E580 HydrophobicContact CG-CG 4.2Å; Q535-E580 PolarHBondContact NE2-OE1 3.16Å; L561-E580 HydrophobicContact CB-CB 4.18Å; L561-E580 HydrophobicContact CD1-CB 3.92Å; L561-E580 PolarHBondContact N-O 3.41Å; L578-E580 HydrophobicContact CD2-CG 4.5Å; L578-E580 HydrophobicContact CG-CG 4.45Å |
| 581 | Y | 88.9 | Confident | 71.2 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.9 | 173 | -64.5 | -104.1 | 0 | 0 | 0 | 110.3 | T533 V534 C549 L558 I559 R560 T579 | T533-Y581 WeakPolarHBondContact CA-O 3.47Å; V534-Y581 PolarHBondContact N-O 3.19Å; V534-Y581 PolarHBondContact O-N 2.98Å; C549-Y581 HydrophobicContact CB-CD2 3.97Å; C549-Y581 HydrophobicContact CB-CE1 4.42Å; C549-Y581 HydrophobicContact CB-CE2 3.48Å; C549-Y581 VanDerWaalsContact CB-CE2 3.48Å; C549-Y581 PolarHBondContact N-OH 2.83Å; L558-Y581 HydrophobicContact CB-CD1 3.81Å; L558-Y581 HydrophobicContact CB-CE1 4.45Å; L558-Y581 HydrophobicContact CB-CG 4.41Å; I559-Y581 CarbonylContact O-C 3.58Å; I559-Y581 WeakPolarHBondContact O-CA 3.12Å; R560-Y581 VanDerWaalsContact CA-CD1 3.45Å; R560-Y581 HydrophobicContact CB-CD1 3.73Å; R560-Y581 HydrophobicContact CB-CE1 3.6Å; R560-Y581 HydrophobicContact CB-CG 4.47Å; R560-Y581 HydrophobicContact CG-CD1 4.22Å; R560-Y581 HydrophobicContact CG-CE1 3.95Å; R560-Y581 HydrophobicContact CG-CE2 4.46Å; T579-Y581 HydrophobicContact CG2-CD2 4.01Å; T579-Y581 HydrophobicContact CG2-CE2 3.4Å; T579-Y581 VanDerWaalsContact CG2-CE2 3.4Å |
| 582 | H | 89.4 | Confident | 74.2 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.6 | 160.4 | -75.6 | -41.2 | 0 | 0 | 0 | 110.6 | T530 T533 L558 I559 I584 | T530-H582 HydrophobicContact CG2-CB 4.09Å; T533-H582 PolarHBondContact OG1-CE1 3.33Å; T533-H582 VanDerWaalsContact OG1-CE1 3.31Å; T533-H582 PolarHBondContact OG1-ND1 2.98Å; T533-H582 VanDerWaalsContact OG1-ND1 3.13Å; L558-H582 WeakPolarHBondContact CA-O 3.48Å; I559-H582 PolarHBondContact N-O 3.22Å; I559-H582 PolarHBondContact O-N 2.92Å; H582-I584 HydrophobicContact CB-CG2 4.26Å |
| 583 | L | 90.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.9 | 166.5 | -179.7 | 67.4 | 0 | 0 | 0 | 108.7 | V531 A532 V534 L551 F556 L558 V599 | V531-L583 PolarHBondContact N-O 2.8Å; A532-L583 HydrophobicContact CB-CB 4.46Å; A532-L583 PolarHBondContact O-N 2.93Å; V534-L583 HydrophobicContact CG2-CB 4.17Å; L551-L583 HydrophobicContact CD1-CD1 4.15Å; L551-L583 HydrophobicContact CD2-CD1 4.35Å; F556-L583 HydrophobicContact CB-CD1 3.83Å; L558-L583 HydrophobicContact CD2-CB 4.2Å; L558-L583 HydrophobicContact CD2-CD1 3.96Å; L583-V599 HydrophobicContact CD1-CG1 4.18Å; L583-V599 HydrophobicContact CD2-CG1 4.45Å |
| 584 | I | 90.4 | Very high | 79.6 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 158.5 | -177.4 | 58 | 149.8 | 0 | 0 | 0 | 112.6 | G528 T529 F556 S557 I559 H582 | G528-I584 WeakPolarHBondContact O-CG2 3.32Å; T529-I584 VanDerWaalsContact O-CA 3.31Å; T529-I584 WeakPolarHBondContact O-CA 3.32Å; F556-I584 CarbonylContact C-O 3.51Å; F556-I584 WeakPolarHBondContact CA-O 3.22Å; F556-I584 WeakPolarHBondContact CB-O 3.34Å; S557-I584 PolarHBondContact N-O 2.94Å; S557-I584 VanDerWaalsContact O-CG1 3.3Å; S557-I584 WeakPolarHBondContact O-CG1 3.32Å; S557-I584 PolarHBondContact O-N 2.92Å; I559-I584 HydrophobicContact CD1-CD1 3.54Å; I559-I584 HydrophobicContact CD1-CG1 4.16Å; I559-I584 HydrophobicContact CD1-CG2 4.49Å; I559-I584 HydrophobicContact CG1-CD1 4.02Å; I559-I584 HydrophobicContact CG1-CG1 4.27Å; H582-I584 HydrophobicContact CB-CG2 4.26Å |
| 585 | T | 90.5 | Very high | 82 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.4 | 166.1 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | V521 P526 G528 T529 V531 F556 L589 | V521-T585 HydrophobicContact CG2-CG2 4.47Å; P526-T585 PolarHBondContact O-OG1 2.86Å; G528-T585 PolarHBondContact N-O 2.86Å; G528-T585 PolarHBondContact N-OG1 3.32Å; T529-T585 PolarHBondContact N-OG1 3.04Å; T529-T585 PolarHBondContact O-N 3.2Å; V531-T585 HydrophobicContact CG2-CG2 4.41Å; F556-T585 HydrophobicContact CD1-CG2 4.5Å; F556-T585 HydrophobicContact CE1-CG2 4.23Å; T585-L589 HydrophobicContact CG2-CD1 3.95Å; T585-L589 HydrophobicContact CG2-CG 4.38Å |
| 586 | A | 89.4 | Confident | 84.2 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -102.4 | -15.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N555 S557 | N555-A586 PolarHBondContact O-N 3.43Å; S557-A586 WeakPolarHBondContact OG-CB 3.33Å |
| 587 | R | 88.9 | Confident | 86 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -139.2 | 164.9 | 166 | 62.1 | 171.8 | -137.7 | -153.6 | 13 | 109.3 | N555 | N555-R587 HydrophobicContact CB-CG 3.76Å; N555-R587 VanDerWaalsContact CG-CZ 3.47Å; N555-R587 VanDerWaalsContact CG-NH1 3.35Å; N555-R587 PolarHBondContact ND2-NH1 2.75Å; N555-R587 VanDerWaalsContact OD1-CD 3.27Å; N555-R587 WeakPolarHBondContact OD1-CD 3.02Å; N555-R587 VanDerWaalsContact OD1-CZ 3.24Å; N555-R587 PolarHBondContact OD1-NE 3.23Å; N555-R587 PolarHBondContact OD1-NH1 3.5Å |
| 588 | I | 89.1 | Confident | 87.5 | Confident | 95 Ų | 95 | 49.1 Ų | 49.1 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | trans | -60.6 | 138.2 | 166 | -57.1 | 175.9 | 0 | 0 | 0 | 108.2 | V527 | V527-I588 HydrophobicContact CG2-CG1 4.37Š| ||
| 589 | L | 89.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | trans | -100.4 | 146.2 | 178.1 | -58.9 | 177.9 | 0 | 0 | 0 | 109.4 | V521 E523 N524 N555 F556 T585 I619 | V521-L589 HydrophobicContact CG1-CD1 3.67Å; E523-L589 WeakPolarHBondContact CB-O 3.42Å; N524-L589 PolarHBondContact N-O 2.9Å; N555-L589 HydrophobicContact CB-CD2 3.89Å; F556-L589 HydrophobicContact CE1-CD1 3.96Å; F556-L589 HydrophobicContact CZ-CD1 3.8Å; F556-L589 HydrophobicContact CZ-CD2 4.4Å; T585-L589 HydrophobicContact CG2-CD1 3.95Å; T585-L589 HydrophobicContact CG2-CG 4.38Å; L589-I619 HydrophobicContact CB-CD1 4.03Å; L589-I619 HydrophobicContact CB-CG1 4.43Å; L589-I619 HydrophobicContact CD1-CD1 4.2Å; L589-I619 HydrophobicContact CD1-CG1 4.16Å; L589-I619 HydrophobicContact CG-CD1 4.49Å | ||
| 590 | D | 91.2 | Very high | 89.2 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | trans | -133.8 | 137.4 | 175.4 | 106.9 | 53.4 | 0 | 0 | 0 | 108 | E592 S593 T594 | D590-E592 PolarHBondContact OD1-N 3.03Å; D590-S593 WeakPolarHBondContact OD1-CA 3.13Å; D590-S593 WeakPolarHBondContact OD1-CB 3.45Å; D590-S593 PolarHBondContact OD1-N 2.92Å; D590-S593 WeakPolarHBondContact OD2-CB 3.44Å; D590-T594 PolarHBondContact O-N 2.92Å | ||
| 591 | R | 92.4 | Very high | 89.5 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -29.3 | -166.7 | -171.9 | -131.2 | 70.5 | 155.6 | 8.2 | 112.2 | E523 S593 T594 S595 I619 D621 L677 D678 I679 | E523-R591 HydrophobicContact CB-CB 4.48Å; E523-R591 VanDerWaalsContact OE1-CB 3.25Å; E523-R591 WeakPolarHBondContact OE1-CB 3.02Å; E523-R591 WeakPolarHBondContact OE2-CB 3.4Å; E523-R591 PolarHBondContact OE2-N 3.14Å; R591-S593 VanDerWaalsContact C-N 3.27Å; R591-S593 PolarHBondContact O-N 2.8Å; R591-T594 CarbonylContact O-C 3.45Å; R591-T594 PolarHBondContact O-N 3.3Å; R591-S595 PolarHBondContact O-N 2.78Å; R591-I619 HydrophobicContact CB-CG2 3.74Å; R591-I619 HydrophobicContact CG-CB 4.41Å; R591-I619 HydrophobicContact CG-CG2 4.04Å; R591-D621 VanDerWaalsContact CD-OD1 3.31Å; R591-D621 WeakPolarHBondContact CD-OD1 3.34Å; R591-D621 IonicContact CZ-OD1 2.65Å; R591-D621 VanDerWaalsContact CZ-OD1 3.28Å; R591-D621 IonicContact NE-OD1 2.74Å; R591-D621 PolarHBondContact NE-OD1 3.38Å; R591-D621 VanDerWaalsContact NH1-CG 3.31Å; R591-D621 IonicContact NH1-OD1 3.02Å; R591-D621 PolarHBondContact NH1-OD1 2.88Å; R591-D621 IonicContact NH1-OD2 2.7Å; R591-L677 PolarHBondContact NH2-O 3.44Å; R591-D678 VanDerWaalsContact NH1-C 3.35Å; R591-I679 VanDerWaalsContact NH1-CD1 3.31Å |
| 592 | E | 91.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -40 | 175.1 | -76.8 | 48.1 | -97 | 0 | 0 | 110.6 | D590 L677 | D590-E592 PolarHBondContact OD1-N 3.03Å; E592-L677 HydrophobicContact CG-CB 3.78Å; E592-L677 HydrophobicContact CG-CD1 4.38Å |
| 593 | S | 88.6 | Confident | 89.7 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -47.1 | 173.3 | -171 | 0 | 0 | 0 | 0 | 111.2 | D590 R591 | D590-S593 WeakPolarHBondContact OD1-CA 3.13Å; D590-S593 WeakPolarHBondContact OD1-CB 3.45Å; D590-S593 PolarHBondContact OD1-N 2.92Å; D590-S593 WeakPolarHBondContact OD2-CB 3.44Å; R591-S593 VanDerWaalsContact C-N 3.27Å; R591-S593 PolarHBondContact O-N 2.8Å |
| 594 | T | 88.3 | Confident | 89.6 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | trans | -149.8 | 116.3 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | D590 R591 H596 Q597 I619 | D590-T594 PolarHBondContact O-N 2.92Å; R591-T594 CarbonylContact O-C 3.45Å; R591-T594 PolarHBondContact O-N 3.3Å; T594-H596 VanDerWaalsContact C-N 3.27Å; T594-H596 PolarHBondContact O-N 3.34Å; T594-Q597 PolarHBondContact OG1-NE2 3.07Å; T594-I619 VanDerWaalsContact O-CD1 3.24Å; T594-I619 WeakPolarHBondContact O-CD1 3.45Å | ||
| 595 | S | 87.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -74.6 | -13.6 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | R591 I619 | R591-S595 PolarHBondContact O-N 2.78Å; S595-I619 PolarHBondContact O-N 2.8Å; S595-I619 VanDerWaalsContact O-N 3.13Å |
| 596 | H | 88 | Confident | 88.3 | Confident | 112 Ų | 112 | 47.7 Ų | 47.7 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.6 | 179.8 | 57.3 | -69.6 | 0 | 0 | 0 | 110.4 | T594 T616 V617 | T594-H596 VanDerWaalsContact C-N 3.27Å; T594-H596 PolarHBondContact O-N 3.34Å; H596-T616 HydrophobicContact CB-CG2 4.16Å; H596-V617 CarbonylContact C-O 3.24Å; H596-V617 WeakPolarHBondContact CA-O 3.35Å |
| 597 | Q | 87 | Confident | 87.6 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.3 | 175.9 | -61.2 | -172.9 | 12.5 | 0 | 0 | 109.7 | N555 F556 T594 V617 I619 | N555-Q597 PolarHBondContact ND2-NE2 2.64Å; N555-Q597 PolarHBondContact ND2-OE1 2.61Å; F556-Q597 HydrophobicContact CE2-CB 4.27Å; T594-Q597 PolarHBondContact OG1-NE2 3.07Å; Q597-V617 PolarHBondContact N-O 2.76Å; Q597-V617 PolarHBondContact O-N 3.11Å; Q597-I619 HydrophobicContact CG-CD1 4.16Å |
| 598 | V | 88.1 | Confident | 86.8 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.1 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | N614 I615 | V598-N614 HydrophobicContact CG1-CB 4.19Å; V598-I615 CarbonylContact C-O 3.58Å; V598-I615 WeakPolarHBondContact CA-O 3.13Å |
| 599 | V | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.2 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L551 F556 L583 N614 I615 V617 | L551-V599 HydrophobicContact CD1-CG1 4.5Å; L551-V599 HydrophobicContact CD2-CG1 3.85Å; F556-V599 HydrophobicContact CD2-CG2 3.36Å; F556-V599 HydrophobicContact CE2-CG2 3.51Å; F556-V599 HydrophobicContact CG-CG2 4.05Å; F556-V599 HydrophobicContact CZ-CG2 4.31Å; L583-V599 HydrophobicContact CD1-CG1 4.18Å; L583-V599 HydrophobicContact CD2-CG1 4.45Å; V599-N614 WeakPolarHBondContact O-CA 3.41Å; V599-I615 HydrophobicContact CB-CB 4.46Å; V599-I615 PolarHBondContact N-O 2.69Å; V599-I615 PolarHBondContact O-N 3.32Å; V599-V617 HydrophobicContact CG2-CG2 3.87Å |
| 600 | T | 90.4 | Very high | 86.3 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.3 | 175.3 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | K552 V602 E612 N614 | K552-T600 HydrophobicContact CD-CG2 3.93Å; K552-T600 HydrophobicContact CG-CG2 4.24Å; K552-T600 PolarHBondContact N-O 3.01Å; T600-V602 HydrophobicContact CG2-CG2 4.27Å; T600-E612 HydrophobicContact CG2-CB 4.46Å; T600-N614 WeakPolarHBondContact CB-OD1 3.39Å; T600-N614 VanDerWaalsContact CG2-OD1 3.28Å; T600-N614 WeakPolarHBondContact CG2-OD1 3.09Å; T600-N614 PolarHBondContact OG1-OD1 3.15Å |
| 601 | I | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.5 | 168.4 | -52.8 | -169.1 | 0 | 0 | 0 | 108.4 | I493 L495 V534 C549 L551 L558 E612 R613 I615 | I493-I601 HydrophobicContact CD1-CB 4.5Å; I493-I601 HydrophobicContact CD1-CG2 4.1Å; L495-I601 HydrophobicContact CD2-CD1 4.16Å; V534-I601 HydrophobicContact CB-CD1 4.32Å; V534-I601 HydrophobicContact CG1-CD1 3.83Å; V534-I601 HydrophobicContact CG1-CG2 4.47Å; V534-I601 HydrophobicContact CG2-CD1 3.5Å; C549-I601 HydrophobicContact CB-CG2 4.46Å; L551-I601 HydrophobicContact CD2-CB 4.4Å; L551-I601 HydrophobicContact CD2-CG1 3.81Å; L558-I601 HydrophobicContact CD1-CG2 4.32Å; L558-I601 HydrophobicContact CD2-CD1 4.45Å; I601-E612 CarbonylContact O-C 3.56Å; I601-E612 WeakPolarHBondContact O-CA 3.47Å; I601-R613 PolarHBondContact N-O 3.22Å; I601-R613 PolarHBondContact O-N 3.33Å; I601-I615 HydrophobicContact CD1-CD1 3.46Å; I601-I615 VanDerWaalsContact CD1-CD1 3.46Å; I601-I615 HydrophobicContact CG1-CD1 3.84Å |
| 602 | V | 92.2 | Very high | 86.1 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123 | 170.4 | -173 | 0 | 0 | 0 | 0 | 107.5 | C549 N550 K552 T600 Y610 T611 E612 | C549-V602 CarbonylContact C-O 3.55Å; C549-V602 WeakPolarHBondContact CA-O 3.25Å; N550-V602 PolarHBondContact N-O 3.28Å; N550-V602 PolarHBondContact O-N 3.3Å; K552-V602 HydrophobicContact CD-CG2 4.18Å; K552-V602 HydrophobicContact CG-CG2 3.69Å; T600-V602 HydrophobicContact CG2-CG2 4.27Å; V602-Y610 HydrophobicContact CG1-CD2 3.92Å; V602-Y610 HydrophobicContact CG1-CG 4.35Å; V602-T611 WeakPolarHBondContact CA-O 3.46Å; V602-E612 HydrophobicContact CG1-CG 4.4Å; V602-E612 HydrophobicContact CG2-CG 4.1Å |
| 603 | C | 90.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132 | 172.5 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | P491 I493 A536 V547 E548 C549 Y610 T611 | P491-C603 HydrophobicContact CB-CB 4.18Å; I493-C603 HydrophobicContact CD1-CB 3.83Å; I493-C603 WeakPolarHBondContact CD1-SG 3.38Å; I493-C603 HydrophobicContact CG1-CB 3.92Å; I493-C603 VanDerWaalsContact CG1-SG 3.6Å; A536-C603 HydrophobicContact CB-CB 4.45Å; V547-C603 HydrophobicContact CG1-CB 3.77Å; E548-C603 WeakPolarHBondContact O-CA 3.4Å; C549-C603 HydrophobicContact CB-CB 4.1Å; C549-C603 WeakPolarHBondContact CB-SG 3.47Å; C549-C603 WeakPolarHBondContact SG-CB 3.49Å; C549-C603 CovalentContact SG-SG 2.04Å; C549-C603 PolarHBondContact SG-SG 2.71Å; C603-Y610 CarbonylContact O-C 3.51Å; C603-Y610 WeakPolarHBondContact O-CA 3.29Å; C603-Y610 WeakPolarHBondContact O-CB 3.11Å; C603-T611 PolarHBondContact N-O 3.3Å; C603-T611 PolarHBondContact O-N 3.16Å |
| 604 | S | 87.3 | Confident | 85.9 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.3 | -179.3 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | V547 E548 H609 | V547-S604 WeakPolarHBondContact CA-O 3.5Å; E548-S604 PolarHBondContact N-O 2.76Å; E548-S604 PolarHBondContact O-N 2.82Å; S604-H609 WeakPolarHBondContact CA-O 3.18Å; S604-H609 WeakPolarHBondContact CB-O 3.39Å |
| 605 | D | 82.6 | Confident | 85.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | trans | -82.4 | -168.4 | 172.8 | 70 | 7.2 | 0 | 0 | 0 | 111.7 | N487 P491 D538 V607 G608 H609 | N487-D605 PolarHBondContact ND2-OD2 3.34Å; N487-D605 PolarHBondContact OD1-OD2 2.83Å; P491-D605 HydrophobicContact CG-CB 4.09Å; D538-D605 WeakPolarHBondContact OD2-CB 3.29Å; D605-V607 WeakPolarHBondContact OD1-CA 3.44Å; D605-V607 PolarHBondContact OD1-N 3.47Å; D605-G608 PolarHBondContact OD1-N 3.08Å; D605-H609 PolarHBondContact N-O 3.01Å; D605-H609 PolarHBondContact OD1-N 2.72Å; D605-H609 VanDerWaalsContact OD2-CB 3.31Å; D605-H609 WeakPolarHBondContact OD2-CB 3.37Å; D605-H609 IonicContact OD2-CG 3.7Å; D605-H609 IonicContact OD2-ND1 3.28Å; D605-H609 PolarHBondContact OD2-ND1 2.78Å | ||
| 606 | M | 71.7 | Confident | 85.7 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -85 | -6.5 | 175.5 | -63.2 | -152.6 | 73.9 | 0 | 0 | 114.6 | Q544 Q546 | Q544-M606 HydrophobicContact CB-SD 3.9Å; Q546-M606 HydrophobicContact CB-CG 4.24Å; Q546-M606 HydrophobicContact CB-SD 4.11Å |
| 607 | V | 73.5 | Confident | 85.7 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 58% | 0.582 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -103 | -25.5 | -174.1 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | N487 D605 | N487-V607 HydrophobicContact CB-CG2 4.26Å; N487-V607 WeakPolarHBondContact OD1-CG2 3.31Å; D605-V607 WeakPolarHBondContact OD1-CA 3.44Å; D605-V607 PolarHBondContact OD1-N 3.47Å |
| 608 | G | 73.8 | Confident | 85.7 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 117.8 | 4.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | D605 | D605-G608 PolarHBondContact OD1-N 3.08Š|
| 609 | H | 80.5 | Confident | 85.8 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | trans | -76.4 | 148.6 | 170.5 | -50.8 | 115.4 | 0 | 0 | 0 | 110.1 | N487 S604 D605 | N487-H609 PolarHBondContact ND2-ND1 3.21Å; N487-H609 PolarHBondContact O-CE1 3.07Å; S604-H609 WeakPolarHBondContact CA-O 3.18Å; S604-H609 WeakPolarHBondContact CB-O 3.39Å; D605-H609 PolarHBondContact N-O 3.01Å; D605-H609 PolarHBondContact OD1-N 2.72Å; D605-H609 VanDerWaalsContact OD2-CB 3.31Å; D605-H609 WeakPolarHBondContact OD2-CB 3.37Å; D605-H609 IonicContact OD2-CG 3.7Å; D605-H609 IonicContact OD2-ND1 3.28Å; D605-H609 PolarHBondContact OD2-ND1 2.78Å | ||
| 610 | Y | 88.1 | Confident | 85.9 | Confident | 134 Ų | 134 | 51.6 Ų | 51.6 | 53% | 0.525 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 147.5 | -175.6 | 67.8 | -85.8 | 0 | 0 | 0 | 113 | V602 C603 E612 | V602-Y610 HydrophobicContact CG1-CD2 3.92Å; V602-Y610 HydrophobicContact CG1-CG 4.35Å; C603-Y610 CarbonylContact O-C 3.51Å; C603-Y610 WeakPolarHBondContact O-CA 3.29Å; C603-Y610 WeakPolarHBondContact O-CB 3.11Å; Y610-E612 HydrophobicContact CD2-CG 3.88Å; Y610-E612 HydrophobicContact CE2-CG 3.85Å; Y610-E612 WeakPolarHBondContact CE2-OE1 3.18Å |
| 611 | T | 89.3 | Confident | 85.9 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.4 | 172.6 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | P491 I493 V602 C603 | P491-T611 WeakPolarHBondContact O-CB 3.26Å; P491-T611 PolarHBondContact O-OG1 2.92Å; I493-T611 HydrophobicContact CD1-CG2 3.94Å; I493-T611 WeakPolarHBondContact CD1-O 3.5Å; I493-T611 HydrophobicContact CG1-CG2 3.96Å; V602-T611 WeakPolarHBondContact CA-O 3.46Å; C603-T611 PolarHBondContact N-O 3.3Å; C603-T611 PolarHBondContact O-N 3.16Å |
| 612 | E | 90.1 | Very high | 85.9 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.6 | 170.8 | -55 | -163.6 | -171.1 | 0 | 0 | 110.8 | K552 T600 I601 V602 Y610 | K552-E612 VanDerWaalsContact CE-OE1 3.29Å; K552-E612 WeakPolarHBondContact CE-OE1 3.26Å; K552-E612 WeakPolarHBondContact CE-OE2 3.42Å; K552-E612 IonicContact NZ-OE1 2.66Å; K552-E612 PolarHBondContact NZ-OE1 3.44Å; K552-E612 IonicContact NZ-OE2 2.6Å; K552-E612 PolarHBondContact NZ-OE2 2.96Å; T600-E612 HydrophobicContact CG2-CB 4.46Å; I601-E612 CarbonylContact O-C 3.56Å; I601-E612 WeakPolarHBondContact O-CA 3.47Å; V602-E612 HydrophobicContact CG1-CG 4.4Å; V602-E612 HydrophobicContact CG2-CG 4.1Å; Y610-E612 HydrophobicContact CD2-CG 3.88Å; Y610-E612 HydrophobicContact CE2-CG 3.85Å; Y610-E612 WeakPolarHBondContact CE2-OE1 3.18Å |
| 613 | R | 87.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 111 | 174.2 | -170.6 | 166.3 | 178.1 | 161.1 | -2.7 | 110.7 | I493 L495 F516 I601 I615 | I493-R613 HydrophobicContact CB-CB 4.27Å; I493-R613 HydrophobicContact CD1-CB 3.96Å; I493-R613 HydrophobicContact CG2-CB 4.2Å; I493-R613 PolarHBondContact O-NH1 2.88Å; L495-R613 HydrophobicContact CD1-CG 4.44Å; F516-R613 PolarHBondContact O-NH2 2.76Å; I601-R613 PolarHBondContact N-O 3.22Å; I601-R613 PolarHBondContact O-N 3.33Å; R613-I615 HydrophobicContact CG-CG1 4.5Å |
| 614 | N | 87.7 | Confident | 86 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.9 | 173 | -70.8 | -21.3 | 0 | 0 | 0 | 110.6 | V598 V599 T600 | V598-N614 HydrophobicContact CG1-CB 4.19Å; V599-N614 WeakPolarHBondContact O-CA 3.41Å; T600-N614 WeakPolarHBondContact CB-OD1 3.39Å; T600-N614 VanDerWaalsContact CG2-OD1 3.28Å; T600-N614 WeakPolarHBondContact CG2-OD1 3.09Å; T600-N614 PolarHBondContact OG1-OD1 3.15Å |
| 615 | I | 85.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.9 | -176.5 | -57.3 | 172.8 | 0 | 0 | 0 | 108.4 | L495 F519 V598 V599 I601 R613 V617 | L495-I615 HydrophobicContact CD1-CD1 3.45Å; L495-I615 VanDerWaalsContact CD1-CD1 3.45Å; L495-I615 HydrophobicContact CD1-CG1 3.65Å; L495-I615 HydrophobicContact CD2-CD1 3.75Å; L495-I615 HydrophobicContact CG-CD1 4.28Å; F519-I615 HydrophobicContact CD2-CG2 3.32Å; F519-I615 HydrophobicContact CE2-CG2 3.63Å; F519-I615 HydrophobicContact CG-CG2 4.4Å; V598-I615 CarbonylContact C-O 3.58Å; V598-I615 WeakPolarHBondContact CA-O 3.13Å; V599-I615 HydrophobicContact CB-CB 4.46Å; V599-I615 PolarHBondContact N-O 2.69Å; V599-I615 PolarHBondContact O-N 3.32Å; I601-I615 HydrophobicContact CD1-CD1 3.46Å; I601-I615 VanDerWaalsContact CD1-CD1 3.46Å; I601-I615 HydrophobicContact CG1-CD1 3.84Å; R613-I615 HydrophobicContact CG-CG1 4.5Å; I615-V617 HydrophobicContact CG2-CG2 4.48Å |
| 616 | T | 86.7 | Confident | 86.7 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 108.6 | 171.2 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | S517 Y518 F519 H596 | S517-T616 PolarHBondContact O-N 2.62Å; Y518-T616 VanDerWaalsContact CA-O 3.29Å; Y518-T616 WeakPolarHBondContact CA-O 3.45Å; F519-T616 PolarHBondContact N-O 3.16Å; H596-T616 HydrophobicContact CB-CG2 4.16Å |
| 617 | V | 87.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.4 | 166.5 | -177.1 | 0 | 0 | 0 | 0 | 107.2 | V521 V531 F556 H596 Q597 V599 I615 | V521-V617 HydrophobicContact CG1-CG1 3.69Å; V531-V617 HydrophobicContact CG1-CG1 4.17Å; V531-V617 HydrophobicContact CG1-CG2 4.22Å; F556-V617 HydrophobicContact CE1-CG1 4.21Å; F556-V617 HydrophobicContact CE1-CG2 4.35Å; F556-V617 HydrophobicContact CZ-CB 4.02Å; F556-V617 HydrophobicContact CZ-CG1 3.9Å; F556-V617 HydrophobicContact CZ-CG2 4.09Å; H596-V617 CarbonylContact C-O 3.24Å; H596-V617 WeakPolarHBondContact CA-O 3.35Å; Q597-V617 PolarHBondContact N-O 2.76Å; Q597-V617 PolarHBondContact O-N 3.11Å; V599-V617 HydrophobicContact CG2-CG2 3.87Å; I615-V617 HydrophobicContact CG2-CG2 4.48Å |
| 618 | R | 88 | Confident | 88.6 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.7 | 171.5 | -176.7 | -172.7 | 177.9 | -153.2 | -1.8 | 108.6 | F519 W520 V521 | F519-R618 PolarHBondContact O-N 2.84Å; W520-R618 WeakPolarHBondContact CA-O 3.35Å; W520-R618 HydrophobicContact CE3-CB 3.98Å; W520-R618 HydrophobicContact CE3-CG 4.4Å; W520-R618 HydrophobicContact CZ3-CB 4.32Å; V521-R618 PolarHBondContact N-O 2.97Å |
| 619 | I | 89.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.5 | 175.4 | -63.5 | 161.7 | 0 | 0 | 0 | 107.6 | V521 E523 L589 R591 T594 S595 Q597 | V521-I619 HydrophobicContact CG1-CG1 4.34Å; V521-I619 CarbonylContact O-C 3.48Å; V521-I619 WeakPolarHBondContact O-CA 3.33Å; E523-I619 HydrophobicContact CB-CG2 3.74Å; L589-I619 HydrophobicContact CB-CD1 4.03Å; L589-I619 HydrophobicContact CB-CG1 4.43Å; L589-I619 HydrophobicContact CD1-CD1 4.2Å; L589-I619 HydrophobicContact CD1-CG1 4.16Å; L589-I619 HydrophobicContact CG-CD1 4.49Å; R591-I619 HydrophobicContact CB-CG2 3.74Å; R591-I619 HydrophobicContact CG-CB 4.41Å; R591-I619 HydrophobicContact CG-CG2 4.04Å; T594-I619 VanDerWaalsContact O-CD1 3.24Å; T594-I619 WeakPolarHBondContact O-CD1 3.45Å; S595-I619 PolarHBondContact O-N 2.8Å; S595-I619 VanDerWaalsContact O-N 3.13Å; Q597-I619 HydrophobicContact CG-CD1 4.16Å |
| 620 | L | 89.8 | Confident | 89.5 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 141.7 | 178.6 | -58.2 | -178.6 | 0 | 0 | 0 | 110.2 | W520 V521 F522 E523 | W520-L620 HydrophobicContact CB-CD1 3.91Å; W520-L620 HydrophobicContact CB-CD2 4.42Å; W520-L620 HydrophobicContact CB-CG 4.14Å; W520-L620 HydrophobicContact CE3-CD2 4.36Å; V521-L620 PolarHBondContact O-N 2.84Å; F522-L620 HydrophobicContact CD1-CB 3.67Å; F522-L620 HydrophobicContact CD1-CD1 4.29Å; F522-L620 HydrophobicContact CD2-CD1 4.28Å; F522-L620 HydrophobicContact CE1-CB 3.92Å; F522-L620 HydrophobicContact CE1-CD1 3.97Å; F522-L620 HydrophobicContact CE2-CD1 3.95Å; F522-L620 HydrophobicContact CG-CB 4.13Å; F522-L620 HydrophobicContact CG-CD1 4.44Å; F522-L620 HydrophobicContact CZ-CD1 3.79Å; E523-L620 PolarHBondContact N-O 3.22Å; E523-L620 VanDerWaalsContact N-O 3.09Å |
| 621 | D | 91 | Very high | 89.2 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 123.5 | -175.2 | -162.7 | 47.6 | 0 | 0 | 0 | 112.2 | E523 R591 I679 N682 | E523-D621 VanDerWaalsContact OE1-CA 3.31Å; E523-D621 WeakPolarHBondContact OE1-CA 3.24Å; R591-D621 VanDerWaalsContact CD-OD1 3.31Å; R591-D621 WeakPolarHBondContact CD-OD1 3.34Å; R591-D621 IonicContact CZ-OD1 2.65Å; R591-D621 VanDerWaalsContact CZ-OD1 3.28Å; R591-D621 IonicContact NE-OD1 2.74Å; R591-D621 PolarHBondContact NE-OD1 3.38Å; R591-D621 VanDerWaalsContact NH1-CG 3.31Å; R591-D621 IonicContact NH1-OD1 3.02Å; R591-D621 PolarHBondContact NH1-OD1 2.88Å; R591-D621 IonicContact NH1-OD2 2.7Å; D621-I679 PolarHBondContact OD1-N 2.97Å; D621-I679 WeakPolarHBondContact OD2-CA 3.49Å; D621-I679 PolarHBondContact OD2-N 3.4Å; D621-N682 PolarHBondContact OD2-ND2 2.93Å |
| 622 | E | 90.3 | Very high | 88.9 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 168.4 | 161.7 | -72.1 | -68.9 | 175.6 | 0 | 0 | 110 | F522 E523 D624 N682 | F522-E622 HydrophobicContact CB-CG 4.38Å; F522-E622 HydrophobicContact CD1-CG 4.26Å; F522-E622 VanDerWaalsContact CD1-OE1 3.24Å; F522-E622 WeakPolarHBondContact CD1-OE1 3.5Å; E523-E622 HydrophobicContact CG-CB 3.91Å; E523-E622 HydrophobicContact CG-CG 4.07Å; E523-E622 PolarHBondContact OE1-N 2.88Å; E622-D624 PolarHBondContact O-N 3.46Å; E622-N682 PolarHBondContact O-ND2 3.25Å |
| 623 | N | 93.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -97.2 | 82.7 | 179.5 | -159.3 | 60 | 0 | 0 | 0 | 109.7 | D678 N682 D730 P734 | N623-D678 WeakPolarHBondContact CA-OD2 3.46Å; N623-N682 HydrophobicContact CB-CB 4.37Å; N623-N682 PolarHBondContact N-ND2 3.04Å; N623-N682 WeakPolarHBondContact OD1-CA 3.44Å; N623-N682 WeakPolarHBondContact OD1-CB 3.18Å; N623-N682 PolarHBondContact OD1-O 2.96Å; N623-D730 PolarHBondContact ND2-OD1 2.75Å; N623-D730 PolarHBondContact OD1-OD1 3.48Å; N623-P734 PolarHBondContact ND2-O 3.25Å |
| 624 | D | 91.8 | Very high | 88.6 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | trans | -120.7 | -24.9 | -168.4 | 114.6 | -26 | 0 | 0 | 0 | 114 | N524 E622 D678 | N524-D624 PolarHBondContact ND2-OD2 2.79Å; E622-D624 PolarHBondContact O-N 3.46Å; D624-D678 PolarHBondContact N-OD2 3.42Å | ||
| 625 | N | 91.5 | Very high | 88.6 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -92.9 | 116.6 | 172.2 | -64 | -83.8 | 0 | 0 | 0 | 110.4 | L677 D678 | N625-L677 HydrophobicContact CB-CB 3.98Å; N625-L677 HydrophobicContact CB-CG 4.44Å; N625-D678 WeakPolarHBondContact CB-OD1 3.48Å; N625-D678 PolarHBondContact N-OD1 2.52Å; N625-D678 PolarHBondContact N-OD2 2.97Å; N625-D678 PolarHBondContact ND2-OD1 2.74Å |
| 626 | R | 92.8 | Very high | 88.8 | Confident | 169 Ų | 169 | 63 Ų | 63 | 64% | 0.638 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 147.4 | 172.6 | 65 | -172.2 | 154.8 | -75.3 | 0.5 | 111.4 | K628 L736 | R626-K628 PolarHBondContact O-N 2.73Å; R626-L736 HydrophobicContact CB-CB 3.75Å; R626-L736 HydrophobicContact CB-CD1 4.06Å |
| 627 | P | 94 | Very high | 88.9 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 134.2 | 173.8 | -28 | 32.4 | 0 | 0 | 0 | 111.8 | D676 M685 A728 D730 G738 | P627-D676 VanDerWaalsContact CA-OD2 3.3Å; P627-D676 WeakPolarHBondContact CA-OD2 3.33Å; P627-D676 WeakPolarHBondContact CD-OD2 3.17Å; P627-D676 VanDerWaalsContact CG-OD2 3.23Å; P627-D676 WeakPolarHBondContact CG-OD2 3.08Å; P627-M685 HydrophobicContact CB-CE 4.41Å; P627-A728 HydrophobicContact CB-CB 3.76Å; P627-D730 WeakPolarHBondContact CD-OD2 3.14Å; P627-D730 HydrophobicContact CG-CB 4.1Å; P627-G738 WeakPolarHBondContact O-CA 3.44Å |
| 628 | K | 91.4 | Very high | 89.1 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 65% | 0.652 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.9 | -177.5 | -173.8 | 173.4 | -178.5 | 176 | 0 | 111.7 | R626 A674 S675 | R626-K628 PolarHBondContact O-N 2.73Å; K628-A674 CarbonylContact O-C 3.49Å; K628-A674 VanDerWaalsContact O-CA 3.23Å; K628-A674 WeakPolarHBondContact O-CA 3.44Å; K628-S675 PolarHBondContact N-O 3.2Å; K628-S675 PolarHBondContact O-N 3.18Å |
| 629 | F | 90.2 | Very high | 89.2 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.1 | 170.3 | -71.8 | -82.5 | 0 | 0 | 0 | 111.5 | H631 L672 A674 F687 A726 A728 T739 A740 | F629-H631 PolarHBondContact O-N 2.89Å; F629-L672 HydrophobicContact CD1-CB 4.49Å; F629-L672 HydrophobicContact CD1-CD2 3.91Å; F629-L672 HydrophobicContact CE1-CB 4.05Å; F629-L672 HydrophobicContact CE1-CD2 3.82Å; F629-L672 HydrophobicContact CE1-CG 4.38Å; F629-A674 HydrophobicContact CD1-CB 3.79Å; F629-A674 HydrophobicContact CE1-CB 4.04Å; F629-A674 HydrophobicContact CG-CB 4.13Å; F629-F687 HydrophobicContact CE1-CD1 4.09Å; F629-F687 AromaticContact CE1-CE1 3.86Å; F629-F687 HydrophobicContact CE1-CE1 3.86Å; F629-F687 HydrophobicContact CZ-CD1 4.24Å; F629-F687 HydrophobicContact CZ-CE1 4.29Å; F629-A726 HydrophobicContact CE1-CB 4.11Å; F629-A726 HydrophobicContact CE2-CB 4.47Å; F629-A726 HydrophobicContact CZ-CB 3.81Å; F629-A728 HydrophobicContact CE1-CB 4.36Å; F629-A728 HydrophobicContact CE2-CB 3.82Å; F629-A728 HydrophobicContact CZ-CB 3.64Å; F629-T739 VanDerWaalsContact CD2-C 3.44Å; F629-T739 WeakPolarHBondContact CD2-O 3.04Å; F629-A740 HydrophobicContact CB-CB 3.77Å; F629-A740 HydrophobicContact CD1-CB 4.12Å; F629-A740 HydrophobicContact CD2-CB 3.53Å; F629-A740 HydrophobicContact CE2-CB 4.1Å; F629-A740 HydrophobicContact CG-CB 3.53Å |
| 630 | S | 83.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -62.5 | -21 | 176.8 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | L673 | S630-L673 WeakPolarHBondContact CB-O 3.22Å; S630-L673 PolarHBondContact N-O 3.12Å; S630-L673 PolarHBondContact OG-O 3.4Å |
| 631 | H | 81.2 | Confident | 89.1 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | trans | -143.6 | 138.7 | 179.4 | -56.7 | 73.9 | 0 | 0 | 0 | 108.8 | F629 I633 L634 | F629-H631 PolarHBondContact O-N 2.89Å; H631-I633 VanDerWaalsContact C-N 3.33Å; H631-L634 HydrophobicContact CB-CD1 4.03Å; H631-L634 HydrophobicContact CB-CG 4.08Å; H631-L634 WeakPolarHBondContact O-CD1 3.42Å | ||
| 632 | E | 83.5 | Confident | 88.9 | Confident | 173 Ų | 173 | 59.2 Ų | 59.2 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -72.1 | -29.5 | 175.6 | -62.4 | 176.4 | 170.7 | 0 | 0 | 112.2 | T741 | E632-T741 PolarHBondContact O-N 2.73Š|
| 633 | I | 86.5 | Confident | 88.9 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 36% | 0.359 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.3 | 173.9 | -50.1 | 179.7 | 0 | 0 | 0 | 108.6 | H631 Y635 T741 Q743 | H631-I633 VanDerWaalsContact C-N 3.33Å; I633-Y635 HydrophobicContact CB-CE2 4.29Å; I633-Y635 HydrophobicContact CG2-CD2 4.4Å; I633-Y635 HydrophobicContact CG2-CE1 4.33Å; I633-Y635 HydrophobicContact CG2-CE2 3.78Å; I633-T741 CarbonylContact C-O 3.58Å; I633-T741 VanDerWaalsContact CA-O 3.31Å; I633-T741 WeakPolarHBondContact CA-O 3.15Å; I633-T741 HydrophobicContact CG2-CG2 4.46Å; I633-Q743 HydrophobicContact CG2-CG 4.26Å |
| 634 | L | 84.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.6 | 172 | -71.2 | 90.5 | 0 | 0 | 0 | 110.6 | H631 L636 L672 A740 T741 Q743 | H631-L634 HydrophobicContact CB-CD1 4.03Å; H631-L634 HydrophobicContact CB-CG 4.08Å; H631-L634 WeakPolarHBondContact O-CD1 3.42Å; L634-L636 HydrophobicContact CB-CD2 4.44Å; L634-L672 HydrophobicContact CD1-CD2 3.65Å; L634-L672 HydrophobicContact CD2-CD2 3.57Å; L634-L672 HydrophobicContact CD2-CG 4.41Å; L634-L672 HydrophobicContact CG-CD2 4.18Å; L634-A740 HydrophobicContact CD1-CB 4.11Å; L634-T741 PolarHBondContact N-O 3.4Å; L634-Q743 PolarHBondContact O-N 3.03Å |
| 635 | Y | 86.4 | Confident | 88.4 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 109.5 | 173.7 | -63.2 | -85.8 | 0 | 0 | 0 | 109.4 | I633 Q651 Q743 | I633-Y635 HydrophobicContact CB-CE2 4.29Å; I633-Y635 HydrophobicContact CG2-CD2 4.4Å; I633-Y635 HydrophobicContact CG2-CE1 4.33Å; I633-Y635 HydrophobicContact CG2-CE2 3.78Å; Y635-Q651 PolarHBondContact O-N 3.13Å; Y635-Q743 HydrophobicContact CD1-CB 4.15Å; Y635-Q743 HydrophobicContact CE1-CB 4.37Å; Y635-Q743 HydrophobicContact CE1-CG 4.49Å |
| 636 | L | 90 | Very high | 88.4 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 160.7 | 177.7 | -46.7 | -179 | 0 | 0 | 0 | 109.8 | L634 V648 I649 Q650 I708 V742 Q743 I744 I745 | L634-L636 HydrophobicContact CB-CD2 4.44Å; L636-V648 HydrophobicContact CB-CG1 3.55Å; L636-V648 HydrophobicContact CD1-CB 4.49Å; L636-V648 HydrophobicContact CD1-CG1 4.28Å; L636-I649 CarbonylContact C-O 3.6Å; L636-I649 VanDerWaalsContact CA-O 3.28Å; L636-I649 WeakPolarHBondContact CA-O 3.46Å; L636-Q650 HydrophobicContact CD2-CB 4.07Å; L636-Q650 HydrophobicContact CD2-CG 4.3Å; L636-I708 HydrophobicContact CD1-CD1 3.94Å; L636-V742 HydrophobicContact CD1-CG1 3.58Å; L636-V742 HydrophobicContact CG-CG1 4.03Å; L636-Q743 PolarHBondContact N-O 2.98Å; L636-I744 HydrophobicContact CB-CG1 4.38Å; L636-I744 WeakPolarHBondContact O-CA 3.24Å; L636-I745 PolarHBondContact O-N 2.93Å |
| 637 | Q | 90.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 15% | 0.15 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149.4 | 179.9 | 65.7 | -170.6 | 15.3 | 0 | 0 | 111.3 | V648 I649 I745 | Q637-V648 WeakPolarHBondContact O-CG1 3.4Å; Q637-I649 HydrophobicContact CG-CD1 4.34Å; Q637-I649 HydrophobicContact CG-CG1 3.83Å; Q637-I649 PolarHBondContact N-O 3.16Å; Q637-I649 VanDerWaalsContact O-CG1 3.32Å; Q637-I649 WeakPolarHBondContact O-CG1 3.5Å; Q637-I649 PolarHBondContact O-N 2.89Å; Q637-I745 VanDerWaalsContact CA-O 3.26Å; Q637-I745 WeakPolarHBondContact CA-O 3.45Å; Q637-I745 HydrophobicContact CB-CB 4.46Å |
| 638 | V | 91.3 | Very high | 88 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.4 | 171.3 | 63.3 | 0 | 0 | 0 | 0 | 109.1 | A642 T646 V648 T710 I744 I745 I746 N747 | V638-A642 HydrophobicContact CG2-CB 3.79Å; V638-T646 HydrophobicContact CG2-CG2 3.96Å; V638-V648 HydrophobicContact CB-CG1 4.19Å; V638-T710 HydrophobicContact CG2-CG2 4.03Å; V638-I744 HydrophobicContact CG1-CG2 4.19Å; V638-I745 PolarHBondContact N-O 3.24Å; V638-I746 HydrophobicContact CG1-CD1 3.7Å; V638-I746 CarbonylContact O-C 3.55Å; V638-I746 WeakPolarHBondContact O-CA 3.23Å; V638-N747 PolarHBondContact O-N 2.98Å |
| 639 | D | 89.9 | Confident | 87.5 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 142.1 | 174.9 | -56.9 | -14 | 0 | 0 | 0 | 108.9 | A642 N747 L749 K850 | D639-A642 WeakPolarHBondContact O-CB 3.49Å; D639-N747 PolarHBondContact OD1-ND2 2.96Å; D639-L749 HydrophobicContact CB-CD1 4.43Å; D639-K850 IonicContact OD2-NZ 2.83Å; D639-K850 PolarHBondContact OD2-NZ 2.83Å |
| 640 | E | 89.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 170.7 | 175.1 | 83.3 | -169.4 | 114.7 | 0 | 0 | 112.4 | A642 R716 I746 N747 D748 L749 | E640-A642 PolarHBondContact O-N 2.94Å; E640-R716 WeakPolarHBondContact OE2-CB 3.46Å; E640-R716 PolarHBondContact OE2-N 3.46Å; E640-I746 HydrophobicContact CB-CG2 3.56Å; E640-N747 PolarHBondContact N-O 2.99Å; E640-D748 WeakPolarHBondContact OE1-CA 3.42Å; E640-L749 HydrophobicContact CG-CB 3.98Å; E640-L749 HydrophobicContact CG-CD1 4.23Å; E640-L749 HydrophobicContact CG-CG 4.02Å; E640-L749 WeakPolarHBondContact O-CD1 3.47Å; E640-L749 PolarHBondContact OE1-N 3.1Å |
| 641 | N | 88.4 | Confident | 85.6 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 9.5 | -167.5 | -76.1 | -75.6 | 0 | 0 | 0 | 114.4 | F714 D751 | N641-F714 PolarHBondContact N-O 3.27Å; N641-D751 PolarHBondContact ND2-OD2 2.89Å |
| 642 | A | 86.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 131 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V638 D639 E640 T646 | V638-A642 HydrophobicContact CG2-CB 3.79Å; D639-A642 WeakPolarHBondContact O-CB 3.49Å; E640-A642 PolarHBondContact O-N 2.94Å; A642-T646 HydrophobicContact CB-CG2 4.02Å |
| 643 | P | 89 | Confident | 82.2 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 156.8 | -176.9 | 27.6 | -34.8 | 0 | 0 | 0 | 111.7 | G645 T646 T710 | P643-G645 PolarHBondContact O-N 3.3Å; P643-T646 WeakPolarHBondContact CD-OG1 3.47Å; P643-T646 WeakPolarHBondContact O-CB 3.46Å; P643-T646 PolarHBondContact O-N 2.92Å; P643-T646 VanDerWaalsContact O-N 3.11Å; P643-T646 PolarHBondContact O-OG1 3.41Å; P643-T710 PolarHBondContact O-OG1 2.85Å |
| 644 | Y | 87.9 | Confident | 79.9 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 132.7 | 172.6 | -49.6 | -77.2 | 0 | 0 | 0 | 112 | M711 I713 | Y644-M711 WeakPolarHBondContact CD1-O 3.49Å; Y644-I713 HydrophobicContact CD1-CG1 4.5Å; Y644-I713 HydrophobicContact CE1-CG1 3.98Å; Y644-I713 HydrophobicContact CE2-CD1 3.88Å; Y644-I713 HydrophobicContact CE2-CG1 4.05Å |
| 645 | G | 87.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 3.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | P643 Q647 T710 | P643-G645 PolarHBondContact O-N 3.3Å; G645-Q647 PolarHBondContact O-N 2.92Å; G645-T710 PolarHBondContact N-O 2.78Å; G645-T710 PolarHBondContact N-OG1 2.71Å |
| 646 | T | 90.9 | Very high | 75.3 | Confident | 43 Ų | 43 | 75 Ų | 75 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 133 | 172.3 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | V638 A642 P643 T709 T710 | V638-T646 HydrophobicContact CG2-CG2 3.96Å; A642-T646 HydrophobicContact CB-CG2 4.02Å; P643-T646 WeakPolarHBondContact CD-OG1 3.47Å; P643-T646 WeakPolarHBondContact O-CB 3.46Å; P643-T646 PolarHBondContact O-N 2.92Å; P643-T646 VanDerWaalsContact O-N 3.11Å; P643-T646 PolarHBondContact O-OG1 3.41Å; T646-T709 CarbonylContact O-C 3.55Å; T646-T709 VanDerWaalsContact O-CA 3.25Å; T646-T709 WeakPolarHBondContact O-CA 3.06Å; T646-T710 PolarHBondContact N-OG1 2.92Å; T646-T710 PolarHBondContact O-N 3.24Å; T646-T710 PolarHBondContact O-OG1 2.85Å |
| 647 | Q | 88.5 | Confident | 72.6 | Confident | 91 Ų | 91 | 85.7 Ų | 85.7 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 131.5 | 177.7 | -70.1 | 172.5 | -14.7 | 0 | 0 | 110.5 | G645 I707 I708 T709 | G645-Q647 PolarHBondContact O-N 2.92Å; Q647-I707 HydrophobicContact CG-CG2 3.89Å; Q647-I708 WeakPolarHBondContact CA-O 3.34Å; Q647-T709 HydrophobicContact CG-CG2 3.81Å |
| 648 | V | 89.3 | Confident | 69.9 | Low | 11 Ų | 11 | 87.4 Ų | 87.4 | 7% | 0.067 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 128.9 | 177 | -165.5 | 0 | 0 | 0 | 0 | 108.2 | L636 Q637 V638 F699 I708 I744 | L636-V648 HydrophobicContact CB-CG1 3.55Å; L636-V648 HydrophobicContact CD1-CB 4.49Å; L636-V648 HydrophobicContact CD1-CG1 4.28Å; Q637-V648 WeakPolarHBondContact O-CG1 3.4Å; V638-V648 HydrophobicContact CB-CG1 4.19Å; V648-F699 HydrophobicContact CG2-CD1 3.99Å; V648-F699 HydrophobicContact CG2-CE1 4.02Å; V648-I708 HydrophobicContact CB-CG2 4.47Å; V648-I708 HydrophobicContact CG2-CB 4.4Å; V648-I708 HydrophobicContact CG2-CG2 3.86Å; V648-I708 PolarHBondContact N-O 3.1Å; V648-I744 HydrophobicContact CG1-CD1 4.34Å; V648-I744 HydrophobicContact CG1-CG1 4.33Å; V648-I744 HydrophobicContact CG1-CG2 3.64Å; V648-I744 HydrophobicContact CG2-CD1 4.42Å |
| 649 | I | 80.4 | Confident | 67.1 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.1 | -171.3 | 56.3 | 170.4 | 0 | 0 | 0 | 111.9 | L636 Q637 | L636-I649 CarbonylContact C-O 3.6Å; L636-I649 VanDerWaalsContact CA-O 3.28Å; L636-I649 WeakPolarHBondContact CA-O 3.46Å; Q637-I649 HydrophobicContact CG-CD1 4.34Å; Q637-I649 HydrophobicContact CG-CG1 3.83Å; Q637-I649 PolarHBondContact N-O 3.16Å; Q637-I649 VanDerWaalsContact O-CG1 3.32Å; Q637-I649 WeakPolarHBondContact O-CG1 3.5Å; Q637-I649 PolarHBondContact O-N 2.89Å |
| 650 | Q | 72.5 | Confident | 64.6 | Low | 77 Ų | 77 | 103 Ų | 103 | 36% | 0.36 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.1 | 176.8 | -168.7 | 175.4 | 11.1 | 0 | 0 | 111 | L636 S652 | L636-Q650 HydrophobicContact CD2-CB 4.07Å; L636-Q650 HydrophobicContact CD2-CG 4.3Å; Q650-S652 PolarHBondContact O-N 2.83Å |
| 651 | Q | 62.8 | Low | 61.9 | Low | 76 Ų | 76 | 109.9 Ų | 109.9 | 36% | 0.355 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -69 | 117.9 | 178.8 | -177.9 | 172.7 | 76.2 | 0 | 0 | 110.8 | Y635 Q653 | Y635-Q651 PolarHBondContact O-N 3.13Å; Q651-Q653 PolarHBondContact O-N 2.91Å; Q651-Q653 VanDerWaalsContact O-N 3.15Å |
| 652 | S | 49.6 | Very low | 59.1 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | trans | -78.3 | 99.2 | -176.8 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | Q650 K654 | Q650-S652 PolarHBondContact O-N 2.83Å; S652-K654 PolarHBondContact O-N 3.32Å; S652-K654 VanDerWaalsContact O-N 3.09Å | ||
| 653 | Q | 43 | Very low | 56.6 | Low | 161 Ų | 161 | 118.9 Ų | 118.9 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -60.1 | 114.6 | 172.8 | -69.8 | -171.8 | -6 | 0 | 0 | 110.9 | Q651 V655 | Q651-Q653 PolarHBondContact O-N 2.91Å; Q651-Q653 VanDerWaalsContact O-N 3.15Å; Q653-V655 VanDerWaalsContact C-N 3.28Å; Q653-V655 PolarHBondContact O-N 3.38Å | ||
| 654 | K | 39 | Very low | 53.9 | Low | 160 Ų | 160 | 123.6 Ų | 123.6 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 78.2 | 173.2 | -78.8 | 177.2 | 170.1 | 174.7 | 0 | 111.1 | S652 N656 S845 | S652-K654 PolarHBondContact O-N 3.32Å; S652-K654 VanDerWaalsContact O-N 3.09Å; K654-N656 PolarHBondContact O-N 2.72Å; K654-S845 VanDerWaalsContact CE-OG 3.26Å; K654-S845 WeakPolarHBondContact CE-OG 3.44Å; K654-S845 PolarHBondContact NZ-OG 3.47Å | ||
| 655 | V | 36.6 | Very low | 51.1 | Low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -66.2 | 124.8 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | Q653 R657 | Q653-V655 VanDerWaalsContact C-N 3.28Å; Q653-V655 PolarHBondContact O-N 3.38Å; V655-R657 PolarHBondContact O-N 3.44Å | ||
| 656 | N | 37.3 | Very low | 48.2 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | trans | -73.3 | 109.6 | -174 | -90.3 | -46.6 | 0 | 0 | 0 | 112.8 | K654 | K654-N656 PolarHBondContact O-N 2.72Š| ||
| 657 | R | 34 | Very low | 45.2 | Very low | 239 Ų | 239 | 130.9 Ų | 130.9 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | trans | 28.6 | 106.5 | 154.9 | -69.3 | -177.9 | 171.6 | 178.8 | -1.7 | 117.9 | V655 | V655-R657 PolarHBondContact O-N 3.44Š| ||
| 658 | G | 32.2 | Very low | 42.6 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -163.3 | 65.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 659 | H | 32.4 | Very low | 40.2 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | 57.7 | 112.9 | 176.6 | -64.9 | 81 | 0 | 0 | 0 | 117 | ||||
| 660 | F | 37.6 | Very low | 39 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 90% | 0.899 | 73% | 0.725 | S | S | * | * | -175.7 | 142 | 116.8 | -99.9 | -67.8 | 0 | 0 | 0 | 109.4 | |||||
| 661 | N | 33 | Very low | 38.4 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -96 | 154.1 | -178.5 | -68.9 | -17 | 0 | 0 | 0 | 111.4 | ||||
| 662 | N | 30.8 | Very low | 38.9 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | 62.8 | 72.1 | 160.4 | -59.3 | 0.8 | 0 | 0 | 0 | 117.4 | ||||
| 663 | V | 33.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -123.8 | 118.3 | 139.5 | 180 | 0 | 0 | 0 | 0 | 107.8 | Q665 | V663-Q665 PolarHBondContact O-N 2.73Å; V663-Q665 VanDerWaalsContact O-N 3.14Å | ||
| 664 | H | 31.9 | Very low | 42.6 | Very low | 183 Ų | 183 | 124 Ų | 124 | 85% | 0.847 | 67% | 0.665 | S | S | * | * | trans | -70.1 | 106.4 | 166.2 | -86.9 | -89.2 | 0 | 0 | 0 | 108 | T666 | H664-T666 VanDerWaalsContact C-N 3.29Å; H664-T666 PolarHBondContact O-N 3.47Å | ||
| 665 | Q | 29.4 | Very low | 45 | Very low | 189 Ų | 189 | 119.8 Ų | 119.8 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | trans | -67.9 | 89.7 | 169 | -73.4 | 179.6 | -25.9 | 0 | 0 | 109.3 | V663 G667 | V663-Q665 PolarHBondContact O-N 2.73Å; V663-Q665 VanDerWaalsContact O-N 3.14Å; Q665-G667 PolarHBondContact O-N 2.79Å | ||
| 666 | T | 28 | Very low | 47.7 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | trans | -60.9 | 116.1 | 157 | 49.8 | 0 | 0 | 0 | 0 | 107.1 | H664 S668 | H664-T666 VanDerWaalsContact C-N 3.29Å; H664-T666 PolarHBondContact O-N 3.47Å; T666-S668 PolarHBondContact O-N 2.74Å | ||
| 667 | G | 28.4 | Very low | 50.4 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | trans | -59.1 | 97.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q665 | Q665-G667 PolarHBondContact O-N 2.79Š| ||
| 668 | S | 32.1 | Very low | 53.2 | Low | 78 Ų | 78 | 101.4 Ų | 101.4 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | trans | -79.5 | 128.5 | 173.4 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | T666 Q670 | T666-S668 PolarHBondContact O-N 2.74Å; S668-Q670 PolarHBondContact O-N 3.1Å | ||
| 669 | L | 40.7 | Very low | 56 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | trans | -59.4 | 100.4 | 177.3 | -68.6 | 144.6 | 0 | 0 | 0 | 109.6 | G671 I707 | L669-G671 PolarHBondContact O-N 3.04Å; L669-I707 HydrophobicContact CB-CD1 4.12Å | ||
| 670 | Q | 54.3 | Low | 58.7 | Low | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | trans | -88.5 | 92.8 | 178.7 | -76.1 | 178.9 | -69.3 | 0 | 0 | 109.8 | S668 | S668-Q670 PolarHBondContact O-N 3.1Š| ||
| 671 | G | 60.9 | Low | 61.2 | Low | 14 Ų | 14 | 91.2 Ų | 91.2 | 14% | 0.144 | 52% | 0.522 | C | S | . | . | trans | -72.3 | 176.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L669 L673 G706 | L669-G671 PolarHBondContact O-N 3.04Å; G671-L673 PolarHBondContact O-N 3.1Å; G671-G706 WeakPolarHBondContact CA-O 3.49Å | ||
| 672 | L | 73.1 | Confident | 63.9 | Low | 9 Ų | 9 | 85 Ų | 85 | 5% | 0.047 | 49% | 0.489 | C | S | . | . | trans | -56 | 107.9 | 171.4 | -87.3 | 153.3 | 0 | 0 | 0 | 111.1 | F629 L634 A674 F687 I701 G706 I708 A726 V742 | F629-L672 HydrophobicContact CD1-CB 4.49Å; F629-L672 HydrophobicContact CD1-CD2 3.91Å; F629-L672 HydrophobicContact CE1-CB 4.05Å; F629-L672 HydrophobicContact CE1-CD2 3.82Å; F629-L672 HydrophobicContact CE1-CG 4.38Å; L634-L672 HydrophobicContact CD1-CD2 3.65Å; L634-L672 HydrophobicContact CD2-CD2 3.57Å; L634-L672 HydrophobicContact CD2-CG 4.41Å; L634-L672 HydrophobicContact CG-CD2 4.18Å; L672-A674 PolarHBondContact O-N 2.7Å; L672-F687 HydrophobicContact CB-CE1 4.47Å; L672-I701 HydrophobicContact CD1-CD1 3.4Å; L672-G706 PolarHBondContact N-O 2.88Å; L672-I708 HydrophobicContact CD1-CD1 3.81Å; L672-I708 HydrophobicContact CD1-CG1 4.13Å; L672-A726 HydrophobicContact CD1-CB 3.67Å; L672-A726 HydrophobicContact CD2-CB 4.11Å; L672-V742 HydrophobicContact CD1-CG2 4.35Å; L672-V742 HydrophobicContact CD2-CG2 4.13Å | ||
| 673 | L | 81.8 | Confident | 66.8 | Low | 100 Ų | 100 | 79.3 Ų | 79.3 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | trans | -80.5 | 107.4 | 175.1 | -71 | 169.3 | 0 | 0 | 0 | 109.8 | S630 G671 | S630-L673 WeakPolarHBondContact CB-O 3.22Å; S630-L673 PolarHBondContact N-O 3.12Å; S630-L673 PolarHBondContact OG-O 3.4Å; G671-L673 PolarHBondContact O-N 3.1Å | ||
| 674 | A | 87.5 | Confident | 69.5 | Low | 22 Ų | 22 | 78 Ų | 78 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 155.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K628 F629 L672 M685 F687 A728 | K628-A674 CarbonylContact O-C 3.49Å; K628-A674 VanDerWaalsContact O-CA 3.23Å; K628-A674 WeakPolarHBondContact O-CA 3.44Å; F629-A674 HydrophobicContact CD1-CB 3.79Å; F629-A674 HydrophobicContact CE1-CB 4.04Å; F629-A674 HydrophobicContact CG-CB 4.13Å; L672-A674 PolarHBondContact O-N 2.7Å; A674-M685 HydrophobicContact CB-SD 3.77Å; A674-F687 HydrophobicContact CB-CE1 3.83Å; A674-F687 HydrophobicContact CB-CZ 4.13Å; A674-A728 HydrophobicContact CB-CB 4.15Å |
| 675 | S | 90.4 | Very high | 72.3 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.1 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | K628 | K628-S675 PolarHBondContact N-O 3.2Å; K628-S675 PolarHBondContact O-N 3.18Å |
| 676 | D | 93.2 | Very high | 75.3 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | trans | -122.4 | 155.7 | 173.2 | -160.9 | -65.3 | 0 | 0 | 0 | 107.9 | P627 D678 M685 | P627-D676 VanDerWaalsContact CA-OD2 3.3Å; P627-D676 WeakPolarHBondContact CA-OD2 3.33Å; P627-D676 WeakPolarHBondContact CD-OD2 3.17Å; P627-D676 VanDerWaalsContact CG-OD2 3.23Å; P627-D676 WeakPolarHBondContact CG-OD2 3.08Å; D676-D678 PolarHBondContact OD1-N 2.94Å; D676-D678 VanDerWaalsContact OD1-N 3.09Å; D676-M685 HydrophobicContact CB-CE 3.6Å | ||
| 677 | L | 92.5 | Very high | 78.4 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | trans | -104.6 | -21 | -173.2 | -57.4 | -177.3 | 0 | 0 | 0 | 113.1 | R591 E592 N625 | R591-L677 PolarHBondContact NH2-O 3.44Å; E592-L677 HydrophobicContact CG-CB 3.78Å; E592-L677 HydrophobicContact CG-CD1 4.38Å; N625-L677 HydrophobicContact CB-CB 3.98Å; N625-L677 HydrophobicContact CB-CG 4.44Å | ||
| 678 | D | 93.9 | Very high | 81.5 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -74 | -172.3 | -175.3 | -59 | -2.5 | 0 | 0 | 0 | 110.4 | R591 N623 D624 N625 D676 N682 S683 | R591-D678 VanDerWaalsContact NH1-C 3.35Å; N623-D678 WeakPolarHBondContact CA-OD2 3.46Å; D624-D678 PolarHBondContact N-OD2 3.42Å; N625-D678 WeakPolarHBondContact CB-OD1 3.48Å; N625-D678 PolarHBondContact N-OD1 2.52Å; N625-D678 PolarHBondContact N-OD2 2.97Å; N625-D678 PolarHBondContact ND2-OD1 2.74Å; D676-D678 PolarHBondContact OD1-N 2.94Å; D676-D678 VanDerWaalsContact OD1-N 3.09Å; D678-N682 HydrophobicContact CB-CB 3.37Å; D678-S683 VanDerWaalsContact C-OG 3.23Å; D678-S683 WeakPolarHBondContact O-CB 3.31Å; D678-S683 PolarHBondContact O-OG 2.86Å |
| 679 | I | 90.1 | Very high | 84.4 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 54% | 0.544 | 30% | 0.3 | S | S | . | . | trans | -123.6 | 150.9 | 179.9 | -81 | 169.4 | 0 | 0 | 0 | 113.7 | R591 D621 I681 N682 S683 | R591-I679 VanDerWaalsContact NH1-CD1 3.31Å; D621-I679 PolarHBondContact OD1-N 2.97Å; D621-I679 WeakPolarHBondContact OD2-CA 3.49Å; D621-I679 PolarHBondContact OD2-N 3.4Å; I679-I681 PolarHBondContact O-N 3.49Å; I679-I681 VanDerWaalsContact O-N 3.11Å; I679-N682 PolarHBondContact O-N 2.89Å; I679-S683 WeakPolarHBondContact CA-OG 3.38Å | ||
| 680 | G | 89.2 | Confident | 86.9 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -113.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q684 | G680-Q684 VanDerWaalsContact C-NE2 3.32Å; G680-Q684 WeakPolarHBondContact O-CB 3.21Å; G680-Q684 WeakPolarHBondContact O-CG 3.32Å; G680-Q684 PolarHBondContact O-N 2.89Å; G680-Q684 PolarHBondContact O-NE2 2.88Å |
| 681 | I | 90.5 | Very high | 88.5 | Confident | 97 Ų | 97 | 46 Ų | 46 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -32.2 | 178.8 | 63.3 | 178.7 | 0 | 0 | 0 | 111.7 | I679 S683 Q684 H731 G732 | I679-I681 PolarHBondContact O-N 3.49Å; I679-I681 VanDerWaalsContact O-N 3.11Å; I681-S683 VanDerWaalsContact C-N 3.31Å; I681-S683 PolarHBondContact O-N 3.42Å; I681-Q684 PolarHBondContact O-N 3.04Å; I681-H731 HydrophobicContact CB-CB 4.15Å; I681-H731 CarbonylContact O-C 3.58Å; I681-H731 WeakPolarHBondContact O-CA 3.37Å; I681-H731 WeakPolarHBondContact O-CB 3.13Å; I681-H731 PolarHBondContact O-N 3.46Å; I681-H731 VanDerWaalsContact O-N 3.11Å; I681-G732 PolarHBondContact O-N 2.76Å |
| 682 | N | 90.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 53 Ų | 53 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.5 | -177.3 | -65.7 | 6.9 | 0 | 0 | 0 | 112.1 | D621 E622 N623 D678 I679 D730 | D621-N682 PolarHBondContact OD2-ND2 2.93Å; E622-N682 PolarHBondContact O-ND2 3.25Å; N623-N682 HydrophobicContact CB-CB 4.37Å; N623-N682 PolarHBondContact N-ND2 3.04Å; N623-N682 WeakPolarHBondContact OD1-CA 3.44Å; N623-N682 WeakPolarHBondContact OD1-CB 3.18Å; N623-N682 PolarHBondContact OD1-O 2.96Å; D678-N682 HydrophobicContact CB-CB 3.37Å; I679-N682 PolarHBondContact O-N 2.89Å; N682-D730 WeakPolarHBondContact O-CB 3.35Å |
| 683 | S | 90.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 6 | 172.7 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | D678 I679 I681 M685 | D678-S683 VanDerWaalsContact C-OG 3.23Å; D678-S683 WeakPolarHBondContact O-CB 3.31Å; D678-S683 PolarHBondContact O-OG 2.86Å; I679-S683 WeakPolarHBondContact CA-OG 3.38Å; I681-S683 VanDerWaalsContact C-N 3.31Å; I681-S683 PolarHBondContact O-N 3.42Å; S683-M685 PolarHBondContact O-N 3.1Å |
| 684 | Q | 90.5 | Very high | 90.2 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | trans | -83.4 | 105.5 | 171 | -95 | 172.8 | 98.6 | 0 | 0 | 109.9 | G680 I681 D730 H731 | G680-Q684 VanDerWaalsContact C-NE2 3.32Å; G680-Q684 WeakPolarHBondContact O-CB 3.21Å; G680-Q684 WeakPolarHBondContact O-CG 3.32Å; G680-Q684 PolarHBondContact O-N 2.89Å; G680-Q684 PolarHBondContact O-NE2 2.88Å; I681-Q684 PolarHBondContact O-N 3.04Å; Q684-D730 CarbonylContact O-C 3.42Å; Q684-D730 WeakPolarHBondContact O-CA 3.43Å; Q684-H731 PolarHBondContact O-CD2 2.8Å; Q684-H731 PolarHBondContact O-N 3.02Å; Q684-H731 PolarHBondContact O-NE2 2.99Å | ||
| 685 | M | 90.7 | Very high | 90 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | trans | -101.7 | 152.5 | -176.5 | 68.2 | -168.3 | 70.3 | 0 | 0 | 115.1 | P627 A674 D676 S683 F687 A728 V729 | P627-M685 HydrophobicContact CB-CE 4.41Å; A674-M685 HydrophobicContact CB-SD 3.77Å; D676-M685 HydrophobicContact CB-CE 3.6Å; S683-M685 PolarHBondContact O-N 3.1Å; M685-F687 HydrophobicContact CG-CE2 4.08Å; M685-F687 HydrophobicContact CG-CZ 4.04Å; M685-F687 HydrophobicContact SD-CE1 4.11Å; M685-F687 HydrophobicContact SD-CE2 4.24Å; M685-F687 HydrophobicContact SD-CZ 3.61Å; M685-A728 HydrophobicContact SD-CB 4.16Å; M685-V729 CarbonylContact C-O 3.58Å; M685-V729 VanDerWaalsContact CA-O 3.29Å; M685-V729 WeakPolarHBondContact CA-O 3.48Å | ||
| 686 | T | 93 | Very high | 89.8 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.3 | 169.3 | -41.4 | 0 | 0 | 0 | 0 | 109.5 | F688 S703 V729 H731 | T686-F688 HydrophobicContact CG2-CE1 4.25Å; T686-F688 HydrophobicContact CG2-CE2 3.76Å; T686-F688 HydrophobicContact CG2-CZ 3.58Å; T686-S703 WeakPolarHBondContact CA-O 3.36Å; T686-V729 PolarHBondContact N-O 3.44Å; T686-V729 PolarHBondContact O-N 2.93Å; T686-H731 PolarHBondContact OG1-NE2 3.28Å |
| 687 | F | 93.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.6 | 176.2 | -65.5 | -79.7 | 0 | 0 | 0 | 112.7 | F629 L672 A674 M685 I701 S703 L727 A728 | F629-F687 HydrophobicContact CE1-CD1 4.09Å; F629-F687 AromaticContact CE1-CE1 3.86Å; F629-F687 HydrophobicContact CE1-CE1 3.86Å; F629-F687 HydrophobicContact CZ-CD1 4.24Å; F629-F687 HydrophobicContact CZ-CE1 4.29Å; L672-F687 HydrophobicContact CB-CE1 4.47Å; A674-F687 HydrophobicContact CB-CE1 3.83Å; A674-F687 HydrophobicContact CB-CZ 4.13Å; M685-F687 HydrophobicContact CG-CE2 4.08Å; M685-F687 HydrophobicContact CG-CZ 4.04Å; M685-F687 HydrophobicContact SD-CE1 4.11Å; M685-F687 HydrophobicContact SD-CE2 4.24Å; M685-F687 HydrophobicContact SD-CZ 3.61Å; F687-I701 HydrophobicContact CB-CD1 3.72Å; F687-I701 HydrophobicContact CB-CG1 4.11Å; F687-I701 HydrophobicContact CG-CD1 4.47Å; F687-S703 PolarHBondContact N-O 3.23Å; F687-L727 WeakPolarHBondContact CA-O 3.18Å; F687-A728 HydrophobicContact CD1-CB 4.07Å; F687-A728 HydrophobicContact CE1-CB 3.92Å |
| 688 | F | 92.9 | Very high | 89.5 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.3 | 172.2 | -53.7 | -90.2 | 0 | 0 | 0 | 110.8 | T686 A726 L727 V729 | T686-F688 HydrophobicContact CG2-CE1 4.25Å; T686-F688 HydrophobicContact CG2-CE2 3.76Å; T686-F688 HydrophobicContact CG2-CZ 3.58Å; F688-A726 WeakPolarHBondContact O-CA 3.19Å; F688-L727 HydrophobicContact CB-CB 4.21Å; F688-L727 HydrophobicContact CB-CD1 4.44Å; F688-L727 HydrophobicContact CD2-CB 4.5Å; F688-L727 PolarHBondContact N-O 2.86Å; F688-L727 PolarHBondContact O-N 3.05Å; F688-V729 HydrophobicContact CD2-CG2 3.91Å; F688-V729 HydrophobicContact CE2-CB 4.14Å; F688-V729 HydrophobicContact CE2-CG2 3.85Å |
| 689 | L | 93.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 114 | -177.1 | -174.7 | 67.7 | 0 | 0 | 0 | 109.9 | S696 F699 I701 I708 L724 A726 V742 | L689-S696 PolarHBondContact O-N 2.81Å; L689-F699 HydrophobicContact CD2-CB 3.8Å; L689-I701 HydrophobicContact CB-CB 3.86Å; L689-I701 HydrophobicContact CB-CD1 4.41Å; L689-I701 HydrophobicContact CB-CG2 3.67Å; L689-I701 HydrophobicContact CD2-CB 4.28Å; L689-I708 HydrophobicContact CD1-CD1 4.01Å; L689-I708 HydrophobicContact CD2-CD1 3.93Å; L689-I708 HydrophobicContact CD2-CG1 4.16Å; L689-I708 HydrophobicContact CD2-CG2 3.98Å; L689-L724 HydrophobicContact CD1-CB 3.78Å; L689-L724 HydrophobicContact CD1-CD1 3.95Å; L689-L724 HydrophobicContact CD2-CD1 3.87Å; L689-L724 HydrophobicContact CG-CB 4.38Å; L689-L724 HydrophobicContact CG-CD1 4Å; L689-A726 HydrophobicContact CD1-CB 4.44Å; L689-V742 HydrophobicContact CD1-CG2 4.47Å |
| 690 | L | 91.9 | Very high | 89.6 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.1 | -175.4 | -56 | -177.4 | 0 | 0 | 0 | 112.2 | I694 N695 L724 I725 L727 | L690-I694 CarbonylContact C-O 3.47Å; L690-I694 WeakPolarHBondContact CA-O 3.2Å; L690-N695 WeakPolarHBondContact CD2-OD1 3.13Å; L690-L724 CarbonylContact O-C 3.57Å; L690-L724 VanDerWaalsContact O-CA 3.29Å; L690-L724 WeakPolarHBondContact O-CA 3.06Å; L690-L724 WeakPolarHBondContact O-CB 3.39Å; L690-I725 HydrophobicContact CB-CB 4.47Å; L690-I725 PolarHBondContact N-O 3.16Å; L690-I725 PolarHBondContact O-N 3.19Å; L690-L727 HydrophobicContact CD1-CD1 3.82Å; L690-L727 HydrophobicContact CD1-CG 4.31Å; L690-L727 HydrophobicContact CG-CD1 4.29Å |
| 691 | E | 88.6 | Confident | 89.7 | Confident | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.2 | 169.8 | -165.8 | 165.1 | -172.2 | 0 | 0 | 105.8 | G693 I694 S696 K719 Y722 L724 | E691-G693 PolarHBondContact O-N 3.42Å; E691-I694 PolarHBondContact N-O 2.89Å; E691-I694 PolarHBondContact O-N 3.48Å; E691-S696 WeakPolarHBondContact OE2-CB 3.11Å; E691-S696 PolarHBondContact OE2-OG 2.81Å; E691-K719 IonicContact OE1-NZ 3.67Å; E691-Y722 WeakPolarHBondContact OE1-CD1 3.41Å; E691-L724 HydrophobicContact CB-CD2 3.62Å; E691-L724 HydrophobicContact CG-CD2 3.62Å |
| 692 | D | 84.3 | Confident | 89.7 | Confident | 161 Ų | 161 | 58.4 Ų | 58.4 | 86% | 0.861 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 32.9 | -176.3 | -56.5 | -33.7 | 0 | 0 | 0 | 115.3 | ||
| 693 | G | 80 | Confident | 89.7 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 1.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | E691 | E691-G693 PolarHBondContact O-N 3.42Š|
| 694 | I | 86.4 | Confident | 89.5 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 64% | 0.641 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 154.7 | 176.6 | -58.1 | 174.8 | 0 | 0 | 0 | 108.3 | L690 E691 S696 | L690-I694 CarbonylContact C-O 3.47Å; L690-I694 WeakPolarHBondContact CA-O 3.2Å; E691-I694 PolarHBondContact N-O 2.89Å; E691-I694 PolarHBondContact O-N 3.48Å; I694-S696 PolarHBondContact O-N 2.95Å |
| 695 | N | 84.3 | Confident | 89.3 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 128.3 | 172.3 | -69.1 | -13.5 | 0 | 0 | 0 | 110.6 | L690 T697 | L690-N695 WeakPolarHBondContact CD2-OD1 3.13Å; N695-T697 PolarHBondContact O-N 2.73Å |
| 696 | S | 85.4 | Confident | 89.1 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | trans | -57.7 | 139.1 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | L689 E691 I694 K698 F699 | L689-S696 PolarHBondContact O-N 2.81Å; E691-S696 WeakPolarHBondContact OE2-CB 3.11Å; E691-S696 PolarHBondContact OE2-OG 2.81Å; I694-S696 PolarHBondContact O-N 2.95Å; S696-K698 PolarHBondContact OG-N 2.71Å; S696-F699 WeakPolarHBondContact CB-O 3.12Å; S696-F699 PolarHBondContact OG-N 3.28Å | ||
| 697 | T | 88.9 | Confident | 88.9 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -95.1 | -21.9 | 176.8 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | N695 | N695-T697 PolarHBondContact O-N 2.73Š|
| 698 | K | 91.3 | Very high | 88.9 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -92.9 | -25.5 | -177.7 | -58.3 | -58.1 | -169.8 | 178.7 | 0 | 112.8 | S696 M711 D712 F714 Y722 | S696-K698 PolarHBondContact OG-N 2.71Å; K698-M711 PolarHBondContact O-N 3.21Å; K698-D712 HydrophobicContact CD-CB 3.79Å; K698-D712 WeakPolarHBondContact CD-OD2 3.28Å; K698-D712 IonicContact NZ-OD2 2.69Å; K698-D712 PolarHBondContact NZ-OD2 2.71Å; K698-D712 PolarHBondContact O-N 3.24Å; K698-F714 HydrophobicContact CB-CE1 4.05Å; K698-F714 HydrophobicContact CB-CZ 3.91Å; K698-F714 WeakPolarHBondContact O-CZ 3.5Å; K698-Y722 HydrophobicContact CB-CE1 4.19Å; K698-Y722 HydrophobicContact CG-CE1 3.95Å |
| 699 | F | 93.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.7 | 178.9 | -60.7 | -84.6 | 0 | 0 | 0 | 111.6 | V648 L689 S696 I708 T709 T710 F714 Y722 L724 I744 | V648-F699 HydrophobicContact CG2-CD1 3.99Å; V648-F699 HydrophobicContact CG2-CE1 4.02Å; L689-F699 HydrophobicContact CD2-CB 3.8Å; S696-F699 WeakPolarHBondContact CB-O 3.12Å; S696-F699 PolarHBondContact OG-N 3.28Å; F699-I708 HydrophobicContact CB-CG2 3.97Å; F699-I708 HydrophobicContact CD1-CG2 4.12Å; F699-I708 HydrophobicContact CG-CG2 4.4Å; F699-T709 WeakPolarHBondContact CA-O 3.25Å; F699-T710 HydrophobicContact CE1-CG2 4.49Å; F699-F714 HydrophobicContact CD1-CZ 4.11Å; F699-F714 HydrophobicContact CD2-CZ 4.23Å; F699-F714 HydrophobicContact CE1-CE1 4.08Å; F699-F714 AromaticContact CE1-CE2 3.9Å; F699-F714 HydrophobicContact CE1-CE2 3.9Å; F699-F714 AromaticContact CE1-CZ 3.45Å; F699-F714 HydrophobicContact CE1-CZ 3.45Å; F699-F714 VanDerWaalsContact CE1-CZ 3.45Å; F699-F714 AromaticContact CE2-CE1 3.63Å; F699-F714 HydrophobicContact CE2-CE1 3.63Å; F699-F714 AromaticContact CE2-CZ 3.6Å; F699-F714 HydrophobicContact CE2-CZ 3.6Å; F699-F714 HydrophobicContact CG-CZ 4.47Å; F699-F714 HydrophobicContact CZ-CD1 4.26Å; F699-F714 AromaticContact CZ-CE1 3.33Å; F699-F714 HydrophobicContact CZ-CE1 3.33Å; F699-F714 HydrophobicContact CZ-CE2 4.01Å; F699-F714 AromaticContact CZ-CZ 3.17Å; F699-F714 HydrophobicContact CZ-CZ 3.17Å; F699-Y722 AromaticContact CE2-CD1 3.76Å; F699-Y722 HydrophobicContact CE2-CD1 3.76Å; F699-Y722 AromaticContact CE2-CD2 3.98Å; F699-Y722 HydrophobicContact CE2-CD2 3.98Å; F699-Y722 HydrophobicContact CE2-CE1 4.27Å; F699-Y722 HydrophobicContact CE2-CE2 4.49Å; F699-Y722 AromaticContact CE2-CG 3.61Å; F699-Y722 HydrophobicContact CE2-CG 3.61Å; F699-Y722 HydrophobicContact CZ-CD2 4.18Å; F699-Y722 HydrophobicContact CZ-CG 4.24Å; F699-L724 HydrophobicContact CB-CD1 4.11Å; F699-L724 HydrophobicContact CD2-CD1 3.7Å; F699-L724 HydrophobicContact CE2-CD1 4.42Å; F699-L724 HydrophobicContact CG-CD1 4.06Å; F699-I744 HydrophobicContact CD1-CD1 3.56Å; F699-I744 HydrophobicContact CD2-CD1 3.98Å; F699-I744 HydrophobicContact CE1-CD1 3.55Å; F699-I744 HydrophobicContact CE1-CG2 3.9Å; F699-I744 HydrophobicContact CE2-CD1 3.97Å; F699-I744 HydrophobicContact CG-CD1 3.77Å; F699-I744 HydrophobicContact CZ-CB 4.18Å; F699-I744 HydrophobicContact CZ-CD1 3.74Å; F699-I744 HydrophobicContact CZ-CG2 3.79Å |
| 700 | K | 91.5 | Very high | 88.8 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | 173 | 173.3 | -175.4 | 175.2 | -164.3 | 0 | 110 | I708 T709 M711 | K700-I708 CarbonylContact O-C 3.57Å; K700-I708 WeakPolarHBondContact O-CA 3.49Å; K700-T709 PolarHBondContact N-O 2.74Å; K700-T709 PolarHBondContact O-N 3.07Å; K700-T709 PolarHBondContact O-OG1 2.9Å; K700-M711 HydrophobicContact CB-CG 3.37Å; K700-M711 HydrophobicContact CB-SD 3.74Å; K700-M711 HydrophobicContact CD-SD 4.01Å |
| 701 | I | 92.5 | Very high | 88.8 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 142.2 | 164.8 | -164.2 | 159.7 | 0 | 0 | 0 | 110.5 | L672 F687 L689 I707 I708 | L672-I701 HydrophobicContact CD1-CD1 3.4Å; F687-I701 HydrophobicContact CB-CD1 3.72Å; F687-I701 HydrophobicContact CB-CG1 4.11Å; F687-I701 HydrophobicContact CG-CD1 4.47Å; L689-I701 HydrophobicContact CB-CB 3.86Å; L689-I701 HydrophobicContact CB-CD1 4.41Å; L689-I701 HydrophobicContact CB-CG2 3.67Å; L689-I701 HydrophobicContact CD2-CB 4.28Å; I701-I707 CarbonylContact C-O 3.57Å; I701-I707 WeakPolarHBondContact CA-O 3.43Å; I701-I708 HydrophobicContact CB-CG1 4.46Å; I701-I708 HydrophobicContact CD1-CG1 4.33Å; I701-I708 HydrophobicContact CG1-CG1 4.27Å |
| 702 | D | 89.7 | Confident | 88.9 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | trans | -79.5 | 122.5 | 163 | 179.1 | -91.2 | 0 | 0 | 0 | 109.7 | H704 T705 G706 I707 | D702-H704 PolarHBondContact O-N 3.44Å; D702-H704 VanDerWaalsContact O-N 3.09Å; D702-H704 PolarHBondContact OD1-N 3.3Å; D702-T705 WeakPolarHBondContact CB-OG1 3.45Å; D702-T705 WeakPolarHBondContact OD1-CB 3.3Å; D702-T705 PolarHBondContact OD1-N 3.41Å; D702-T705 PolarHBondContact OD1-OG1 3.14Å; D702-G706 WeakPolarHBondContact O-CA 3Å; D702-G706 PolarHBondContact O-N 2.77Å; D702-I707 PolarHBondContact N-O 2.74Å | ||
| 703 | S | 90.7 | Very high | 89.2 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.9 | -166.5 | 62.9 | 0 | 0 | 0 | 0 | 115.1 | T686 F687 | T686-S703 WeakPolarHBondContact CA-O 3.36Å; F687-S703 PolarHBondContact N-O 3.23Å |
| 704 | H | 87.1 | Confident | 89.7 | Confident | 143 Ų | 143 | 57 Ų | 57 | 66% | 0.662 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -25.5 | -178.4 | -161.9 | 57.1 | 0 | 0 | 0 | 113.1 | D702 | D702-H704 PolarHBondContact O-N 3.44Å; D702-H704 VanDerWaalsContact O-N 3.09Å; D702-H704 PolarHBondContact OD1-N 3.3Å |
| 705 | T | 85.6 | Confident | 89.9 | Confident | 73 Ų | 73 | 54.7 Ų | 54.7 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -10 | 178 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | D702 I707 | D702-T705 WeakPolarHBondContact CB-OG1 3.45Å; D702-T705 WeakPolarHBondContact OD1-CB 3.3Å; D702-T705 PolarHBondContact OD1-N 3.41Å; D702-T705 PolarHBondContact OD1-OG1 3.14Å; T705-I707 PolarHBondContact O-N 3.45Å |
| 706 | G | 87.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 69 | 7.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G671 L672 D702 I708 | G671-G706 WeakPolarHBondContact CA-O 3.49Å; L672-G706 PolarHBondContact N-O 2.88Å; D702-G706 WeakPolarHBondContact O-CA 3Å; D702-G706 PolarHBondContact O-N 2.77Å; G706-I708 PolarHBondContact O-N 3.49Å | ||
| 707 | I | 89.3 | Confident | 90.5 | Very high | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -72.8 | 127.2 | -178.6 | -63.1 | 172.6 | 0 | 0 | 0 | 109.7 | Q647 L669 I701 D702 T705 T709 | Q647-I707 HydrophobicContact CG-CG2 3.89Å; L669-I707 HydrophobicContact CB-CD1 4.12Å; I701-I707 CarbonylContact C-O 3.57Å; I701-I707 WeakPolarHBondContact CA-O 3.43Å; D702-I707 PolarHBondContact N-O 2.74Å; T705-I707 PolarHBondContact O-N 3.45Å; I707-T709 HydrophobicContact CG2-CG2 4.45Å | ||
| 708 | I | 91.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.2 | 175.2 | -57.7 | -178.8 | 0 | 0 | 0 | 110.1 | L636 Q647 V648 L672 L689 F699 K700 I701 G706 V742 I744 | L636-I708 HydrophobicContact CD1-CD1 3.94Å; Q647-I708 WeakPolarHBondContact CA-O 3.34Å; V648-I708 HydrophobicContact CB-CG2 4.47Å; V648-I708 HydrophobicContact CG2-CB 4.4Å; V648-I708 HydrophobicContact CG2-CG2 3.86Å; V648-I708 PolarHBondContact N-O 3.1Å; L672-I708 HydrophobicContact CD1-CD1 3.81Å; L672-I708 HydrophobicContact CD1-CG1 4.13Å; L689-I708 HydrophobicContact CD1-CD1 4.01Å; L689-I708 HydrophobicContact CD2-CD1 3.93Å; L689-I708 HydrophobicContact CD2-CG1 4.16Å; L689-I708 HydrophobicContact CD2-CG2 3.98Å; F699-I708 HydrophobicContact CB-CG2 3.97Å; F699-I708 HydrophobicContact CD1-CG2 4.12Å; F699-I708 HydrophobicContact CG-CG2 4.4Å; K700-I708 CarbonylContact O-C 3.57Å; K700-I708 WeakPolarHBondContact O-CA 3.49Å; I701-I708 HydrophobicContact CB-CG1 4.46Å; I701-I708 HydrophobicContact CD1-CG1 4.33Å; I701-I708 HydrophobicContact CG1-CG1 4.27Å; G706-I708 PolarHBondContact O-N 3.49Å; I708-V742 HydrophobicContact CD1-CG1 3.93Å; I708-V742 HydrophobicContact CD1-CG2 4.44Å; I708-I744 HydrophobicContact CG2-CD1 4.24Å |
| 709 | T | 92.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.6 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | T646 Q647 F699 K700 I707 | T646-T709 CarbonylContact O-C 3.55Å; T646-T709 VanDerWaalsContact O-CA 3.25Å; T646-T709 WeakPolarHBondContact O-CA 3.06Å; Q647-T709 HydrophobicContact CG-CG2 3.81Å; F699-T709 WeakPolarHBondContact CA-O 3.25Å; K700-T709 PolarHBondContact N-O 2.74Å; K700-T709 PolarHBondContact O-N 3.07Å; K700-T709 PolarHBondContact O-OG1 2.9Å; I707-T709 HydrophobicContact CG2-CG2 4.45Å |
| 710 | T | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131.5 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 111 | V638 P643 G645 T646 F699 F714 | V638-T710 HydrophobicContact CG2-CG2 4.03Å; P643-T710 PolarHBondContact O-OG1 2.85Å; G645-T710 PolarHBondContact N-O 2.78Å; G645-T710 PolarHBondContact N-OG1 2.71Å; T646-T710 PolarHBondContact N-OG1 2.92Å; T646-T710 PolarHBondContact O-N 3.24Å; T646-T710 PolarHBondContact O-OG1 2.85Å; F699-T710 HydrophobicContact CE1-CG2 4.49Å; T710-F714 HydrophobicContact CG2-CD2 4.02Å; T710-F714 HydrophobicContact CG2-CE2 3.6Å |
| 711 | M | 91.4 | Very high | 90.5 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 48% | 0.478 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -107 | -8 | 168.4 | -74.4 | -61.2 | -49.9 | 0 | 0 | 112.7 | Y644 K698 K700 | Y644-M711 WeakPolarHBondContact CD1-O 3.49Å; K698-M711 PolarHBondContact O-N 3.21Å; K700-M711 HydrophobicContact CB-CG 3.37Å; K700-M711 HydrophobicContact CB-SD 3.74Å; K700-M711 HydrophobicContact CD-SD 4.01Å |
| 712 | D | 90.6 | Very high | 90.5 | Very high | 48 Ų | 48 | 59.7 Ų | 59.7 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -129.5 | 172.2 | 172.3 | -146.7 | -11.1 | 0 | 0 | 0 | 111.6 | K698 F714 | K698-D712 HydrophobicContact CD-CB 3.79Å; K698-D712 WeakPolarHBondContact CD-OD2 3.28Å; K698-D712 IonicContact NZ-OD2 2.69Å; K698-D712 PolarHBondContact NZ-OD2 2.71Å; K698-D712 PolarHBondContact O-N 3.24Å; D712-F714 WeakPolarHBondContact O-CD2 3.23Å; D712-F714 VanDerWaalsContact O-CE2 3.26Å; D712-F714 WeakPolarHBondContact O-CE2 3.07Å |
| 713 | I | 89.7 | Confident | 90.6 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | trans | -86.9 | 142.9 | 163.3 | -60.4 | 171.7 | 0 | 0 | 0 | 107.6 | Y644 | Y644-I713 HydrophobicContact CD1-CG1 4.5Å; Y644-I713 HydrophobicContact CE1-CG1 3.98Å; Y644-I713 HydrophobicContact CE2-CD1 3.88Å; Y644-I713 HydrophobicContact CE2-CG1 4.05Å | ||
| 714 | F | 91.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | trans | -113.9 | 149.5 | -177.4 | -64.1 | -90.6 | 0 | 0 | 0 | 111.5 | N641 K698 F699 T710 D712 Y722 I746 | N641-F714 PolarHBondContact N-O 3.27Å; K698-F714 HydrophobicContact CB-CE1 4.05Å; K698-F714 HydrophobicContact CB-CZ 3.91Å; K698-F714 WeakPolarHBondContact O-CZ 3.5Å; F699-F714 HydrophobicContact CD1-CZ 4.11Å; F699-F714 HydrophobicContact CD2-CZ 4.23Å; F699-F714 HydrophobicContact CE1-CE1 4.08Å; F699-F714 AromaticContact CE1-CE2 3.9Å; F699-F714 HydrophobicContact CE1-CE2 3.9Å; F699-F714 AromaticContact CE1-CZ 3.45Å; F699-F714 HydrophobicContact CE1-CZ 3.45Å; F699-F714 VanDerWaalsContact CE1-CZ 3.45Å; F699-F714 AromaticContact CE2-CE1 3.63Å; F699-F714 HydrophobicContact CE2-CE1 3.63Å; F699-F714 AromaticContact CE2-CZ 3.6Å; F699-F714 HydrophobicContact CE2-CZ 3.6Å; F699-F714 HydrophobicContact CG-CZ 4.47Å; F699-F714 HydrophobicContact CZ-CD1 4.26Å; F699-F714 AromaticContact CZ-CE1 3.33Å; F699-F714 HydrophobicContact CZ-CE1 3.33Å; F699-F714 HydrophobicContact CZ-CE2 4.01Å; F699-F714 AromaticContact CZ-CZ 3.17Å; F699-F714 HydrophobicContact CZ-CZ 3.17Å; T710-F714 HydrophobicContact CG2-CD2 4.02Å; T710-F714 HydrophobicContact CG2-CE2 3.6Å; D712-F714 WeakPolarHBondContact O-CD2 3.23Å; D712-F714 VanDerWaalsContact O-CE2 3.26Å; D712-F714 WeakPolarHBondContact O-CE2 3.07Å; F714-Y722 HydrophobicContact CD1-CD2 4.48Å; F714-Y722 AromaticContact CD1-CE2 3.62Å; F714-Y722 HydrophobicContact CD1-CE2 3.62Å; F714-Y722 AromaticContact CD1-CZ 3.83Å; F714-Y722 HydrophobicContact CE1-CD2 4.26Å; F714-Y722 HydrophobicContact CE1-CE1 4.21Å; F714-Y722 AromaticContact CE1-CE2 3.6Å; F714-Y722 HydrophobicContact CE1-CE2 3.6Å; F714-Y722 AromaticContact CE1-CZ 3.55Å; F714-I746 HydrophobicContact CB-CD1 3.96Å; F714-I746 HydrophobicContact CB-CG1 4.38Å; F714-I746 HydrophobicContact CB-CG2 4.1Å; F714-I746 HydrophobicContact CD1-CD1 3.69Å; F714-I746 HydrophobicContact CD1-CG1 4.37Å; F714-I746 HydrophobicContact CE1-CD1 4.37Å; F714-I746 HydrophobicContact CG-CD1 3.83Å | ||
| 715 | D | 91.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 54.6 Ų | 54.6 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | trans | -140.8 | 121.1 | -173.9 | 162 | -28.9 | 0 | 0 | 0 | 104.7 | E717 V718 K719 | D715-E717 PolarHBondContact OD1-N 2.63Å; D715-V718 HydrophobicContact CB-CB 4.3Å; D715-V718 HydrophobicContact CB-CG2 4.49Å; D715-V718 VanDerWaalsContact CG-CG2 3.48Å; D715-V718 VanDerWaalsContact OD1-CB 3.25Å; D715-V718 WeakPolarHBondContact OD1-CB 3.43Å; D715-V718 VanDerWaalsContact OD1-CG2 3.26Å; D715-V718 WeakPolarHBondContact OD1-CG2 3.35Å; D715-V718 PolarHBondContact OD1-N 2.86Å; D715-V718 WeakPolarHBondContact OD2-CG2 3.15Å; D715-K719 PolarHBondContact O-N 3.46Å | ||
| 716 | R | 92 | Very high | 91.4 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -85.3 | -30.6 | -168.8 | -176.6 | -124.5 | 56.3 | 91.7 | -23.8 | 111.8 | E640 V718 K719 E720 I746 D748 V783 | E640-R716 WeakPolarHBondContact OE2-CB 3.46Å; E640-R716 PolarHBondContact OE2-N 3.46Å; R716-V718 PolarHBondContact O-N 2.95Å; R716-K719 PolarHBondContact O-N 2.74Å; R716-E720 HydrophobicContact CG-CB 4.37Å; R716-E720 PolarHBondContact O-N 2.89Å; R716-I746 HydrophobicContact CB-CB 4.41Å; R716-I746 HydrophobicContact CB-CG2 3.94Å; R716-I746 HydrophobicContact CG-CB 4.46Å; R716-I746 HydrophobicContact CG-CG2 4.46Å; R716-D748 WeakPolarHBondContact CD-OD1 3.27Å; R716-D748 IonicContact CZ-OD1 3.54Å; R716-D748 IonicContact NE-OD1 3.16Å; R716-D748 PolarHBondContact NE-OD1 2.89Å; R716-D748 IonicContact NH2-OD1 3.69Å; R716-V783 PolarHBondContact NH2-O 2.95Å |
| 717 | E | 89.5 | Confident | 91.7 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 170.6 | -72.7 | 56.2 | -127.4 | 0 | 0 | 110.3 | D715 V783 D784 | D715-E717 PolarHBondContact OD1-N 2.63Å; E717-V783 HydrophobicContact CG-CB 4.04Å; E717-V783 HydrophobicContact CG-CG2 3.92Å; E717-D784 WeakPolarHBondContact OE1-CA 3.11Å |
| 718 | V | 91 | Very high | 91.9 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 71% | 0.709 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -81.3 | -47.3 | 174 | 170.8 | 0 | 0 | 0 | 0 | 112.7 | D715 R716 | D715-V718 HydrophobicContact CB-CB 4.3Å; D715-V718 HydrophobicContact CB-CG2 4.49Å; D715-V718 VanDerWaalsContact CG-CG2 3.48Å; D715-V718 VanDerWaalsContact OD1-CB 3.25Å; D715-V718 WeakPolarHBondContact OD1-CB 3.43Å; D715-V718 VanDerWaalsContact OD1-CG2 3.26Å; D715-V718 WeakPolarHBondContact OD1-CG2 3.35Å; D715-V718 PolarHBondContact OD1-N 2.86Å; D715-V718 WeakPolarHBondContact OD2-CG2 3.15Å; R716-V718 PolarHBondContact O-N 2.95Å |
| 719 | K | 90.6 | Very high | 92 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -154.5 | 93.6 | 179.9 | -171.3 | 166.7 | 167.7 | -171.8 | 0 | 114.6 | E691 D715 R716 K721 Y722 I746 | E691-K719 IonicContact OE1-NZ 3.67Å; D715-K719 PolarHBondContact O-N 3.46Å; R716-K719 PolarHBondContact O-N 2.74Å; K719-K721 VanDerWaalsContact C-N 3.25Å; K719-K721 WeakPolarHBondContact CE-O 3.38Å; K719-K721 WeakPolarHBondContact CG-O 3.46Å; K719-K721 PolarHBondContact O-N 2.71Å; K719-K721 VanDerWaalsContact O-N 3.08Å; K719-Y722 HydrophobicContact CB-CE2 4.2Å; K719-Y722 HydrophobicContact CD-CD1 4.28Å; K719-Y722 HydrophobicContact CD-CD2 4.37Å; K719-Y722 HydrophobicContact CD-CE1 3.75Å; K719-Y722 HydrophobicContact CD-CE2 3.82Å; K719-Y722 VanDerWaalsContact CD-CZ 3.5Å; K719-Y722 HydrophobicContact CG-CD2 4.33Å; K719-Y722 HydrophobicContact CG-CE2 3.78Å; K719-I746 WeakPolarHBondContact O-CG1 3.28Å |
| 720 | E | 90.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -52.2 | -26.7 | 176.4 | 54.9 | 159.6 | -143.5 | 0 | 0 | 117 | R716 I746 | R716-E720 HydrophobicContact CG-CB 4.37Å; R716-E720 PolarHBondContact O-N 2.89Å; E720-I746 PolarHBondContact O-N 2.77Å |
| 721 | K | 92.6 | Very high | 92.1 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 50% | 0.504 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153.4 | -172.8 | 72.4 | -162.4 | 173.2 | -144.7 | 0 | 115 | K719 I744 | K719-K721 VanDerWaalsContact C-N 3.25Å; K719-K721 WeakPolarHBondContact CE-O 3.38Å; K719-K721 WeakPolarHBondContact CG-O 3.46Å; K719-K721 PolarHBondContact O-N 2.71Å; K719-K721 VanDerWaalsContact O-N 3.08Å; K721-I744 CarbonylContact C-O 3.48Å; K721-I744 VanDerWaalsContact CA-O 3.27Å; K721-I744 WeakPolarHBondContact CA-O 3.04Å |
| 722 | Y | 92.7 | Very high | 92 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 9% | 0.09 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.4 | 175.3 | -68 | -107.9 | 0 | 0 | 0 | 110.1 | E691 K698 F699 F714 K719 Q743 I744 I746 | E691-Y722 WeakPolarHBondContact OE1-CD1 3.41Å; K698-Y722 HydrophobicContact CB-CE1 4.19Å; K698-Y722 HydrophobicContact CG-CE1 3.95Å; F699-Y722 AromaticContact CE2-CD1 3.76Å; F699-Y722 HydrophobicContact CE2-CD1 3.76Å; F699-Y722 AromaticContact CE2-CD2 3.98Å; F699-Y722 HydrophobicContact CE2-CD2 3.98Å; F699-Y722 HydrophobicContact CE2-CE1 4.27Å; F699-Y722 HydrophobicContact CE2-CE2 4.49Å; F699-Y722 AromaticContact CE2-CG 3.61Å; F699-Y722 HydrophobicContact CE2-CG 3.61Å; F699-Y722 HydrophobicContact CZ-CD2 4.18Å; F699-Y722 HydrophobicContact CZ-CG 4.24Å; F714-Y722 HydrophobicContact CD1-CD2 4.48Å; F714-Y722 AromaticContact CD1-CE2 3.62Å; F714-Y722 HydrophobicContact CD1-CE2 3.62Å; F714-Y722 AromaticContact CD1-CZ 3.83Å; F714-Y722 HydrophobicContact CE1-CD2 4.26Å; F714-Y722 HydrophobicContact CE1-CE1 4.21Å; F714-Y722 AromaticContact CE1-CE2 3.6Å; F714-Y722 HydrophobicContact CE1-CE2 3.6Å; F714-Y722 AromaticContact CE1-CZ 3.55Å; K719-Y722 HydrophobicContact CB-CE2 4.2Å; K719-Y722 HydrophobicContact CD-CD1 4.28Å; K719-Y722 HydrophobicContact CD-CD2 4.37Å; K719-Y722 HydrophobicContact CD-CE1 3.75Å; K719-Y722 HydrophobicContact CD-CE2 3.82Å; K719-Y722 VanDerWaalsContact CD-CZ 3.5Å; K719-Y722 HydrophobicContact CG-CD2 4.33Å; K719-Y722 HydrophobicContact CG-CE2 3.78Å; Y722-Q743 WeakPolarHBondContact O-CA 3.29Å; Y722-I744 PolarHBondContact N-O 2.79Å; Y722-I744 PolarHBondContact O-N 2.84Å; Y722-I746 HydrophobicContact CD2-CD1 4.26Å; Y722-I746 HydrophobicContact CD2-CG1 4.37Å; Y722-I746 HydrophobicContact CE2-CD1 4.24Å; Y722-I746 HydrophobicContact CE2-CG1 4.21Å |
| 723 | T | 92.6 | Very high | 91.7 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.5 | 172.8 | -55.6 | 0 | 0 | 0 | 0 | 108.2 | T741 Q743 | T723-T741 HydrophobicContact CG2-CG2 3.75Å; T723-Q743 HydrophobicContact CG2-CG 4.49Å |
| 724 | L | 93.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 161.9 | -175.4 | -53.2 | 175.3 | 0 | 0 | 0 | 109.7 | L689 L690 E691 F699 V742 I744 | L689-L724 HydrophobicContact CD1-CB 3.78Å; L689-L724 HydrophobicContact CD1-CD1 3.95Å; L689-L724 HydrophobicContact CD2-CD1 3.87Å; L689-L724 HydrophobicContact CG-CB 4.38Å; L689-L724 HydrophobicContact CG-CD1 4Å; L690-L724 CarbonylContact O-C 3.57Å; L690-L724 VanDerWaalsContact O-CA 3.29Å; L690-L724 WeakPolarHBondContact O-CA 3.06Å; L690-L724 WeakPolarHBondContact O-CB 3.39Å; E691-L724 HydrophobicContact CB-CD2 3.62Å; E691-L724 HydrophobicContact CG-CD2 3.62Å; F699-L724 HydrophobicContact CB-CD1 4.11Å; F699-L724 HydrophobicContact CD2-CD1 3.7Å; F699-L724 HydrophobicContact CE2-CD1 4.42Å; F699-L724 HydrophobicContact CG-CD1 4.06Å; L724-V742 HydrophobicContact CB-CB 4.35Å; L724-V742 PolarHBondContact N-O 3.4Å; L724-V742 PolarHBondContact O-N 3.05Å; L724-I744 HydrophobicContact CD1-CD1 3.7Å; L724-I744 HydrophobicContact CD1-CG1 4.48Å |
| 725 | I | 93.5 | Very high | 91.9 | Very high | 79 Ų | 79 | 60.3 Ų | 60.3 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.9 | 172.2 | -57.8 | 175.8 | 0 | 0 | 0 | 108.4 | L690 L727 A740 | L690-I725 HydrophobicContact CB-CB 4.47Å; L690-I725 PolarHBondContact N-O 3.16Å; L690-I725 PolarHBondContact O-N 3.19Å; I725-L727 HydrophobicContact CG2-CD2 3.92Å; I725-A740 WeakPolarHBondContact CA-O 3.37Å |
| 726 | A | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | F629 L672 F688 L689 T739 A740 V742 | F629-A726 HydrophobicContact CE1-CB 4.11Å; F629-A726 HydrophobicContact CE2-CB 4.47Å; F629-A726 HydrophobicContact CZ-CB 3.81Å; L672-A726 HydrophobicContact CD1-CB 3.67Å; L672-A726 HydrophobicContact CD2-CB 4.11Å; F688-A726 WeakPolarHBondContact O-CA 3.19Å; L689-A726 HydrophobicContact CD1-CB 4.44Å; A726-T739 WeakPolarHBondContact O-CA 3.39Å; A726-A740 PolarHBondContact N-O 3.11Å; A726-A740 PolarHBondContact O-N 2.88Å; A726-V742 HydrophobicContact CB-CG2 3.8Å |
| 727 | L | 93.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.9 | 169.7 | -50.3 | 179.5 | 0 | 0 | 0 | 109.5 | F687 F688 L690 I725 V729 T737 G738 T739 | F687-L727 WeakPolarHBondContact CA-O 3.18Å; F688-L727 HydrophobicContact CB-CB 4.21Å; F688-L727 HydrophobicContact CB-CD1 4.44Å; F688-L727 HydrophobicContact CD2-CB 4.5Å; F688-L727 PolarHBondContact N-O 2.86Å; F688-L727 PolarHBondContact O-N 3.05Å; L690-L727 HydrophobicContact CD1-CD1 3.82Å; L690-L727 HydrophobicContact CD1-CG 4.31Å; L690-L727 HydrophobicContact CG-CD1 4.29Å; I725-L727 HydrophobicContact CG2-CD2 3.92Å; L727-V729 HydrophobicContact CB-CG2 4.38Å; L727-T737 HydrophobicContact CB-CG2 4.43Å; L727-T737 HydrophobicContact CD2-CG2 4.41Å; L727-G738 WeakPolarHBondContact CA-O 3.42Å; L727-T739 HydrophobicContact CD2-CG2 3.64Å |
| 728 | A | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | P627 F629 A674 M685 F687 T737 G738 | P627-A728 HydrophobicContact CB-CB 3.76Å; F629-A728 HydrophobicContact CE1-CB 4.36Å; F629-A728 HydrophobicContact CE2-CB 3.82Å; F629-A728 HydrophobicContact CZ-CB 3.64Å; A674-A728 HydrophobicContact CB-CB 4.15Å; M685-A728 HydrophobicContact SD-CB 4.16Å; F687-A728 HydrophobicContact CD1-CB 4.07Å; F687-A728 HydrophobicContact CE1-CB 3.92Å; A728-T737 CarbonylContact O-C 3.5Å; A728-T737 WeakPolarHBondContact O-CA 3.27Å; A728-G738 PolarHBondContact N-O 2.93Å; A728-G738 PolarHBondContact O-N 2.8Å |
| 729 | V | 94.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | -174.8 | -173.4 | 0 | 0 | 0 | 0 | 108 | M685 T686 F688 L727 P735 L736 T737 | M685-V729 CarbonylContact C-O 3.58Å; M685-V729 VanDerWaalsContact CA-O 3.29Å; M685-V729 WeakPolarHBondContact CA-O 3.48Å; T686-V729 PolarHBondContact N-O 3.44Å; T686-V729 PolarHBondContact O-N 2.93Å; F688-V729 HydrophobicContact CD2-CG2 3.91Å; F688-V729 HydrophobicContact CE2-CB 4.14Å; F688-V729 HydrophobicContact CE2-CG2 3.85Å; L727-V729 HydrophobicContact CB-CG2 4.38Å; V729-P735 HydrophobicContact CG1-CB 4.38Å; V729-L736 WeakPolarHBondContact CG1-O 3.41Å; V729-T737 HydrophobicContact CG2-CG2 4.03Å |
| 730 | D | 94.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | -69.6 | 176.6 | 175.7 | 55.3 | 85.7 | 0 | 0 | 0 | 113.2 | N623 P627 N682 Q684 G732 P735 L736 | N623-D730 PolarHBondContact ND2-OD1 2.75Å; N623-D730 PolarHBondContact OD1-OD1 3.48Å; P627-D730 WeakPolarHBondContact CD-OD2 3.14Å; P627-D730 HydrophobicContact CG-CB 4.1Å; N682-D730 WeakPolarHBondContact O-CB 3.35Å; Q684-D730 CarbonylContact O-C 3.42Å; Q684-D730 WeakPolarHBondContact O-CA 3.43Å; D730-G732 PolarHBondContact OD1-N 2.67Å; D730-P735 WeakPolarHBondContact OD1-CA 3.22Å; D730-L736 VanDerWaalsContact CG-N 3.32Å; D730-L736 PolarHBondContact OD1-N 2.75Å; D730-L736 VanDerWaalsContact OD1-N 3.08Å; D730-L736 WeakPolarHBondContact OD2-CA 3.39Å; D730-L736 VanDerWaalsContact OD2-CB 3.25Å; D730-L736 WeakPolarHBondContact OD2-CB 3.36Å; D730-L736 PolarHBondContact OD2-N 2.75Å | ||
| 731 | H | 92.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -107 | 18.4 | 177.9 | -59.7 | -179.3 | 0 | 0 | 0 | 111.7 | I681 Q684 T686 | I681-H731 HydrophobicContact CB-CB 4.15Å; I681-H731 CarbonylContact O-C 3.58Å; I681-H731 WeakPolarHBondContact O-CA 3.37Å; I681-H731 WeakPolarHBondContact O-CB 3.13Å; I681-H731 PolarHBondContact O-N 3.46Å; I681-H731 VanDerWaalsContact O-N 3.11Å; Q684-H731 PolarHBondContact O-CD2 2.8Å; Q684-H731 PolarHBondContact O-N 3.02Å; Q684-H731 PolarHBondContact O-NE2 2.99Å; T686-H731 PolarHBondContact OG1-NE2 3.28Å |
| 732 | G | 88.5 | Confident | 92.5 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72.4 | -177.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I681 D730 P735 | I681-G732 PolarHBondContact O-N 2.76Å; D730-G732 PolarHBondContact OD1-N 2.67Å; G732-P735 WeakPolarHBondContact O-CD 3.02Å |
| 733 | N | 85.7 | Confident | 92.4 | Very high | 144 Ų | 144 | 46 Ų | 46 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -145.3 | 101.6 | -177 | 176.4 | 72.6 | 0 | 0 | 0 | 111.7 | ||
| 734 | P | 90.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 42 Ų | 42 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | S | Bend | cis | -69.5 | 144.3 | 1.6 | 30.6 | -35.8 | 0 | 0 | 0 | 112 | N623 | N623-P734 PolarHBondContact ND2-O 3.25Š|
| 735 | P | 93.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | trans | -72.7 | 143.5 | 176.2 | 30.4 | -34.6 | 0 | 0 | 0 | 111 | V729 D730 G732 | V729-P735 HydrophobicContact CG1-CB 4.38Å; D730-P735 WeakPolarHBondContact OD1-CA 3.22Å; G732-P735 WeakPolarHBondContact O-CD 3.02Å | ||
| 736 | L | 93.5 | Very high | 92.2 | Very high | 46 Ų | 46 | 41 Ų | 41 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | trans | -97.8 | 179.5 | 174.8 | -56.1 | 178.3 | 0 | 0 | 0 | 110.2 | R626 V729 D730 | R626-L736 HydrophobicContact CB-CB 3.75Å; R626-L736 HydrophobicContact CB-CD1 4.06Å; V729-L736 WeakPolarHBondContact CG1-O 3.41Å; D730-L736 VanDerWaalsContact CG-N 3.32Å; D730-L736 PolarHBondContact OD1-N 2.75Å; D730-L736 VanDerWaalsContact OD1-N 3.08Å; D730-L736 WeakPolarHBondContact OD2-CA 3.39Å; D730-L736 VanDerWaalsContact OD2-CB 3.25Å; D730-L736 WeakPolarHBondContact OD2-CB 3.36Å; D730-L736 PolarHBondContact OD2-N 2.75Å | ||
| 737 | T | 94.8 | Very high | 92 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 126.3 | -177.9 | -63.4 | 0 | 0 | 0 | 0 | 112 | L727 A728 V729 T739 | L727-T737 HydrophobicContact CB-CG2 4.43Å; L727-T737 HydrophobicContact CD2-CG2 4.41Å; A728-T737 CarbonylContact O-C 3.5Å; A728-T737 WeakPolarHBondContact O-CA 3.27Å; V729-T737 HydrophobicContact CG2-CG2 4.03Å; T737-T739 HydrophobicContact CG2-CG2 4.3Å |
| 738 | G | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 150.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P627 L727 A728 | P627-G738 WeakPolarHBondContact O-CA 3.44Å; L727-G738 WeakPolarHBondContact CA-O 3.42Å; A728-G738 PolarHBondContact N-O 2.93Å; A728-G738 PolarHBondContact O-N 2.8Å |
| 739 | T | 93.4 | Very high | 91.2 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.3 | 175 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | F629 A726 L727 T737 | F629-T739 VanDerWaalsContact CD2-C 3.44Å; F629-T739 WeakPolarHBondContact CD2-O 3.04Å; A726-T739 WeakPolarHBondContact O-CA 3.39Å; L727-T739 HydrophobicContact CD2-CG2 3.64Å; T737-T739 HydrophobicContact CG2-CG2 4.3Å |
| 740 | A | 91.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 150.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F629 L634 I725 A726 | F629-A740 HydrophobicContact CB-CB 3.77Å; F629-A740 HydrophobicContact CD1-CB 4.12Å; F629-A740 HydrophobicContact CD2-CB 3.53Å; F629-A740 HydrophobicContact CE2-CB 4.1Å; F629-A740 HydrophobicContact CG-CB 3.53Å; L634-A740 HydrophobicContact CD1-CB 4.11Å; I725-A740 WeakPolarHBondContact CA-O 3.37Å; A726-A740 PolarHBondContact N-O 3.11Å; A726-A740 PolarHBondContact O-N 2.88Å |
| 741 | T | 92.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.1 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 109.7 | E632 I633 L634 T723 Q743 | E632-T741 PolarHBondContact O-N 2.73Å; I633-T741 CarbonylContact C-O 3.58Å; I633-T741 VanDerWaalsContact CA-O 3.31Å; I633-T741 WeakPolarHBondContact CA-O 3.15Å; I633-T741 HydrophobicContact CG2-CG2 4.46Å; L634-T741 PolarHBondContact N-O 3.4Å; T723-T741 HydrophobicContact CG2-CG2 3.75Å; T741-Q743 HydrophobicContact CG2-CG 4.31Å |
| 742 | V | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.8 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | L636 L672 L689 I708 L724 A726 I744 | L636-V742 HydrophobicContact CD1-CG1 3.58Å; L636-V742 HydrophobicContact CG-CG1 4.03Å; L672-V742 HydrophobicContact CD1-CG2 4.35Å; L672-V742 HydrophobicContact CD2-CG2 4.13Å; L689-V742 HydrophobicContact CD1-CG2 4.47Å; I708-V742 HydrophobicContact CD1-CG1 3.93Å; I708-V742 HydrophobicContact CD1-CG2 4.44Å; L724-V742 HydrophobicContact CB-CB 4.35Å; L724-V742 PolarHBondContact N-O 3.4Å; L724-V742 PolarHBondContact O-N 3.05Å; A726-V742 HydrophobicContact CB-CG2 3.8Å; V742-I744 HydrophobicContact CG1-CD1 4.4Å; V742-I744 HydrophobicContact CG1-CG1 3.94Å |
| 743 | Q | 91.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.2 | 172.1 | -63.1 | -173.7 | 28.1 | 0 | 0 | 108.4 | I633 L634 Y635 L636 Y722 T723 T741 | I633-Q743 HydrophobicContact CG2-CG 4.26Å; L634-Q743 PolarHBondContact O-N 3.03Å; Y635-Q743 HydrophobicContact CD1-CB 4.15Å; Y635-Q743 HydrophobicContact CE1-CB 4.37Å; Y635-Q743 HydrophobicContact CE1-CG 4.49Å; L636-Q743 PolarHBondContact N-O 2.98Å; Y722-Q743 WeakPolarHBondContact O-CA 3.29Å; T723-Q743 HydrophobicContact CG2-CG 4.49Å; T741-Q743 HydrophobicContact CG2-CG 4.31Å |
| 744 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.8 | 176.9 | -54.4 | -179.5 | 0 | 0 | 0 | 108.1 | L636 V638 V648 F699 I708 K721 Y722 L724 V742 I746 | L636-I744 HydrophobicContact CB-CG1 4.38Å; L636-I744 WeakPolarHBondContact O-CA 3.24Å; V638-I744 HydrophobicContact CG1-CG2 4.19Å; V648-I744 HydrophobicContact CG1-CD1 4.34Å; V648-I744 HydrophobicContact CG1-CG1 4.33Å; V648-I744 HydrophobicContact CG1-CG2 3.64Å; V648-I744 HydrophobicContact CG2-CD1 4.42Å; F699-I744 HydrophobicContact CD1-CD1 3.56Å; F699-I744 HydrophobicContact CD2-CD1 3.98Å; F699-I744 HydrophobicContact CE1-CD1 3.55Å; F699-I744 HydrophobicContact CE1-CG2 3.9Å; F699-I744 HydrophobicContact CE2-CD1 3.97Å; F699-I744 HydrophobicContact CG-CD1 3.77Å; F699-I744 HydrophobicContact CZ-CB 4.18Å; F699-I744 HydrophobicContact CZ-CD1 3.74Å; F699-I744 HydrophobicContact CZ-CG2 3.79Å; I708-I744 HydrophobicContact CG2-CD1 4.24Å; K721-I744 CarbonylContact C-O 3.48Å; K721-I744 VanDerWaalsContact CA-O 3.27Å; K721-I744 WeakPolarHBondContact CA-O 3.04Å; Y722-I744 PolarHBondContact N-O 2.79Å; Y722-I744 PolarHBondContact O-N 2.84Å; L724-I744 HydrophobicContact CD1-CD1 3.7Å; L724-I744 HydrophobicContact CD1-CG1 4.48Å; V742-I744 HydrophobicContact CG1-CD1 4.4Å; V742-I744 HydrophobicContact CG1-CG1 3.94Å; I744-I746 HydrophobicContact CG2-CD1 4.47Å |
| 745 | I | 91.6 | Very high | 89.6 | Confident | 53 Ų | 53 | 40.3 Ų | 40.3 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 136 | 174.3 | -60.3 | 169 | 0 | 0 | 0 | 108.5 | L636 Q637 V638 | L636-I745 PolarHBondContact O-N 2.93Å; Q637-I745 VanDerWaalsContact CA-O 3.26Å; Q637-I745 WeakPolarHBondContact CA-O 3.45Å; Q637-I745 HydrophobicContact CB-CB 4.46Å; V638-I745 PolarHBondContact N-O 3.24Å |
| 746 | I | 92.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.1 | 170.4 | -51 | -52.7 | 0 | 0 | 0 | 107.8 | V638 E640 F714 R716 K719 E720 Y722 I744 | V638-I746 HydrophobicContact CG1-CD1 3.7Å; V638-I746 CarbonylContact O-C 3.55Å; V638-I746 WeakPolarHBondContact O-CA 3.23Å; E640-I746 HydrophobicContact CB-CG2 3.56Å; F714-I746 HydrophobicContact CB-CD1 3.96Å; F714-I746 HydrophobicContact CB-CG1 4.38Å; F714-I746 HydrophobicContact CB-CG2 4.1Å; F714-I746 HydrophobicContact CD1-CD1 3.69Å; F714-I746 HydrophobicContact CD1-CG1 4.37Å; F714-I746 HydrophobicContact CE1-CD1 4.37Å; F714-I746 HydrophobicContact CG-CD1 3.83Å; R716-I746 HydrophobicContact CB-CB 4.41Å; R716-I746 HydrophobicContact CB-CG2 3.94Å; R716-I746 HydrophobicContact CG-CB 4.46Å; R716-I746 HydrophobicContact CG-CG2 4.46Å; K719-I746 WeakPolarHBondContact O-CG1 3.28Å; E720-I746 PolarHBondContact O-N 2.77Å; Y722-I746 HydrophobicContact CD2-CD1 4.26Å; Y722-I746 HydrophobicContact CD2-CG1 4.37Å; Y722-I746 HydrophobicContact CE2-CD1 4.24Å; Y722-I746 HydrophobicContact CE2-CG1 4.21Å; I744-I746 HydrophobicContact CG2-CD1 4.47Å |
| 747 | N | 88.3 | Confident | 89.6 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.3 | 179.8 | -50.3 | -44.4 | 0 | 0 | 0 | 111.2 | V638 D639 E640 | V638-N747 PolarHBondContact O-N 2.98Å; D639-N747 PolarHBondContact OD1-ND2 2.96Å; E640-N747 PolarHBondContact N-O 2.99Å |
| 748 | D | 85.8 | Confident | 89.4 | Confident | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 124 | 179.5 | -163.1 | 95.5 | 0 | 0 | 0 | 113.6 | E640 R716 S785 Y788 | E640-D748 WeakPolarHBondContact OE1-CA 3.42Å; R716-D748 WeakPolarHBondContact CD-OD1 3.27Å; R716-D748 IonicContact CZ-OD1 3.54Å; R716-D748 IonicContact NE-OD1 3.16Å; R716-D748 PolarHBondContact NE-OD1 2.89Å; R716-D748 IonicContact NH2-OD1 3.69Å; D748-S785 VanDerWaalsContact CG-N 3.3Å; D748-S785 WeakPolarHBondContact OD1-CB 3.42Å; D748-S785 PolarHBondContact OD1-N 2.93Å; D748-S785 WeakPolarHBondContact OD2-CB 3.47Å; D748-S785 PolarHBondContact OD2-N 2.84Å; D748-Y788 PolarHBondContact O-OH 2.8Å; D748-Y788 VanDerWaalsContact OD2-CD2 3.23Å; D748-Y788 WeakPolarHBondContact OD2-CD2 3.27Å; D748-Y788 WeakPolarHBondContact OD2-CE2 3.26Å |
| 749 | L | 83.9 | Confident | 89.1 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | trans | -117.2 | 139 | 172 | -64.1 | -176 | 0 | 0 | 0 | 110.1 | D639 E640 D751 | D639-L749 HydrophobicContact CB-CD1 4.43Å; E640-L749 HydrophobicContact CG-CB 3.98Å; E640-L749 HydrophobicContact CG-CD1 4.23Å; E640-L749 HydrophobicContact CG-CG 4.02Å; E640-L749 WeakPolarHBondContact O-CD1 3.47Å; E640-L749 PolarHBondContact OE1-N 3.1Å; L749-D751 PolarHBondContact O-N 3.27Å | ||
| 750 | N | 82.7 | Confident | 89.1 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -67.2 | 100.8 | 175.7 | -153.8 | 70.5 | 0 | 0 | 0 | 109.1 | D784 Y788 D835 I856 Y858 | N750-D784 VanDerWaalsContact CA-OD2 3.24Å; N750-D784 WeakPolarHBondContact CA-OD2 3.08Å; N750-Y788 HydrophobicContact CB-CD1 3.92Å; N750-Y788 HydrophobicContact CB-CD2 3.81Å; N750-Y788 HydrophobicContact CB-CE1 4.03Å; N750-Y788 HydrophobicContact CB-CE2 3.9Å; N750-Y788 HydrophobicContact CB-CG 3.83Å; N750-Y788 WeakPolarHBondContact OD1-CB 2.84Å; N750-Y788 WeakPolarHBondContact OD1-CD2 3.11Å; N750-D835 PolarHBondContact ND2-OD2 3.18Å; N750-I856 PolarHBondContact ND2-O 3.41Å; N750-Y858 HydrophobicContact CB-CE2 4.42Å; N750-Y858 VanDerWaalsContact ND2-CD2 3.3Å; N750-Y858 WeakPolarHBondContact ND2-CD2 3.48Å; N750-Y858 WeakPolarHBondContact ND2-CE2 3.08Å; N750-Y858 VanDerWaalsContact O-CE2 3.31Å; N750-Y858 WeakPolarHBondContact O-CE2 3.43Å; N750-Y858 PolarHBondContact O-OH 2.8Å |
| 751 | D | 84.1 | Confident | 89.3 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | trans | -137.3 | -26.8 | -171.1 | 114.2 | -39.3 | 0 | 0 | 0 | 113.5 | N641 L749 D784 | N641-D751 PolarHBondContact ND2-OD2 2.89Å; L749-D751 PolarHBondContact O-N 3.27Å; D751-D784 PolarHBondContact N-OD2 2.76Å | ||
| 752 | N | 84 | Confident | 89.5 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -89.7 | 177.2 | 162.9 | -53.8 | -87 | 0 | 0 | 0 | 110.4 | V783 D784 Y858 | N752-V783 HydrophobicContact CB-CG2 3.49Å; N752-V783 VanDerWaalsContact CB-CG2 3.49Å; N752-V783 VanDerWaalsContact CG-CG2 3.43Å; N752-V783 WeakPolarHBondContact ND2-CG2 3.21Å; N752-D784 WeakPolarHBondContact CB-OD1 3.05Å; N752-D784 PolarHBondContact N-OD1 3.05Å; N752-D784 PolarHBondContact N-OD2 2.88Å; N752-D784 PolarHBondContact ND2-OD1 3.04Å; N752-Y858 WeakPolarHBondContact O-CD2 3.42Å; N752-Y858 VanDerWaalsContact O-CE2 3.3Å; N752-Y858 WeakPolarHBondContact O-CE2 3.15Å |
| 753 | G | 83.4 | Confident | 89.8 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | trans | -146.6 | 154.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V755 | G753-V755 VanDerWaalsContact O-CG2 3.3Å; G753-V755 WeakPolarHBondContact O-CG2 3.46Å; G753-V755 PolarHBondContact O-N 3.29Å | ||
| 754 | P | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 123.7 | -162.5 | 18.4 | -26.5 | 0 | 0 | 0 | 112.5 | T781 D782 L791 V833 G860 | P754-T781 WeakPolarHBondContact CA-O 3.3Å; P754-D782 HydrophobicContact CB-CB 4.49Å; P754-D782 VanDerWaalsContact CB-OD2 3.31Å; P754-D782 WeakPolarHBondContact CB-OD2 3.2Å; P754-D782 WeakPolarHBondContact CD-OD2 3.5Å; P754-D782 WeakPolarHBondContact CG-OD2 3.16Å; P754-L791 HydrophobicContact CB-CD1 3.92Å; P754-L791 HydrophobicContact CB-CD2 3.63Å; P754-L791 HydrophobicContact CB-CG 4.42Å; P754-L791 HydrophobicContact CG-CD2 3.93Å; P754-V833 HydrophobicContact CB-CG1 3.95Å; P754-V833 HydrophobicContact CB-CG2 4.35Å; P754-V833 HydrophobicContact CG-CG1 4.1Å; P754-G860 WeakPolarHBondContact O-CA 3.24Å; P754-G860 PolarHBondContact O-N 2.8Å |
| 755 | V | 89.9 | Confident | 90.1 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.4 | -173.5 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | G753 A780 T781 | G753-V755 VanDerWaalsContact O-CG2 3.3Å; G753-V755 WeakPolarHBondContact O-CG2 3.46Å; G753-V755 PolarHBondContact O-N 3.29Å; V755-A780 CarbonylContact O-C 3.58Å; V755-A780 WeakPolarHBondContact O-CA 3.14Å; V755-A780 WeakPolarHBondContact O-CB 3.18Å; V755-T781 PolarHBondContact N-O 2.9Å; V755-T781 PolarHBondContact O-N 3.02Å |
| 756 | F | 94 | Very high | 90.1 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 6% | 0.057 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 146.2 | 172.5 | -79.7 | -80.8 | 0 | 0 | 0 | 112 | T758 Y761 V778 N779 A780 Y793 V831 V833 T861 S862 | F756-T758 PolarHBondContact O-N 3.17Å; F756-T758 VanDerWaalsContact O-N 3.16Å; F756-Y761 HydrophobicContact CD1-CE2 4.17Å; F756-V778 HydrophobicContact CD1-CB 4.24Å; F756-V778 HydrophobicContact CD1-CG2 4.45Å; F756-V778 HydrophobicContact CE1-CB 4.01Å; F756-V778 HydrophobicContact CE1-CG2 3.73Å; F756-N779 CarbonylContact C-O 3.58Å; F756-N779 WeakPolarHBondContact CA-O 3.11Å; F756-N779 WeakPolarHBondContact CD1-O 3.33Å; F756-A780 HydrophobicContact CD1-CB 4.02Å; F756-A780 HydrophobicContact CE1-CB 4.34Å; F756-A780 HydrophobicContact CG-CB 4.26Å; F756-Y793 AromaticContact CE1-CD1 3.93Å; F756-Y793 HydrophobicContact CE1-CD1 3.93Å; F756-Y793 AromaticContact CE1-CE1 3.82Å; F756-Y793 HydrophobicContact CE1-CE1 3.82Å; F756-Y793 HydrophobicContact CZ-CD1 4.22Å; F756-Y793 HydrophobicContact CZ-CE1 4.42Å; F756-V831 HydrophobicContact CE1-CG1 4.3Å; F756-V831 WeakPolarHBondContact CE2-O 3.41Å; F756-V831 HydrophobicContact CZ-CB 4.13Å; F756-V831 HydrophobicContact CZ-CG1 3.91Å; F756-V833 HydrophobicContact CD2-CG1 3.97Å; F756-V833 HydrophobicContact CE1-CB 4.38Å; F756-V833 HydrophobicContact CE1-CG1 4.42Å; F756-V833 HydrophobicContact CE2-CB 3.96Å; F756-V833 HydrophobicContact CE2-CG1 3.48Å; F756-V833 VanDerWaalsContact CE2-CG1 3.48Å; F756-V833 HydrophobicContact CZ-CB 3.7Å; F756-V833 HydrophobicContact CZ-CG1 3.73Å; F756-T861 VanDerWaalsContact CD2-C 3.49Å; F756-S862 VanDerWaalsContact CD2-CB 3.46Å; F756-S862 VanDerWaalsContact CG-CB 3.47Å |
| 757 | S | 90.8 | Very high | 90.1 | Very high | 82 Ų | 82 | 55 Ų | 55 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -63.4 | -23.2 | -179.9 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | Y761 N779 | S757-Y761 PolarHBondContact N-OH 2.95Å; S757-Y761 PolarHBondContact OG-OH 3.25Å; S757-N779 PolarHBondContact N-O 2.97Å |
| 758 | T | 90.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 37% | 0.368 | 32% | 0.316 | S | S | . | . | trans | -143 | 145.5 | 167.2 | 56.9 | 0 | 0 | 0 | 0 | 111 | F756 N760 Y761 S862 | F756-T758 PolarHBondContact O-N 3.17Å; F756-T758 VanDerWaalsContact O-N 3.16Å; T758-N760 VanDerWaalsContact CB-O 3.23Å; T758-N760 WeakPolarHBondContact CB-O 3.47Å; T758-N760 PolarHBondContact O-N 2.87Å; T758-N760 PolarHBondContact OG1-O 3.45Å; T758-Y761 WeakPolarHBondContact O-CE2 3.42Å; T758-Y761 WeakPolarHBondContact OG1-CD1 3.21Å; T758-Y761 VanDerWaalsContact OG1-CE1 3.31Å; T758-Y761 WeakPolarHBondContact OG1-CE1 3.31Å; T758-Y761 WeakPolarHBondContact OG1-CE2 3.42Å; T758-Y761 VanDerWaalsContact OG1-CZ 3.3Å; T758-S862 PolarHBondContact O-OG 3.16Å | ||
| 759 | N | 88.6 | Confident | 90.5 | Very high | 129 Ų | 129 | 59 Ų | 59 | 69% | 0.69 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -65.2 | -29.5 | 175.8 | -65.7 | -8.7 | 0 | 0 | 0 | 112.5 | S862 T863 | N759-S862 VanDerWaalsContact C-OG 3.27Å; N759-S862 WeakPolarHBondContact O-CA 3.2Å; N759-S862 PolarHBondContact O-OG 3.38Å; N759-T863 PolarHBondContact O-N 3.09Å |
| 760 | N | 93.7 | Very high | 90.9 | Very high | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.2 | 176.6 | -55 | 3.7 | 0 | 0 | 0 | 108.8 | T758 T863 | T758-N760 VanDerWaalsContact CB-O 3.23Å; T758-N760 WeakPolarHBondContact CB-O 3.47Å; T758-N760 PolarHBondContact O-N 2.87Å; T758-N760 PolarHBondContact OG1-O 3.45Å; N760-T863 CarbonylContact C-O 3.29Å; N760-T863 VanDerWaalsContact CA-O 3.28Å; N760-T863 WeakPolarHBondContact CA-O 3.34Å; N760-T863 WeakPolarHBondContact CA-OG1 3.49Å; N760-T863 WeakPolarHBondContact CB-OG1 3.37Å; N760-T863 VanDerWaalsContact CG-OG1 3.25Å; N760-T863 PolarHBondContact OD1-OG1 3.34Å |
| 761 | Y | 95.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.2 | 164.4 | -63.5 | -97.2 | 0 | 0 | 0 | 109 | F756 S757 T758 F763 V778 N779 S862 T863 V864 T865 | F756-Y761 HydrophobicContact CD1-CE2 4.17Å; S757-Y761 PolarHBondContact N-OH 2.95Å; S757-Y761 PolarHBondContact OG-OH 3.25Å; T758-Y761 WeakPolarHBondContact O-CE2 3.42Å; T758-Y761 WeakPolarHBondContact OG1-CD1 3.21Å; T758-Y761 VanDerWaalsContact OG1-CE1 3.31Å; T758-Y761 WeakPolarHBondContact OG1-CE1 3.31Å; T758-Y761 WeakPolarHBondContact OG1-CE2 3.42Å; T758-Y761 VanDerWaalsContact OG1-CZ 3.3Å; Y761-F763 HydrophobicContact CD1-CE1 4.45Å; Y761-F763 AromaticContact CD1-CZ 3.86Å; Y761-F763 HydrophobicContact CD1-CZ 3.86Å; Y761-F763 HydrophobicContact CG-CE2 4.4Å; Y761-F763 HydrophobicContact CG-CZ 4.04Å; Y761-V778 HydrophobicContact CD1-CG1 4.13Å; Y761-V778 HydrophobicContact CD2-CB 4.16Å; Y761-V778 HydrophobicContact CD2-CG1 3.45Å; Y761-V778 VanDerWaalsContact CD2-CG1 3.45Å; Y761-V778 HydrophobicContact CE1-CB 4.32Å; Y761-V778 HydrophobicContact CE1-CG1 4.2Å; Y761-V778 HydrophobicContact CE2-CB 3.67Å; Y761-V778 HydrophobicContact CE2-CG1 3.51Å; Y761-V778 HydrophobicContact CG-CG1 3.78Å; Y761-N779 PolarHBondContact OH-N 3.27Å; Y761-N779 VanDerWaalsContact OH-N 3.16Å; Y761-N779 PolarHBondContact OH-O 3.47Å; Y761-S862 VanDerWaalsContact CD2-OG 3.32Å; Y761-S862 WeakPolarHBondContact CD2-OG 3.3Å; Y761-S862 VanDerWaalsContact CE2-OG 3.32Å; Y761-S862 WeakPolarHBondContact CE2-OG 3.44Å; Y761-T863 PolarHBondContact N-O 3.18Å; Y761-V864 HydrophobicContact CD2-CG2 4.39Å; Y761-V864 WeakPolarHBondContact O-CA 3.01Å; Y761-T865 PolarHBondContact O-N 2.78Å |
| 762 | T | 96.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.8 | 168.6 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | T865 I867 | T762-T865 CarbonylContact C-O 3.48Å; T762-T865 WeakPolarHBondContact CA-O 3.09Å; T762-T865 HydrophobicContact CG2-CG2 4.49Å; T762-I867 HydrophobicContact CG2-CD1 3.74Å; T762-I867 HydrophobicContact CG2-CG1 4.24Å |
| 763 | F | 96.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.1 | 174.9 | -59.6 | -55.2 | 0 | 0 | 0 | 109.7 | Y761 V775 Q777 V778 I813 V864 T865 V866 I867 | Y761-F763 HydrophobicContact CD1-CE1 4.45Å; Y761-F763 AromaticContact CD1-CZ 3.86Å; Y761-F763 HydrophobicContact CD1-CZ 3.86Å; Y761-F763 HydrophobicContact CG-CE2 4.4Å; Y761-F763 HydrophobicContact CG-CZ 4.04Å; F763-V775 HydrophobicContact CB-CG1 3.75Å; F763-V775 WeakPolarHBondContact CB-O 3.14Å; F763-V775 HydrophobicContact CD2-CG1 4.34Å; F763-V775 HydrophobicContact CG-CG1 4.33Å; F763-V775 WeakPolarHBondContact CG-O 3.32Å; F763-Q777 WeakPolarHBondContact CZ-O 3.36Å; F763-V778 HydrophobicContact CE2-CG1 4.33Å; F763-V778 HydrophobicContact CZ-CG1 4.37Å; F763-I813 HydrophobicContact CE2-CD1 4.24Å; F763-V864 HydrophobicContact CD2-CG1 3.63Å; F763-V864 HydrophobicContact CE2-CG1 3.75Å; F763-T865 PolarHBondContact N-O 2.96Å; F763-V866 WeakPolarHBondContact O-CA 3.46Å; F763-I867 PolarHBondContact O-N 2.76Å |
| 764 | H | 95.6 | Very high | 93 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.7 | 175.3 | -79.2 | -98.6 | 0 | 0 | 0 | 109 | D869 | H764-D869 WeakPolarHBondContact CB-OD2 3.36Å; H764-D869 IonicContact CE1-OD1 3.58Å; H764-D869 IonicContact CG-OD1 2.69Å; H764-D869 IonicContact ND1-OD1 3.45Å; H764-D869 PolarHBondContact ND1-OD1 2.84Å; H764-D869 IonicContact ND1-OD2 3.58Å |
| 765 | L | 94.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 123.9 | 174 | -172.4 | 78.7 | 0 | 0 | 0 | 106.7 | Q769 T773 V775 N815 L819 V866 I867 V868 D869 | L765-Q769 HydrophobicContact CD1-CB 4.3Å; L765-Q769 HydrophobicContact CD1-CG 4.2Å; L765-Q769 HydrophobicContact CD2-CB 4.36Å; L765-Q769 HydrophobicContact CG-CB 4.28Å; L765-Q769 HydrophobicContact CG-CG 4.15Å; L765-T773 HydrophobicContact CD1-CG2 3.82Å; L765-V775 HydrophobicContact CD1-CG2 4.37Å; L765-V775 HydrophobicContact CD2-CG2 4.23Å; L765-N815 HydrophobicContact CD2-CB 4.27Å; L765-L819 HydrophobicContact CD2-CD1 3.93Å; L765-L819 HydrophobicContact CD2-CG 4.5Å; L765-V866 HydrophobicContact CB-CG1 4.36Å; L765-I867 PolarHBondContact N-O 3.12Å; L765-V868 CarbonylContact O-C 3.6Å; L765-V868 VanDerWaalsContact O-CA 3.22Å; L765-V868 WeakPolarHBondContact O-CA 3.45Å; L765-D869 PolarHBondContact O-N 2.96Å |
| 766 | Q | 92.1 | Very high | 93.5 | Very high | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 154.3 | 169.1 | -61.2 | -174.7 | -77.8 | 0 | 0 | 110.2 | Q769 D869 | Q766-Q769 HydrophobicContact CB-CG 4.11Å; Q766-Q769 WeakPolarHBondContact O-CG 3.25Å; Q766-D869 HydrophobicContact CG-CB 4.39Å |
| 767 | E | 93 | Very high | 93.6 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 174.2 | 168 | 68 | -164.8 | 136.7 | 0 | 0 | 113 | Q769 L819 R821 V868 D869 D870 V871 | E767-Q769 PolarHBondContact O-N 3.26Å; E767-L819 WeakPolarHBondContact CB-O 3.43Å; E767-R821 WeakPolarHBondContact OE2-CB 3.43Å; E767-R821 PolarHBondContact OE2-N 2.9Å; E767-V868 HydrophobicContact CB-CG1 3.61Å; E767-D869 PolarHBondContact N-O 2.92Å; E767-D870 WeakPolarHBondContact OE1-CA 3.44Å; E767-V871 HydrophobicContact CG-CB 4.13Å; E767-V871 HydrophobicContact CG-CG2 4.02Å; E767-V871 PolarHBondContact OE1-N 2.85Å |
| 768 | N | 90.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.4 | 179.5 | -76.3 | -58.2 | 0 | 0 | 0 | 115.4 | S818 L819 D873 | N768-S818 VanDerWaalsContact CA-OG 3.3Å; N768-S818 WeakPolarHBondContact CA-OG 3.29Å; N768-L819 PolarHBondContact N-O 3.29Å; N768-D873 PolarHBondContact ND2-OD2 2.88Å |
| 769 | Q | 91.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 136.4 | -179.5 | -67.5 | -62.3 | -45.8 | 0 | 0 | 113.1 | L765 Q766 E767 N815 S818 | L765-Q769 HydrophobicContact CD1-CB 4.3Å; L765-Q769 HydrophobicContact CD1-CG 4.2Å; L765-Q769 HydrophobicContact CD2-CB 4.36Å; L765-Q769 HydrophobicContact CG-CB 4.28Å; L765-Q769 HydrophobicContact CG-CG 4.15Å; Q766-Q769 HydrophobicContact CB-CG 4.11Å; Q766-Q769 WeakPolarHBondContact O-CG 3.25Å; E767-Q769 PolarHBondContact O-N 3.26Å; Q769-N815 PolarHBondContact O-ND2 2.82Å; Q769-S818 WeakPolarHBondContact O-CA 3.48Å |
| 770 | A | 92.8 | Very high | 94 | Very high | 66 Ų | 66 | 60 Ų | 60 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 150.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T773 N815 | A770-T773 WeakPolarHBondContact O-CB 3.34Å; A770-T773 PolarHBondContact O-N 2.95Å; A770-T773 PolarHBondContact O-OG1 2.9Å; A770-N815 PolarHBondContact O-ND2 2.7Å; A770-N815 PolarHBondContact O-OD1 3.3Å |
| 771 | R | 92.4 | Very high | 93.8 | Very high | 172 Ų | 172 | 59.6 Ų | 59.6 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 141.6 | 173 | 161.6 | 179.4 | -76.3 | 156 | 2.3 | 111.5 | T773 R816 | R771-T773 VanDerWaalsContact C-N 3.27Å; R771-R816 PolarHBondContact NE-O 2.82Å; R771-R816 PolarHBondContact NH2-O 2.84Å |
| 772 | S | 93.5 | Very high | 93.5 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 12.2 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 115.5 | R814 N815 | S772-R814 PolarHBondContact O-NH1 2.93Å; S772-N815 WeakPolarHBondContact CA-O 3.31Å; S772-N815 PolarHBondContact N-O 2.74Å; S772-N815 PolarHBondContact N-OD1 3.48Å |
| 773 | T | 95.3 | Very high | 93.1 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | trans | -59.5 | 141.2 | 164.9 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | L765 A770 R771 R814 N815 | L765-T773 HydrophobicContact CD1-CG2 3.82Å; A770-T773 WeakPolarHBondContact O-CB 3.34Å; A770-T773 PolarHBondContact O-N 2.95Å; A770-T773 PolarHBondContact O-OG1 2.9Å; R771-T773 VanDerWaalsContact C-N 3.27Å; T773-R814 CarbonylContact O-C 3.58Å; T773-R814 WeakPolarHBondContact O-CA 3.24Å; T773-R814 WeakPolarHBondContact O-CB 3.16Å; T773-N815 WeakPolarHBondContact CB-OD1 3.23Å; T773-N815 PolarHBondContact N-OD1 3.29Å; T773-N815 PolarHBondContact O-N 3.35Å; T773-N815 VanDerWaalsContact O-N 3.07Å; T773-N815 PolarHBondContact O-OD1 2.9Å | ||
| 774 | I | 95.9 | Very high | 92.6 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.1 | 178.3 | -61.3 | 173.5 | 0 | 0 | 0 | 108.4 | I812 R814 | I774-I812 HydrophobicContact CG1-CG2 4.37Å; I774-I812 HydrophobicContact CG2-CG2 4.04Å; I774-R814 HydrophobicContact CG1-CG 4.18Å |
| 775 | V | 95.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -39.1 | 177 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | F763 L765 F804 I813 N815 V866 | F763-V775 HydrophobicContact CB-CG1 3.75Å; F763-V775 WeakPolarHBondContact CB-O 3.14Å; F763-V775 HydrophobicContact CD2-CG1 4.34Å; F763-V775 HydrophobicContact CG-CG1 4.33Å; F763-V775 WeakPolarHBondContact CG-O 3.32Å; L765-V775 HydrophobicContact CD1-CG2 4.37Å; L765-V775 HydrophobicContact CD2-CG2 4.23Å; V775-F804 HydrophobicContact CG2-CD1 4.13Å; V775-F804 HydrophobicContact CG2-CE1 4.06Å; V775-I813 HydrophobicContact CB-CG2 4.3Å; V775-I813 PolarHBondContact N-O 2.83Å; V775-N815 HydrophobicContact CG2-CB 4.22Å; V775-V866 HydrophobicContact CG1-CB 4.31Å; V775-V866 HydrophobicContact CG1-CG1 3.64Å; V775-V866 HydrophobicContact CG1-CG2 3.67Å |
| 776 | G | 94.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -168.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I813 | G776-I813 PolarHBondContact N-O 2.81Å; G776-I813 PolarHBondContact O-N 3.29Å |
| 777 | Q | 95.9 | Very high | 89.2 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.8 | 175 | -177.3 | 178 | -0.3 | 0 | 0 | 109.3 | F763 N779 T810 G811 I812 | F763-Q777 WeakPolarHBondContact CZ-O 3.36Å; Q777-N779 PolarHBondContact NE2-OD1 2.85Å; Q777-T810 WeakPolarHBondContact CG-O 3.2Å; Q777-T810 PolarHBondContact NE2-O 2.73Å; Q777-G811 WeakPolarHBondContact CA-O 3.31Å; Q777-I812 HydrophobicContact CB-CG1 4.15Å; Q777-I812 HydrophobicContact CG-CG1 3.8Å |
| 778 | V | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -107.9 | 143.5 | 171.6 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | F756 Y761 F763 Y793 I806 G811 I813 V831 V864 | F756-V778 HydrophobicContact CD1-CB 4.24Å; F756-V778 HydrophobicContact CD1-CG2 4.45Å; F756-V778 HydrophobicContact CE1-CB 4.01Å; F756-V778 HydrophobicContact CE1-CG2 3.73Å; Y761-V778 HydrophobicContact CD1-CG1 4.13Å; Y761-V778 HydrophobicContact CD2-CB 4.16Å; Y761-V778 HydrophobicContact CD2-CG1 3.45Å; Y761-V778 VanDerWaalsContact CD2-CG1 3.45Å; Y761-V778 HydrophobicContact CE1-CB 4.32Å; Y761-V778 HydrophobicContact CE1-CG1 4.2Å; Y761-V778 HydrophobicContact CE2-CB 3.67Å; Y761-V778 HydrophobicContact CE2-CG1 3.51Å; Y761-V778 HydrophobicContact CG-CG1 3.78Å; F763-V778 HydrophobicContact CE2-CG1 4.33Å; F763-V778 HydrophobicContact CZ-CG1 4.37Å; V778-Y793 HydrophobicContact CG2-CD1 4.18Å; V778-Y793 HydrophobicContact CG2-CE1 4.42Å; V778-I806 HydrophobicContact CG2-CD1 4.09Å; V778-G811 PolarHBondContact N-O 3.41Å; V778-I813 HydrophobicContact CG1-CD1 4.03Å; V778-V831 HydrophobicContact CG2-CB 4.34Å; V778-V831 HydrophobicContact CG2-CG1 3.91Å; V778-V831 HydrophobicContact CG2-CG2 4.35Å; V778-V864 HydrophobicContact CG1-CG2 3.84Å | ||
| 779 | N | 93 | Very high | 86.7 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | trans | -127.7 | 142.3 | -176.9 | -73.3 | -16.6 | 0 | 0 | 0 | 110 | F756 S757 Y761 Q777 | F756-N779 CarbonylContact C-O 3.58Å; F756-N779 WeakPolarHBondContact CA-O 3.11Å; F756-N779 WeakPolarHBondContact CD1-O 3.33Å; S757-N779 PolarHBondContact N-O 2.97Å; Y761-N779 PolarHBondContact OH-N 3.27Å; Y761-N779 VanDerWaalsContact OH-N 3.16Å; Y761-N779 PolarHBondContact OH-O 3.47Å; Q777-N779 PolarHBondContact NE2-OD1 2.85Å | ||
| 780 | A | 90.9 | Very high | 85.8 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | V755 F756 L791 Y793 V833 | V755-A780 CarbonylContact O-C 3.58Å; V755-A780 WeakPolarHBondContact O-CA 3.14Å; V755-A780 WeakPolarHBondContact O-CB 3.18Å; F756-A780 HydrophobicContact CD1-CB 4.02Å; F756-A780 HydrophobicContact CE1-CB 4.34Å; F756-A780 HydrophobicContact CG-CB 4.26Å; A780-L791 HydrophobicContact CB-CD1 4.14Å; A780-Y793 HydrophobicContact CB-CE1 3.96Å; A780-Y793 PolarHBondContact N-OH 3.21Å; A780-V833 HydrophobicContact CB-CB 4.25Å; A780-V833 HydrophobicContact CB-CG1 3.79Å; A780-V833 HydrophobicContact CB-CG2 4.03Å |
| 781 | T | 89.5 | Confident | 85.5 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 142.5 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | P754 V755 | P754-T781 WeakPolarHBondContact CA-O 3.3Å; V755-T781 PolarHBondContact N-O 2.9Å; V755-T781 PolarHBondContact O-N 3.02Å |
| 782 | D | 88.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | trans | -106.3 | 157.7 | 164.1 | -121 | -40.7 | 0 | 0 | 0 | 110 | P754 L791 | P754-D782 HydrophobicContact CB-CB 4.49Å; P754-D782 VanDerWaalsContact CB-OD2 3.31Å; P754-D782 WeakPolarHBondContact CB-OD2 3.2Å; P754-D782 WeakPolarHBondContact CD-OD2 3.5Å; P754-D782 WeakPolarHBondContact CG-OD2 3.16Å; D782-L791 HydrophobicContact CB-CD2 4.35Å | ||
| 783 | V | 87.9 | Confident | 85.4 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | trans | -108 | -26.3 | 179.9 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | R716 E717 N752 | R716-V783 PolarHBondContact NH2-O 2.95Å; E717-V783 HydrophobicContact CG-CB 4.04Å; E717-V783 HydrophobicContact CG-CG2 3.92Å; N752-V783 HydrophobicContact CB-CG2 3.49Å; N752-V783 VanDerWaalsContact CB-CG2 3.49Å; N752-V783 VanDerWaalsContact CG-CG2 3.43Å; N752-V783 WeakPolarHBondContact ND2-CG2 3.21Å | ||
| 784 | D | 86.1 | Confident | 85.3 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -60.7 | 162.4 | 172.8 | -58 | 10.8 | 0 | 0 | 0 | 111.1 | E717 N750 D751 N752 Y788 | E717-D784 WeakPolarHBondContact OE1-CA 3.11Å; N750-D784 VanDerWaalsContact CA-OD2 3.24Å; N750-D784 WeakPolarHBondContact CA-OD2 3.08Å; D751-D784 PolarHBondContact N-OD2 2.76Å; N752-D784 WeakPolarHBondContact CB-OD1 3.05Å; N752-D784 PolarHBondContact N-OD1 3.05Å; N752-D784 PolarHBondContact N-OD2 2.88Å; N752-D784 PolarHBondContact ND2-OD1 3.04Å; D784-Y788 HydrophobicContact CB-CD2 4.25Å |
| 785 | S | 74.5 | Confident | 85.3 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | trans | -61.6 | 145.1 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 112.7 | D748 A787 Y788 | D748-S785 VanDerWaalsContact CG-N 3.3Å; D748-S785 WeakPolarHBondContact OD1-CB 3.42Å; D748-S785 PolarHBondContact OD1-N 2.93Å; D748-S785 WeakPolarHBondContact OD2-CB 3.47Å; D748-S785 PolarHBondContact OD2-N 2.84Å; S785-A787 PolarHBondContact O-N 2.67Å; S785-Y788 PolarHBondContact O-N 2.75Å | ||
| 786 | S | 70.6 | Confident | 85 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -50.7 | -10.4 | 171.7 | 63.6 | 0 | 0 | 0 | 0 | 116 | Y788 G789 | S786-Y788 VanDerWaalsContact C-N 3.29Å; S786-G789 PolarHBondContact O-N 2.73Å |
| 787 | A | 64.6 | Low | 84.8 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -61.9 | -31.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.6 | S785 G789 | S785-A787 PolarHBondContact O-N 2.67Å; A787-G789 VanDerWaalsContact C-N 3.25Å; A787-G789 PolarHBondContact O-N 3.24Å |
| 788 | Y | 68.3 | Low | 84.6 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -85.7 | 5.5 | 174.9 | -60.1 | -58.2 | 0 | 0 | 0 | 114.3 | D748 N750 D784 S785 S786 T836 | D748-Y788 PolarHBondContact O-OH 2.8Å; D748-Y788 VanDerWaalsContact OD2-CD2 3.23Å; D748-Y788 WeakPolarHBondContact OD2-CD2 3.27Å; D748-Y788 WeakPolarHBondContact OD2-CE2 3.26Å; N750-Y788 HydrophobicContact CB-CD1 3.92Å; N750-Y788 HydrophobicContact CB-CD2 3.81Å; N750-Y788 HydrophobicContact CB-CE1 4.03Å; N750-Y788 HydrophobicContact CB-CE2 3.9Å; N750-Y788 HydrophobicContact CB-CG 3.83Å; N750-Y788 WeakPolarHBondContact OD1-CB 2.84Å; N750-Y788 WeakPolarHBondContact OD1-CD2 3.11Å; D784-Y788 HydrophobicContact CB-CD2 4.25Å; S785-Y788 PolarHBondContact O-N 2.75Å; S786-Y788 VanDerWaalsContact C-N 3.29Å; Y788-T836 CarbonylContact C-O 3.57Å; Y788-T836 CarbonylContact O-C 3.58Å; Y788-T836 VanDerWaalsContact O-C 3.24Å; Y788-T836 PolarHBondContact O-N 2.81Å |
| 789 | G | 63.5 | Low | 84.4 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | trans | 102.3 | 172.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S786 A787 | S786-G789 PolarHBondContact O-N 2.73Å; A787-G789 VanDerWaalsContact C-N 3.25Å; A787-G789 PolarHBondContact O-N 3.24Å | ||
| 790 | P | 72.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | trans | -67.2 | 141.7 | 172.9 | 29.3 | -35.7 | 0 | 0 | 0 | 111.2 | T836 | P790-T836 VanDerWaalsContact CD-OG1 3.27Å; P790-T836 WeakPolarHBondContact CD-OG1 3.24Å; P790-T836 PolarHBondContact O-OG1 3.18Å | ||
| 791 | L | 86.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | trans | -71.2 | 142.2 | 176.9 | -59.8 | -174 | 0 | 0 | 0 | 112 | P754 A780 D782 V833 K834 | P754-L791 HydrophobicContact CB-CD1 3.92Å; P754-L791 HydrophobicContact CB-CD2 3.63Å; P754-L791 HydrophobicContact CB-CG 4.42Å; P754-L791 HydrophobicContact CG-CD2 3.93Å; A780-L791 HydrophobicContact CB-CD1 4.14Å; D782-L791 HydrophobicContact CB-CD2 4.35Å; L791-V833 HydrophobicContact CB-CG2 3.8Å; L791-V833 HydrophobicContact CD1-CG2 4.13Å; L791-V833 HydrophobicContact CG-CG2 4.38Å; L791-K834 WeakPolarHBondContact CA-O 3.44Å | ||
| 792 | E | 89.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.8 | 176.3 | -60.8 | -169.7 | 155 | 0 | 0 | 111.5 | K808 V833 K834 T836 | E792-K808 WeakPolarHBondContact CA-O 3.17Å; E792-K808 HydrophobicContact CB-CG 4.28Å; E792-K808 VanDerWaalsContact OE1-CE 3.26Å; E792-K808 WeakPolarHBondContact OE1-CE 3.23Å; E792-K808 IonicContact OE1-NZ 2.69Å; E792-K808 PolarHBondContact OE1-NZ 2.79Å; E792-K808 WeakPolarHBondContact OE2-CE 3.17Å; E792-K808 IonicContact OE2-NZ 3.47Å; E792-K808 PolarHBondContact OE2-NZ 2.74Å; E792-V833 WeakPolarHBondContact O-CA 3.47Å; E792-K834 HydrophobicContact CB-CG 4.1Å; E792-K834 PolarHBondContact N-O 3.26Å; E792-K834 VanDerWaalsContact N-O 3.08Å; E792-K834 PolarHBondContact O-N 2.92Å; E792-K834 WeakPolarHBondContact OE2-CE 3.31Å; E792-K834 IonicContact OE2-NZ 3.41Å; E792-K834 PolarHBondContact OE2-NZ 2.93Å; E792-T836 VanDerWaalsContact CD-CG2 3.47Å; E792-T836 HydrophobicContact CG-CG2 3.62Å |
| 793 | Y | 94 | Very high | 85 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 147.4 | 176.6 | -58.2 | -86 | 0 | 0 | 0 | 112.4 | F756 V778 A780 K808 I809 L832 V833 | F756-Y793 AromaticContact CE1-CD1 3.93Å; F756-Y793 HydrophobicContact CE1-CD1 3.93Å; F756-Y793 AromaticContact CE1-CE1 3.82Å; F756-Y793 HydrophobicContact CE1-CE1 3.82Å; F756-Y793 HydrophobicContact CZ-CD1 4.22Å; F756-Y793 HydrophobicContact CZ-CE1 4.42Å; V778-Y793 HydrophobicContact CG2-CD1 4.18Å; V778-Y793 HydrophobicContact CG2-CE1 4.42Å; A780-Y793 HydrophobicContact CB-CE1 3.96Å; A780-Y793 PolarHBondContact N-OH 3.21Å; Y793-K808 PolarHBondContact N-O 3.42Å; Y793-I809 WeakPolarHBondContact CE2-O 3.21Å; Y793-L832 CarbonylContact C-O 3.59Å; Y793-L832 WeakPolarHBondContact CA-O 3.46Å; Y793-V833 HydrophobicContact CD1-CB 3.99Å; Y793-V833 HydrophobicContact CD1-CG2 3.93Å; Y793-V833 HydrophobicContact CE1-CB 4.14Å; Y793-V833 HydrophobicContact CE1-CG2 3.85Å; Y793-V833 HydrophobicContact CG-CG2 4.48Å |
| 794 | S | 94.2 | Very high | 85.4 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 159.1 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | V831 L832 | S794-V831 VanDerWaalsContact O-CG1 3.29Å; S794-V831 WeakPolarHBondContact O-CG1 3.34Å; S794-L832 PolarHBondContact N-O 2.89Å; S794-L832 PolarHBondContact O-N 2.86Å |
| 795 | F | 94.9 | Very high | 85.9 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 151.1 | 170.1 | -62.8 | -46.2 | 0 | 0 | 0 | 111.8 | F804 I806 I813 F829 V831 | F795-F804 HydrophobicContact CE2-CB 4.12Å; F795-F804 HydrophobicContact CZ-CB 3.78Å; F795-I806 HydrophobicContact CD1-CB 4.28Å; F795-I806 HydrophobicContact CD1-CG2 3.9Å; F795-I806 HydrophobicContact CD2-CG2 4.02Å; F795-I806 HydrophobicContact CE1-CB 3.67Å; F795-I806 HydrophobicContact CE1-CD1 4.33Å; F795-I806 HydrophobicContact CE1-CG2 3.78Å; F795-I806 HydrophobicContact CE2-CB 4.18Å; F795-I806 HydrophobicContact CE2-CG2 3.94Å; F795-I806 HydrophobicContact CG-CG2 4Å; F795-I806 HydrophobicContact CZ-CB 3.62Å; F795-I806 HydrophobicContact CZ-CG2 3.81Å; F795-I813 HydrophobicContact CE1-CG1 4.44Å; F795-I813 HydrophobicContact CZ-CG2 4.42Å; F795-F829 AromaticContact CD1-CD2 3.91Å; F795-F829 HydrophobicContact CD1-CD2 3.91Å; F795-F829 AromaticContact CD1-CE2 3.99Å; F795-F829 HydrophobicContact CD1-CE2 3.99Å; F795-F829 AromaticContact CE1-CD2 3.89Å; F795-F829 HydrophobicContact CE1-CD2 3.89Å; F795-F829 AromaticContact CE1-CE2 3.49Å; F795-F829 HydrophobicContact CE1-CE2 3.49Å; F795-F829 VanDerWaalsContact CE1-CE2 3.49Å; F795-F829 HydrophobicContact CE1-CZ 4.36Å; F795-F829 HydrophobicContact CZ-CE2 4.24Å; F795-V831 HydrophobicContact CD1-CG2 4.08Å; F795-V831 HydrophobicContact CE1-CG2 4.24Å |
| 796 | A | 90 | Very high | 87 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | trans | -72.4 | 168.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D798 R830 L832 | A796-D798 PolarHBondContact O-N 2.78Å; A796-R830 HydrophobicContact CB-CB 3.83Å; A796-R830 PolarHBondContact N-O 3.06Å; A796-L832 HydrophobicContact CB-CD1 4.14Å; A796-L832 HydrophobicContact CB-CD2 4.45Å; A796-L832 HydrophobicContact CB-CG 4.15Å | ||
| 797 | N | 89.5 | Confident | 88.1 | Confident | 170 Ų | 170 | 49.9 Ų | 49.9 | 91% | 0.909 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -75.7 | 47.6 | 178.3 | -66.1 | -17.3 | 0 | 0 | 0 | 113.1 | ||
| 798 | D | 92.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | trans | -92.4 | 134.5 | 179.6 | -65.9 | -33.6 | 0 | 0 | 0 | 110.7 | A796 D800 S801 F829 R830 | A796-D798 PolarHBondContact O-N 2.78Å; D798-D800 VanDerWaalsContact C-N 3.32Å; D798-D800 PolarHBondContact O-N 2.98Å; D798-S801 WeakPolarHBondContact O-CB 3.41Å; D798-S801 PolarHBondContact O-N 2.79Å; D798-S801 VanDerWaalsContact O-N 3.1Å; D798-S801 PolarHBondContact O-OG 3.06Å; D798-F829 HydrophobicContact CB-CB 3.93Å; D798-R830 IonicContact OD1-CZ 2.99Å; D798-R830 IonicContact OD1-NE 3.63Å; D798-R830 PolarHBondContact OD1-NE 2.77Å; D798-R830 IonicContact OD1-NH2 2.83Å; D798-R830 PolarHBondContact OD1-NH2 3.24Å; D798-R830 VanDerWaalsContact OD2-CB 3.3Å; D798-R830 WeakPolarHBondContact OD2-CB 3.22Å; D798-R830 WeakPolarHBondContact OD2-CG 3.23Å; D798-R830 IonicContact OD2-CZ 2.77Å; D798-R830 PolarHBondContact OD2-N 3.22Å; D798-R830 IonicContact OD2-NE 3.46Å; D798-R830 PolarHBondContact OD2-NE 2.89Å; D798-R830 IonicContact OD2-NH2 2.83Å | ||
| 799 | P | 92 | Very high | 90.5 | Very high | 109 Ų | 109 | 55.9 Ų | 55.9 | 71% | 0.708 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -55.1 | -40.1 | -171.7 | -28.8 | 35.7 | 0 | 0 | 0 | 115 | S801 V802 | P799-S801 VanDerWaalsContact C-N 3.26Å; P799-S801 PolarHBondContact O-N 2.69Å; P799-V802 WeakPolarHBondContact O-CB 3.25Å; P799-V802 VanDerWaalsContact O-CG2 3.26Å; P799-V802 WeakPolarHBondContact O-CG2 3.48Å; P799-V802 PolarHBondContact O-N 3.49Å |
| 800 | D | 93.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -69 | -23.1 | -176.8 | -76.3 | -4.5 | 0 | 0 | 0 | 113.4 | D798 V802 N803 F804 K824 Y827 I828 F829 | D798-D800 VanDerWaalsContact C-N 3.32Å; D798-D800 PolarHBondContact O-N 2.98Å; D800-V802 PolarHBondContact O-N 2.69Å; D800-V802 VanDerWaalsContact O-N 3.12Å; D800-N803 PolarHBondContact O-N 3.3Å; D800-F804 VanDerWaalsContact O-CD2 3.3Å; D800-F804 WeakPolarHBondContact O-CD2 3.37Å; D800-K824 IonicContact OD1-NZ 2.69Å; D800-K824 PolarHBondContact OD1-NZ 3.28Å; D800-K824 IonicContact OD2-NZ 2.72Å; D800-K824 PolarHBondContact OD2-NZ 2.69Å; D800-Y827 HydrophobicContact CB-CD1 4.21Å; D800-Y827 WeakPolarHBondContact OD2-CA 3.3Å; D800-I828 PolarHBondContact OD2-N 3.26Å; D800-F829 HydrophobicContact CB-CD1 4.29Å |
| 801 | S | 92.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -60.8 | -22.1 | 176.5 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | D798 P799 N803 F804 | D798-S801 WeakPolarHBondContact O-CB 3.41Å; D798-S801 PolarHBondContact O-N 2.79Å; D798-S801 VanDerWaalsContact O-N 3.1Å; D798-S801 PolarHBondContact O-OG 3.06Å; P799-S801 VanDerWaalsContact C-N 3.26Å; P799-S801 PolarHBondContact O-N 2.69Å; S801-N803 PolarHBondContact O-N 2.85Å; S801-N803 VanDerWaalsContact O-N 3.16Å; S801-F804 PolarHBondContact O-N 2.84Å |
| 802 | V | 93.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -59.5 | -26.8 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | P799 D800 F804 R816 | P799-V802 WeakPolarHBondContact O-CB 3.25Å; P799-V802 VanDerWaalsContact O-CG2 3.26Å; P799-V802 WeakPolarHBondContact O-CG2 3.48Å; P799-V802 PolarHBondContact O-N 3.49Å; D800-V802 PolarHBondContact O-N 2.69Å; D800-V802 VanDerWaalsContact O-N 3.12Å; V802-F804 VanDerWaalsContact C-N 3.3Å; V802-F804 PolarHBondContact O-N 3.47Å; V802-R816 WeakPolarHBondContact O-CD 3.42Å; V802-R816 PolarHBondContact O-NH1 3.02Å |
| 803 | N | 94 | Very high | 93.7 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -84.9 | 1.8 | 179.2 | -67.4 | -15.4 | 0 | 0 | 0 | 113.8 | D800 S801 R816 Y827 | D800-N803 PolarHBondContact O-N 3.3Å; S801-N803 PolarHBondContact O-N 2.85Å; S801-N803 VanDerWaalsContact O-N 3.16Å; N803-R816 VanDerWaalsContact C-CB 3.47Å; N803-R816 WeakPolarHBondContact O-CB 3.33Å; N803-R816 PolarHBondContact O-N 3.49Å; N803-Y827 WeakPolarHBondContact ND2-CE1 3.4Å |
| 804 | F | 96.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 171.8 | -176.7 | -57.5 | -85.1 | 0 | 0 | 0 | 111.8 | V775 F795 D800 S801 V802 I813 R814 L819 Y827 F829 V866 | V775-F804 HydrophobicContact CG2-CD1 4.13Å; V775-F804 HydrophobicContact CG2-CE1 4.06Å; F795-F804 HydrophobicContact CE2-CB 4.12Å; F795-F804 HydrophobicContact CZ-CB 3.78Å; D800-F804 VanDerWaalsContact O-CD2 3.3Å; D800-F804 WeakPolarHBondContact O-CD2 3.37Å; S801-F804 PolarHBondContact O-N 2.84Å; V802-F804 VanDerWaalsContact C-N 3.3Å; V802-F804 PolarHBondContact O-N 3.47Å; F804-I813 HydrophobicContact CB-CG2 4.17Å; F804-I813 HydrophobicContact CD1-CG2 4.22Å; F804-I813 HydrophobicContact CG-CG2 4.44Å; F804-R814 CarbonylContact C-O 3.45Å; F804-R814 WeakPolarHBondContact CA-O 2.94Å; F804-R814 WeakPolarHBondContact CB-O 3.47Å; F804-L819 HydrophobicContact CE1-CD1 4.15Å; F804-L819 HydrophobicContact CZ-CD1 4Å; F804-Y827 HydrophobicContact CE2-CD1 4.34Å; F804-Y827 AromaticContact CE2-CG 3.98Å; F804-Y827 HydrophobicContact CE2-CG 3.98Å; F804-Y827 HydrophobicContact CZ-CD2 4.16Å; F804-Y827 HydrophobicContact CZ-CG 4.03Å; F804-F829 HydrophobicContact CB-CZ 4.45Å; F804-F829 AromaticContact CD2-CD1 3.94Å; F804-F829 HydrophobicContact CD2-CD1 3.94Å; F804-F829 AromaticContact CD2-CE1 3.35Å; F804-F829 HydrophobicContact CD2-CE1 3.35Å; F804-F829 AromaticContact CD2-CZ 3.94Å; F804-F829 HydrophobicContact CD2-CZ 3.94Å; F804-F829 HydrophobicContact CE2-CD1 4.09Å; F804-F829 AromaticContact CE2-CE1 3.5Å; F804-F829 HydrophobicContact CE2-CE1 3.5Å; F804-F829 VanDerWaalsContact CE2-CE1 3.5Å; F804-F829 HydrophobicContact CE2-CZ 4.4Å; F804-F829 AromaticContact CG-CE1 3.92Å; F804-F829 HydrophobicContact CG-CE1 3.92Å; F804-F829 HydrophobicContact CG-CZ 4.05Å; F804-F829 HydrophobicContact CZ-CE1 4.15Å; F804-V866 HydrophobicContact CE1-CB 4.34Å; F804-V866 HydrophobicContact CE1-CG1 4.16Å; F804-V866 HydrophobicContact CE1-CG2 3.93Å; F804-V866 HydrophobicContact CZ-CB 4.04Å; F804-V866 HydrophobicContact CZ-CG1 4.17Å; F804-V866 HydrophobicContact CZ-CG2 3.89Å |
| 805 | T | 96.5 | Very high | 93.9 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.8 | 166.1 | 57.8 | 0 | 0 | 0 | 0 | 109.3 | I813 R814 | T805-I813 CarbonylContact O-C 3.3Å; T805-I813 VanDerWaalsContact O-CA 3.3Å; T805-I813 WeakPolarHBondContact O-CA 3.49Å; T805-R814 PolarHBondContact N-O 3.16Å; T805-R814 PolarHBondContact O-N 3.06Å |
| 806 | I | 96.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.5 | 175.5 | -171.7 | 169.6 | 0 | 0 | 0 | 110.8 | V778 F795 I812 I813 V831 | V778-I806 HydrophobicContact CG2-CD1 4.09Å; F795-I806 HydrophobicContact CD1-CB 4.28Å; F795-I806 HydrophobicContact CD1-CG2 3.9Å; F795-I806 HydrophobicContact CD2-CG2 4.02Å; F795-I806 HydrophobicContact CE1-CB 3.67Å; F795-I806 HydrophobicContact CE1-CD1 4.33Å; F795-I806 HydrophobicContact CE1-CG2 3.78Å; F795-I806 HydrophobicContact CE2-CB 4.18Å; F795-I806 HydrophobicContact CE2-CG2 3.94Å; F795-I806 HydrophobicContact CG-CG2 4Å; F795-I806 HydrophobicContact CZ-CB 3.62Å; F795-I806 HydrophobicContact CZ-CG2 3.81Å; I806-I812 CarbonylContact C-O 3.51Å; I806-I812 WeakPolarHBondContact CA-O 3.41Å; I806-I813 HydrophobicContact CB-CG1 4.33Å; I806-I813 HydrophobicContact CD1-CG1 4.05Å; I806-I813 HydrophobicContact CG1-CG1 4.05Å; I806-V831 HydrophobicContact CD1-CB 4.45Å; I806-V831 HydrophobicContact CD1-CG1 3.4Å; I806-V831 HydrophobicContact CD1-CG2 4.12Å |
| 807 | D | 94.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 61 Ų | 61 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | trans | -77.3 | 129.3 | 171.9 | -178.6 | -89.4 | 0 | 0 | 0 | 111.5 | I809 T810 G811 I812 | D807-I809 VanDerWaalsContact C-N 3.31Å; D807-I809 PolarHBondContact O-N 2.95Å; D807-I809 PolarHBondContact OD1-N 2.86Å; D807-T810 VanDerWaalsContact CB-OG1 3.27Å; D807-T810 WeakPolarHBondContact CB-OG1 3.48Å; D807-T810 WeakPolarHBondContact OD1-CB 3.49Å; D807-T810 PolarHBondContact OD1-N 3.39Å; D807-T810 PolarHBondContact OD1-OG1 3.08Å; D807-G811 WeakPolarHBondContact O-CA 3.31Å; D807-G811 PolarHBondContact O-N 3.14Å; D807-I812 HydrophobicContact CB-CB 4.39Å; D807-I812 PolarHBondContact N-O 3.25Å | ||
| 808 | K | 91.9 | Very high | 94.1 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26 | -170.3 | -170.5 | -175.6 | 175.5 | -156.8 | 0 | 114.2 | E792 Y793 | E792-K808 WeakPolarHBondContact CA-O 3.17Å; E792-K808 HydrophobicContact CB-CG 4.28Å; E792-K808 VanDerWaalsContact OE1-CE 3.26Å; E792-K808 WeakPolarHBondContact OE1-CE 3.23Å; E792-K808 IonicContact OE1-NZ 2.69Å; E792-K808 PolarHBondContact OE1-NZ 2.79Å; E792-K808 WeakPolarHBondContact OE2-CE 3.17Å; E792-K808 IonicContact OE2-NZ 3.47Å; E792-K808 PolarHBondContact OE2-NZ 2.74Å; Y793-K808 PolarHBondContact N-O 3.42Å |
| 809 | I | 90 | Very high | 94.2 | Very high | 131 Ų | 131 | 54.4 Ų | 54.4 | 67% | 0.672 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -32.6 | -173 | -59.2 | 175.8 | 0 | 0 | 0 | 111 | Y793 D807 | Y793-I809 WeakPolarHBondContact CE2-O 3.21Å; D807-I809 VanDerWaalsContact C-N 3.31Å; D807-I809 PolarHBondContact O-N 2.95Å; D807-I809 PolarHBondContact OD1-N 2.86Å |
| 810 | T | 92.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -15 | -174 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | Q777 D807 I812 | Q777-T810 WeakPolarHBondContact CG-O 3.2Å; Q777-T810 PolarHBondContact NE2-O 2.73Å; D807-T810 VanDerWaalsContact CB-OG1 3.27Å; D807-T810 WeakPolarHBondContact CB-OG1 3.48Å; D807-T810 WeakPolarHBondContact OD1-CB 3.49Å; D807-T810 PolarHBondContact OD1-N 3.39Å; D807-T810 PolarHBondContact OD1-OG1 3.08Å; T810-I812 PolarHBondContact O-N 3.36Å; T810-I812 WeakPolarHBondContact OG1-CG1 3.1Å |
| 811 | G | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | 71.2 | 12.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q777 V778 D807 | Q777-G811 WeakPolarHBondContact CA-O 3.31Å; V778-G811 PolarHBondContact N-O 3.41Å; D807-G811 WeakPolarHBondContact O-CA 3.31Å; D807-G811 PolarHBondContact O-N 3.14Å | ||
| 812 | I | 97 | Very high | 94.3 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128 | 178.5 | -63.6 | 171.3 | 0 | 0 | 0 | 110.1 | I774 Q777 I806 D807 T810 R814 | I774-I812 HydrophobicContact CG1-CG2 4.37Å; I774-I812 HydrophobicContact CG2-CG2 4.04Å; Q777-I812 HydrophobicContact CB-CG1 4.15Å; Q777-I812 HydrophobicContact CG-CG1 3.8Å; I806-I812 CarbonylContact C-O 3.51Å; I806-I812 WeakPolarHBondContact CA-O 3.41Å; D807-I812 HydrophobicContact CB-CB 4.39Å; D807-I812 PolarHBondContact N-O 3.25Å; T810-I812 PolarHBondContact O-N 3.36Å; T810-I812 WeakPolarHBondContact OG1-CG1 3.1Å; I812-R814 HydrophobicContact CG2-CG 4.5Å |
| 813 | I | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.5 | -179.5 | -59.6 | 172.2 | 0 | 0 | 0 | 110.1 | F763 V775 G776 V778 F795 F804 T805 I806 F829 V831 V864 | F763-I813 HydrophobicContact CE2-CD1 4.24Å; V775-I813 HydrophobicContact CB-CG2 4.3Å; V775-I813 PolarHBondContact N-O 2.83Å; G776-I813 PolarHBondContact N-O 2.81Å; G776-I813 PolarHBondContact O-N 3.29Å; V778-I813 HydrophobicContact CG1-CD1 4.03Å; F795-I813 HydrophobicContact CE1-CG1 4.44Å; F795-I813 HydrophobicContact CZ-CG2 4.42Å; F804-I813 HydrophobicContact CB-CG2 4.17Å; F804-I813 HydrophobicContact CD1-CG2 4.22Å; F804-I813 HydrophobicContact CG-CG2 4.44Å; T805-I813 CarbonylContact O-C 3.3Å; T805-I813 VanDerWaalsContact O-CA 3.3Å; T805-I813 WeakPolarHBondContact O-CA 3.49Å; I806-I813 HydrophobicContact CB-CG1 4.33Å; I806-I813 HydrophobicContact CD1-CG1 4.05Å; I806-I813 HydrophobicContact CG1-CG1 4.05Å; I813-F829 HydrophobicContact CD1-CE2 4.19Å; I813-F829 HydrophobicContact CD1-CZ 4.47Å; I813-F829 HydrophobicContact CG2-CZ 4.23Å; I813-V831 HydrophobicContact CD1-CG2 4.12Å; I813-V864 HydrophobicContact CD1-CG1 4.08Å; I813-V864 HydrophobicContact CD1-CG2 3.95Å |
| 814 | R | 96.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 59.4 Ų | 59.4 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154 | 178.4 | -64.5 | 175.6 | -178.4 | -98 | 0.2 | 112.2 | S772 T773 I774 F804 T805 I812 | S772-R814 PolarHBondContact O-NH1 2.93Å; T773-R814 CarbonylContact O-C 3.58Å; T773-R814 WeakPolarHBondContact O-CA 3.24Å; T773-R814 WeakPolarHBondContact O-CB 3.16Å; I774-R814 HydrophobicContact CG1-CG 4.18Å; F804-R814 CarbonylContact C-O 3.45Å; F804-R814 WeakPolarHBondContact CA-O 2.94Å; F804-R814 WeakPolarHBondContact CB-O 3.47Å; T805-R814 PolarHBondContact N-O 3.16Å; T805-R814 PolarHBondContact O-N 3.06Å; I812-R814 HydrophobicContact CG2-CG 4.5Å |
| 815 | N | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 142.5 | 172.4 | 71.5 | -22.6 | 0 | 0 | 0 | 111.7 | L765 Q769 A770 S772 T773 V775 Q817 | L765-N815 HydrophobicContact CD2-CB 4.27Å; Q769-N815 PolarHBondContact O-ND2 2.82Å; A770-N815 PolarHBondContact O-ND2 2.7Å; A770-N815 PolarHBondContact O-OD1 3.3Å; S772-N815 WeakPolarHBondContact CA-O 3.31Å; S772-N815 PolarHBondContact N-O 2.74Å; S772-N815 PolarHBondContact N-OD1 3.48Å; T773-N815 WeakPolarHBondContact CB-OD1 3.23Å; T773-N815 PolarHBondContact N-OD1 3.29Å; T773-N815 PolarHBondContact O-N 3.35Å; T773-N815 VanDerWaalsContact O-N 3.07Å; T773-N815 PolarHBondContact O-OD1 2.9Å; V775-N815 HydrophobicContact CG2-CB 4.22Å; N815-Q817 PolarHBondContact ND2-O 3.33Å |
| 816 | R | 93.8 | Very high | 94 | Very high | 130 Ų | 130 | 63.2 Ų | 63.2 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -94.1 | -15.5 | 179 | -163.7 | -175.9 | 179.6 | -175.4 | -0.9 | 112.6 | R771 V802 N803 | R771-R816 PolarHBondContact NE-O 2.82Å; R771-R816 PolarHBondContact NH2-O 2.84Å; V802-R816 WeakPolarHBondContact O-CD 3.42Å; V802-R816 PolarHBondContact O-NH1 3.02Å; N803-R816 VanDerWaalsContact C-CB 3.47Å; N803-R816 WeakPolarHBondContact O-CB 3.33Å; N803-R816 PolarHBondContact O-N 3.49Å |
| 817 | Q | 91.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -153.1 | 170.3 | 176.7 | 58.1 | -178.6 | 45 | 0 | 0 | 109.8 | N815 L819 | N815-Q817 PolarHBondContact ND2-O 3.33Å; Q817-L819 HydrophobicContact CG-CD2 4.23Å |
| 818 | S | 93.2 | Very high | 94 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | trans | -60 | 143.1 | 164.6 | -160.2 | 0 | 0 | 0 | 0 | 109.4 | N768 Q769 | N768-S818 VanDerWaalsContact CA-OG 3.3Å; N768-S818 WeakPolarHBondContact CA-OG 3.29Å; Q769-S818 WeakPolarHBondContact O-CA 3.48Å | ||
| 819 | L | 93.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -111.8 | 152.5 | 173.9 | -51 | -178.7 | 0 | 0 | 0 | 108.3 | L765 E767 N768 F804 Q817 Y827 V868 | L765-L819 HydrophobicContact CD2-CD1 3.93Å; L765-L819 HydrophobicContact CD2-CG 4.5Å; E767-L819 WeakPolarHBondContact CB-O 3.43Å; N768-L819 PolarHBondContact N-O 3.29Å; F804-L819 HydrophobicContact CE1-CD1 4.15Å; F804-L819 HydrophobicContact CZ-CD1 4Å; Q817-L819 HydrophobicContact CG-CD2 4.23Å; L819-Y827 HydrophobicContact CB-CE2 4.32Å; L819-Y827 HydrophobicContact CD1-CD2 4.09Å; L819-Y827 HydrophobicContact CD1-CE2 3.75Å; L819-Y827 HydrophobicContact CD2-CE2 4.07Å; L819-Y827 HydrophobicContact CG-CE2 4.26Å; L819-V868 HydrophobicContact CB-CG2 4.23Å; L819-V868 HydrophobicContact CD1-CG2 4.26Å | ||
| 820 | D | 94.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -136.7 | 123.2 | -168.2 | 176.4 | 115.6 | 0 | 0 | 0 | 106 | E822 E823 K824 | D820-E822 PolarHBondContact OD2-N 3.47Å; D820-E823 HydrophobicContact CB-CB 4.2Å; D820-E823 WeakPolarHBondContact OD2-CB 3.3Å; D820-E823 PolarHBondContact OD2-N 3.34Å; D820-K824 PolarHBondContact O-N 3.4Å | ||
| 821 | R | 94.1 | Very high | 94.6 | Very high | 33 Ų | 33 | 54 Ų | 54 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.4 | -36.5 | -169.2 | -170.3 | -158.3 | 63.4 | 102.4 | -2.1 | 111 | E767 E823 K824 S825 V868 D870 K909 E911 | E767-R821 WeakPolarHBondContact OE2-CB 3.43Å; E767-R821 PolarHBondContact OE2-N 2.9Å; R821-E823 VanDerWaalsContact C-N 3.3Å; R821-E823 PolarHBondContact O-N 2.95Å; R821-K824 CarbonylContact O-C 3.58Å; R821-K824 PolarHBondContact O-N 3.34Å; R821-S825 PolarHBondContact O-N 2.74Å; R821-S825 VanDerWaalsContact O-N 3.12Å; R821-V868 HydrophobicContact CB-CG1 4.03Å; R821-V868 HydrophobicContact CG-CB 4.5Å; R821-V868 HydrophobicContact CG-CG1 4.5Å; R821-D870 IonicContact CZ-OD1 3.64Å; R821-D870 IonicContact NE-OD1 2.67Å; R821-D870 PolarHBondContact NE-OD1 3.37Å; R821-D870 IonicContact NH1-OD1 2.81Å; R821-D870 IonicContact NH2-OD1 3.9Å; R821-D870 PolarHBondContact NH2-OD1 3.26Å; R821-K909 PolarHBondContact NH2-O 3.31Å; R821-E911 IonicContact CZ-OE2 2.75Å; R821-E911 IonicContact NH1-OE2 3.59Å; R821-E911 PolarHBondContact NH1-OE2 2.91Å |
| 822 | E | 92.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -32.8 | 176.9 | -70.4 | 58.9 | -120.6 | 0 | 0 | 111.8 | D820 K909 | D820-E822 PolarHBondContact OD2-N 3.47Å; E822-K909 HydrophobicContact CG-CB 4.28Å; E822-K909 HydrophobicContact CG-CD 4.34Å |
| 823 | E | 92.1 | Very high | 94.4 | Very high | 151 Ų | 151 | 54.7 Ų | 54.7 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -72.7 | -53.3 | 167.2 | -174.9 | 176.9 | -152 | 0 | 0 | 111.3 | D820 R821 | D820-E823 HydrophobicContact CB-CB 4.2Å; D820-E823 WeakPolarHBondContact OD2-CB 3.3Å; D820-E823 PolarHBondContact OD2-N 3.34Å; R821-E823 VanDerWaalsContact C-N 3.3Å; R821-E823 PolarHBondContact O-N 2.95Å |
| 824 | K | 93.4 | Very high | 94 | Very high | 71 Ų | 71 | 58 Ų | 58 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -160.1 | 99.3 | -177.8 | -176.9 | 160.1 | 171.1 | 172.4 | 0 | 114.6 | D800 D820 R821 Q826 Y827 | D800-K824 IonicContact OD1-NZ 2.69Å; D800-K824 PolarHBondContact OD1-NZ 3.28Å; D800-K824 IonicContact OD2-NZ 2.72Å; D800-K824 PolarHBondContact OD2-NZ 2.69Å; D820-K824 PolarHBondContact O-N 3.4Å; R821-K824 CarbonylContact O-C 3.58Å; R821-K824 PolarHBondContact O-N 3.34Å; K824-Q826 VanDerWaalsContact C-N 3.3Å; K824-Q826 WeakPolarHBondContact CE-O 3.24Å; K824-Q826 WeakPolarHBondContact CG-O 3.24Å; K824-Q826 PolarHBondContact O-N 3.5Å; K824-Y827 HydrophobicContact CB-CE1 4.32Å; K824-Y827 HydrophobicContact CB-CE2 4.44Å; K824-Y827 HydrophobicContact CD-CD1 3.93Å; K824-Y827 HydrophobicContact CD-CE1 3.53Å; K824-Y827 HydrophobicContact CG-CD1 4.36Å; K824-Y827 HydrophobicContact CG-CE1 3.89Å; K824-Y827 HydrophobicContact CG-CE2 4.19Å; K824-Y827 WeakPolarHBondContact O-CE2 3.34Å |
| 825 | S | 93.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -66.1 | -12.4 | 178 | 63.2 | 0 | 0 | 0 | 0 | 117.5 | R821 V868 | R821-S825 PolarHBondContact O-N 2.74Å; R821-S825 VanDerWaalsContact O-N 3.12Å; S825-V868 PolarHBondContact O-N 2.64Å |
| 826 | Q | 95.7 | Very high | 92 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 132.1 | -176.1 | -170.8 | -177.1 | 42.2 | 0 | 0 | 113.1 | K824 I828 T865 V866 | K824-Q826 VanDerWaalsContact C-N 3.3Å; K824-Q826 WeakPolarHBondContact CE-O 3.24Å; K824-Q826 WeakPolarHBondContact CG-O 3.24Å; K824-Q826 PolarHBondContact O-N 3.5Å; Q826-I828 HydrophobicContact CG-CD1 4.47Å; Q826-I828 HydrophobicContact CG-CG1 4.21Å; Q826-T865 HydrophobicContact CG-CG2 4Å; Q826-T865 VanDerWaalsContact NE2-CG2 3.33Å; Q826-V866 CarbonylContact C-O 3.58Å; Q826-V866 WeakPolarHBondContact CA-O 3.36Å |
| 827 | Y | 96.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 53 Ų | 53 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.8 | 174.6 | -61.1 | -90.7 | 0 | 0 | 0 | 111.4 | D800 N803 F804 L819 K824 T865 V866 V868 | D800-Y827 HydrophobicContact CB-CD1 4.21Å; D800-Y827 WeakPolarHBondContact OD2-CA 3.3Å; N803-Y827 WeakPolarHBondContact ND2-CE1 3.4Å; F804-Y827 HydrophobicContact CE2-CD1 4.34Å; F804-Y827 AromaticContact CE2-CG 3.98Å; F804-Y827 HydrophobicContact CE2-CG 3.98Å; F804-Y827 HydrophobicContact CZ-CD2 4.16Å; F804-Y827 HydrophobicContact CZ-CG 4.03Å; L819-Y827 HydrophobicContact CB-CE2 4.32Å; L819-Y827 HydrophobicContact CD1-CD2 4.09Å; L819-Y827 HydrophobicContact CD1-CE2 3.75Å; L819-Y827 HydrophobicContact CD2-CE2 4.07Å; L819-Y827 HydrophobicContact CG-CE2 4.26Å; K824-Y827 HydrophobicContact CB-CE1 4.32Å; K824-Y827 HydrophobicContact CB-CE2 4.44Å; K824-Y827 HydrophobicContact CD-CD1 3.93Å; K824-Y827 HydrophobicContact CD-CE1 3.53Å; K824-Y827 HydrophobicContact CG-CD1 4.36Å; K824-Y827 HydrophobicContact CG-CE1 3.89Å; K824-Y827 HydrophobicContact CG-CE2 4.19Å; K824-Y827 WeakPolarHBondContact O-CE2 3.34Å; Y827-T865 WeakPolarHBondContact O-CA 2.95Å; Y827-V866 PolarHBondContact N-O 2.82Å; Y827-V866 PolarHBondContact O-N 2.77Å; Y827-V868 HydrophobicContact CD2-CG2 4.1Å; Y827-V868 HydrophobicContact CE2-CG2 3.8Å |
| 828 | I | 96.1 | Very high | 88.4 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.4 | -177 | -52.1 | 178.6 | 0 | 0 | 0 | 111.2 | D800 Q826 V864 T865 | D800-I828 PolarHBondContact OD2-N 3.26Å; Q826-I828 HydrophobicContact CG-CD1 4.47Å; Q826-I828 HydrophobicContact CG-CG1 4.21Å; I828-V864 WeakPolarHBondContact CA-O 3.3Å; I828-T865 HydrophobicContact CG1-CG2 4.34Å |
| 829 | F | 96.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 159.2 | 179.4 | 54.4 | -91.4 | 0 | 0 | 0 | 111.8 | F795 D798 D800 F804 I813 V831 V864 V866 | F795-F829 AromaticContact CD1-CD2 3.91Å; F795-F829 HydrophobicContact CD1-CD2 3.91Å; F795-F829 AromaticContact CD1-CE2 3.99Å; F795-F829 HydrophobicContact CD1-CE2 3.99Å; F795-F829 AromaticContact CE1-CD2 3.89Å; F795-F829 HydrophobicContact CE1-CD2 3.89Å; F795-F829 AromaticContact CE1-CE2 3.49Å; F795-F829 HydrophobicContact CE1-CE2 3.49Å; F795-F829 VanDerWaalsContact CE1-CE2 3.49Å; F795-F829 HydrophobicContact CE1-CZ 4.36Å; F795-F829 HydrophobicContact CZ-CE2 4.24Å; D798-F829 HydrophobicContact CB-CB 3.93Å; D800-F829 HydrophobicContact CB-CD1 4.29Å; F804-F829 HydrophobicContact CB-CZ 4.45Å; F804-F829 AromaticContact CD2-CD1 3.94Å; F804-F829 HydrophobicContact CD2-CD1 3.94Å; F804-F829 AromaticContact CD2-CE1 3.35Å; F804-F829 HydrophobicContact CD2-CE1 3.35Å; F804-F829 AromaticContact CD2-CZ 3.94Å; F804-F829 HydrophobicContact CD2-CZ 3.94Å; F804-F829 HydrophobicContact CE2-CD1 4.09Å; F804-F829 AromaticContact CE2-CE1 3.5Å; F804-F829 HydrophobicContact CE2-CE1 3.5Å; F804-F829 VanDerWaalsContact CE2-CE1 3.5Å; F804-F829 HydrophobicContact CE2-CZ 4.4Å; F804-F829 AromaticContact CG-CE1 3.92Å; F804-F829 HydrophobicContact CG-CE1 3.92Å; F804-F829 HydrophobicContact CG-CZ 4.05Å; F804-F829 HydrophobicContact CZ-CE1 4.15Å; I813-F829 HydrophobicContact CD1-CE2 4.19Å; I813-F829 HydrophobicContact CD1-CZ 4.47Å; I813-F829 HydrophobicContact CG2-CZ 4.23Å; F829-V831 HydrophobicContact CE2-CG2 4.34Å; F829-V864 HydrophobicContact CD2-CB 4.11Å; F829-V864 HydrophobicContact CE1-CG1 4.34Å; F829-V864 HydrophobicContact CE2-CB 3.63Å; F829-V864 HydrophobicContact CE2-CG1 3.82Å; F829-V864 HydrophobicContact CE2-CG2 4.2Å; F829-V864 HydrophobicContact CZ-CB 3.92Å; F829-V864 HydrophobicContact CZ-CG1 3.61Å; F829-V864 PolarHBondContact N-O 3.13Å; F829-V864 PolarHBondContact O-N 2.93Å; F829-V866 HydrophobicContact CE1-CG2 3.89Å; F829-V866 HydrophobicContact CZ-CG2 4.12Å |
| 830 | R | 95.4 | Very high | 84 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 145.2 | 176.4 | -64 | 166 | -69.4 | 170.3 | -2.5 | 112.4 | A796 D798 S862 T863 | A796-R830 HydrophobicContact CB-CB 3.83Å; A796-R830 PolarHBondContact N-O 3.06Å; D798-R830 IonicContact OD1-CZ 2.99Å; D798-R830 IonicContact OD1-NE 3.63Å; D798-R830 PolarHBondContact OD1-NE 2.77Å; D798-R830 IonicContact OD1-NH2 2.83Å; D798-R830 PolarHBondContact OD1-NH2 3.24Å; D798-R830 VanDerWaalsContact OD2-CB 3.3Å; D798-R830 WeakPolarHBondContact OD2-CB 3.22Å; D798-R830 WeakPolarHBondContact OD2-CG 3.23Å; D798-R830 IonicContact OD2-CZ 2.77Å; D798-R830 PolarHBondContact OD2-N 3.22Å; D798-R830 IonicContact OD2-NE 3.46Å; D798-R830 PolarHBondContact OD2-NE 2.89Å; D798-R830 IonicContact OD2-NH2 2.83Å; R830-S862 CarbonylContact C-O 3.49Å; R830-S862 VanDerWaalsContact CA-O 3.31Å; R830-S862 WeakPolarHBondContact CA-O 3.32Å; R830-T863 HydrophobicContact CG-CG2 4.21Å |
| 831 | V | 95.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.9 | 166.3 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | F756 V778 S794 F795 I806 I813 F829 T861 S862 V864 | F756-V831 HydrophobicContact CE1-CG1 4.3Å; F756-V831 WeakPolarHBondContact CE2-O 3.41Å; F756-V831 HydrophobicContact CZ-CB 4.13Å; F756-V831 HydrophobicContact CZ-CG1 3.91Å; V778-V831 HydrophobicContact CG2-CB 4.34Å; V778-V831 HydrophobicContact CG2-CG1 3.91Å; V778-V831 HydrophobicContact CG2-CG2 4.35Å; S794-V831 VanDerWaalsContact O-CG1 3.29Å; S794-V831 WeakPolarHBondContact O-CG1 3.34Å; F795-V831 HydrophobicContact CD1-CG2 4.08Å; F795-V831 HydrophobicContact CE1-CG2 4.24Å; I806-V831 HydrophobicContact CD1-CB 4.45Å; I806-V831 HydrophobicContact CD1-CG1 3.4Å; I806-V831 HydrophobicContact CD1-CG2 4.12Å; I813-V831 HydrophobicContact CD1-CG2 4.12Å; F829-V831 HydrophobicContact CE2-CG2 4.34Å; V831-T861 WeakPolarHBondContact O-CA 3.47Å; V831-S862 PolarHBondContact N-O 2.66Å; V831-S862 PolarHBondContact O-N 2.81Å; V831-V864 HydrophobicContact CG2-CG2 3.58Å |
| 832 | L | 93.3 | Very high | 79.5 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.3 | 175.1 | -55.3 | 176.5 | 0 | 0 | 0 | 109.3 | Y793 S794 A796 G860 | Y793-L832 CarbonylContact C-O 3.59Å; Y793-L832 WeakPolarHBondContact CA-O 3.46Å; S794-L832 PolarHBondContact N-O 2.89Å; S794-L832 PolarHBondContact O-N 2.86Å; A796-L832 HydrophobicContact CB-CD1 4.14Å; A796-L832 HydrophobicContact CB-CD2 4.45Å; A796-L832 HydrophobicContact CB-CG 4.15Å; L832-G860 WeakPolarHBondContact CA-O 3.24Å |
| 833 | V | 91.9 | Very high | 77.4 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.3 | 168.7 | 65.5 | 0 | 0 | 0 | 0 | 108.8 | P754 F756 A780 L791 E792 Y793 T859 G860 | P754-V833 HydrophobicContact CB-CG1 3.95Å; P754-V833 HydrophobicContact CB-CG2 4.35Å; P754-V833 HydrophobicContact CG-CG1 4.1Å; F756-V833 HydrophobicContact CD2-CG1 3.97Å; F756-V833 HydrophobicContact CE1-CB 4.38Å; F756-V833 HydrophobicContact CE1-CG1 4.42Å; F756-V833 HydrophobicContact CE2-CB 3.96Å; F756-V833 HydrophobicContact CE2-CG1 3.48Å; F756-V833 VanDerWaalsContact CE2-CG1 3.48Å; F756-V833 HydrophobicContact CZ-CB 3.7Å; F756-V833 HydrophobicContact CZ-CG1 3.73Å; A780-V833 HydrophobicContact CB-CB 4.25Å; A780-V833 HydrophobicContact CB-CG1 3.79Å; A780-V833 HydrophobicContact CB-CG2 4.03Å; L791-V833 HydrophobicContact CB-CG2 3.8Å; L791-V833 HydrophobicContact CD1-CG2 4.13Å; L791-V833 HydrophobicContact CG-CG2 4.38Å; E792-V833 WeakPolarHBondContact O-CA 3.47Å; Y793-V833 HydrophobicContact CD1-CB 3.99Å; Y793-V833 HydrophobicContact CD1-CG2 3.93Å; Y793-V833 HydrophobicContact CE1-CB 4.14Å; Y793-V833 HydrophobicContact CE1-CG2 3.85Å; Y793-V833 HydrophobicContact CG-CG2 4.48Å; V833-T859 CarbonylContact O-C 3.2Å; V833-T859 WeakPolarHBondContact O-CA 3.37Å; V833-G860 PolarHBondContact N-O 2.6Å; V833-G860 PolarHBondContact O-N 2.99Å |
| 834 | K | 88.2 | Confident | 74.9 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 30% | 0.3 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.2 | 178.6 | 59.4 | 166.3 | -175 | 160.7 | 0 | 112.3 | L791 E792 Y858 T859 | L791-K834 WeakPolarHBondContact CA-O 3.44Å; E792-K834 HydrophobicContact CB-CG 4.1Å; E792-K834 PolarHBondContact N-O 3.26Å; E792-K834 VanDerWaalsContact N-O 3.08Å; E792-K834 PolarHBondContact O-N 2.92Å; E792-K834 WeakPolarHBondContact OE2-CE 3.31Å; E792-K834 IonicContact OE2-NZ 3.41Å; E792-K834 PolarHBondContact OE2-NZ 2.93Å; K834-Y858 WeakPolarHBondContact CA-O 3.2Å; K834-T859 HydrophobicContact CB-CG2 3.99Å |
| 835 | D | 85 | Confident | 72.4 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | trans | -68.3 | 173.4 | 166.7 | 67.5 | 45.7 | 0 | 0 | 0 | 112.8 | N750 Q857 Y858 | N750-D835 PolarHBondContact ND2-OD2 3.18Å; D835-Q857 PolarHBondContact O-NE2 2.93Å; D835-Q857 VanDerWaalsContact O-NE2 3.16Å; D835-Q857 WeakPolarHBondContact OD1-CA 3.3Å; D835-Q857 VanDerWaalsContact OD1-CB 3.28Å; D835-Q857 WeakPolarHBondContact OD1-CB 3.15Å; D835-Q857 VanDerWaalsContact OD1-CG 3.29Å; D835-Q857 WeakPolarHBondContact OD1-CG 3.1Å; D835-Q857 PolarHBondContact OD1-NE2 3.28Å; D835-Q857 WeakPolarHBondContact OD2-CA 3.46Å; D835-Y858 PolarHBondContact N-O 3.25Å; D835-Y858 PolarHBondContact OD2-N 3.44Å | ||
| 836 | T | 65.6 | Low | 70 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 15% | 0.153 | 39% | 0.388 | C | S | . | . | trans | -139.7 | 109.2 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | Y788 P790 E792 I838 | Y788-T836 CarbonylContact C-O 3.57Å; Y788-T836 CarbonylContact O-C 3.58Å; Y788-T836 VanDerWaalsContact O-C 3.24Å; Y788-T836 PolarHBondContact O-N 2.81Å; P790-T836 VanDerWaalsContact CD-OG1 3.27Å; P790-T836 WeakPolarHBondContact CD-OG1 3.24Å; P790-T836 PolarHBondContact O-OG1 3.18Å; E792-T836 VanDerWaalsContact CD-CG2 3.47Å; E792-T836 HydrophobicContact CG-CG2 3.62Å; T836-I838 PolarHBondContact O-N 3.41Å | ||
| 837 | K | 57.9 | Low | 67.3 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | trans | -47.5 | 113.4 | 173 | -59.5 | -177.2 | -175.8 | -153.5 | 0 | 113.5 | S855 Q857 | K837-S855 WeakPolarHBondContact CD-OG 3.36Å; K837-S855 WeakPolarHBondContact CE-O 3.25Å; K837-S855 VanDerWaalsContact CE-OG 3.3Å; K837-S855 WeakPolarHBondContact CE-OG 3.3Å; K837-S855 PolarHBondContact NZ-O 2.64Å; K837-S855 PolarHBondContact NZ-OG 3.49Å; K837-Q857 HydrophobicContact CD-CG 4.22Å; K837-Q857 HydrophobicContact CG-CG 3.98Å | ||
| 838 | I | 53.7 | Low | 64.5 | Low | 74 Ų | 74 | 85.1 Ų | 85.1 | 38% | 0.379 | 44% | 0.438 | S | S | . | . | trans | 36.5 | 111.6 | 146 | -54.2 | 173.9 | 0 | 0 | 0 | 115.6 | T836 F843 | T836-I838 PolarHBondContact O-N 3.41Å; I838-F843 HydrophobicContact CG2-CE2 4.28Å | ||
| 839 | R | 49.5 | Very low | 62 | Low | 189 Ų | 189 | 88.7 Ų | 88.7 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | trans | -53.3 | 130 | 175 | -66.6 | 178.7 | 179.4 | 164.6 | 2 | 111.4 | S841 E842 | R839-S841 PolarHBondContact O-N 2.75Å; R839-E842 PolarHBondContact O-N 3Å | ||
| 840 | P | 44.7 | Very low | 59.4 | Low | 115 Ų | 115 | 96.8 Ų | 96.8 | 75% | 0.747 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -59.4 | -7 | -177.9 | -28.8 | 36.1 | 0 | 0 | 0 | 117 | E842 | P840-E842 VanDerWaalsContact C-N 3.31Å; P840-E842 PolarHBondContact O-N 3.49Å |
| 841 | S | 43.5 | Very low | 56.6 | Low | 98 Ų | 98 | 97 Ų | 97 | 69% | 0.685 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -69.6 | -19.5 | -178.9 | 44.6 | 0 | 0 | 0 | 0 | 114.9 | R839 | R839-S841 PolarHBondContact O-N 2.75Š|
| 842 | E | 49.8 | Very low | 53.6 | Low | 148 Ų | 148 | 104.8 Ų | 104.8 | 69% | 0.692 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -101.9 | -1.2 | -175.1 | -60.2 | -166.9 | 133 | 0 | 0 | 114.3 | R839 P840 N844 | R839-E842 PolarHBondContact O-N 3Å; P840-E842 VanDerWaalsContact C-N 3.31Å; P840-E842 PolarHBondContact O-N 3.49Å; E842-N844 PolarHBondContact O-N 2.99Å |
| 843 | F | 48.9 | Very low | 50.9 | Low | 126 Ų | 126 | 107.3 Ų | 107.3 | 55% | 0.553 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -65.5 | -1.9 | -172.5 | -105.2 | -97.3 | 0 | 0 | 0 | 116.4 | I838 S845 | I838-F843 HydrophobicContact CG2-CE2 4.28Å; F843-S845 PolarHBondContact O-N 2.89Å |
| 844 | N | 39.1 | Very low | 48.3 | Very low | 160 Ų | 160 | 116.2 Ų | 116.2 | 86% | 0.856 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -90.3 | 17 | -171.7 | -89.3 | -36.9 | 0 | 0 | 0 | 115.4 | E842 | E842-N844 PolarHBondContact O-N 2.99Š|
| 845 | S | 41.7 | Very low | 46.4 | Very low | 66 Ų | 66 | 115.6 Ų | 115.6 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -142.5 | 18.5 | 178.9 | 86.7 | 0 | 0 | 0 | 0 | 116.4 | K654 F843 | K654-S845 VanDerWaalsContact CE-OG 3.26Å; K654-S845 WeakPolarHBondContact CE-OG 3.44Å; K654-S845 PolarHBondContact NZ-OG 3.47Å; F843-S845 PolarHBondContact O-N 2.89Å |
| 846 | I | 42.3 | Very low | 45.1 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | trans | -104.1 | 120.2 | 176.1 | -62.6 | 176.9 | 0 | 0 | 0 | 108.6 | ||||
| 847 | S | 38.4 | Very low | 45.1 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -66.5 | 132.2 | 175.8 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | N849 | S847-N849 PolarHBondContact O-N 3.01Š| ||
| 848 | I | 37.3 | Very low | 46 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 91.3 | -178.2 | -54.9 | 172.4 | 0 | 0 | 0 | 108.6 | ||
| 849 | N | 43.3 | Very low | 47.5 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.4 | -24.1 | 164.9 | -94.5 | -24.4 | 0 | 0 | 0 | 114.6 | S847 L851 | S847-N849 PolarHBondContact O-N 3.01Å; N849-L851 VanDerWaalsContact C-N 3.32Å; N849-L851 PolarHBondContact O-N 3.24Å |
| 850 | K | 41.7 | Very low | 49.3 | Very low | 172 Ų | 172 | 114.5 Ų | 114.5 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -90.2 | 21.3 | 178.6 | -149.6 | -174 | 179.8 | -169.4 | 0 | 113.8 | D639 N852 | D639-K850 IonicContact OD2-NZ 2.83Å; D639-K850 PolarHBondContact OD2-NZ 2.83Å; K850-N852 PolarHBondContact O-N 3.3Å |
| 851 | L | 36.7 | Very low | 51.6 | Low | 118 Ų | 118 | 112.9 Ų | 112.9 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 12.9 | -165.2 | -114.6 | 163.7 | 0 | 0 | 0 | 115.8 | N849 | N849-L851 VanDerWaalsContact C-N 3.32Å; N849-L851 PolarHBondContact O-N 3.24Å |
| 852 | N | 33.6 | Very low | 54 | Low | 163 Ų | 163 | 108.3 Ų | 108.3 | 87% | 0.872 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -5.6 | -174.8 | -84.9 | -1.4 | 0 | 0 | 0 | 115.6 | K850 K854 | K850-N852 PolarHBondContact O-N 3.3Å; N852-K854 PolarHBondContact O-N 3.13Å |
| 853 | S | 36.3 | Very low | 56.2 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 76% | 0.755 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -78.3 | 113 | 161.8 | -68.3 | 0 | 0 | 0 | 0 | 108.8 | S855 | S853-S855 PolarHBondContact O-N 3.03Š|
| 854 | K | 36.8 | Very low | 58.5 | Low | 189 Ų | 189 | 97.4 Ų | 97.4 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | trans | -57.7 | 108.1 | 154.6 | -74.6 | 178.7 | 178.7 | 176.5 | 0 | 105.9 | N852 I856 | N852-K854 PolarHBondContact O-N 3.13Å; K854-I856 PolarHBondContact O-N 2.75Å; K854-I856 VanDerWaalsContact O-N 3.08Å | ||
| 855 | S | 48.2 | Very low | 61.2 | Low | 56 Ų | 56 | 90.8 Ų | 90.8 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 121.7 | 163.1 | 24.7 | 0 | 0 | 0 | 0 | 107.2 | K837 S853 | K837-S855 WeakPolarHBondContact CD-OG 3.36Å; K837-S855 WeakPolarHBondContact CE-O 3.25Å; K837-S855 VanDerWaalsContact CE-OG 3.3Å; K837-S855 WeakPolarHBondContact CE-OG 3.3Å; K837-S855 PolarHBondContact NZ-O 2.64Å; K837-S855 PolarHBondContact NZ-OG 3.49Å; S853-S855 PolarHBondContact O-N 3.03Å |
| 856 | I | 58 | Low | 63.8 | Low | 97 Ų | 97 | 87.7 Ų | 87.7 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 137.3 | -179.4 | -58.6 | 177.4 | 0 | 0 | 0 | 106 | N750 K854 Y858 | N750-I856 PolarHBondContact ND2-O 3.41Å; K854-I856 PolarHBondContact O-N 2.75Å; K854-I856 VanDerWaalsContact O-N 3.08Å; I856-Y858 HydrophobicContact CB-CE1 4.2Å; I856-Y858 HydrophobicContact CB-CE2 4.2Å; I856-Y858 HydrophobicContact CG2-CD1 3.88Å; I856-Y858 HydrophobicContact CG2-CD2 4.5Å; I856-Y858 HydrophobicContact CG2-CE1 3.46Å; I856-Y858 VanDerWaalsContact CG2-CE1 3.46Å; I856-Y858 HydrophobicContact CG2-CE2 4.16Å; I856-Y858 HydrophobicContact CG2-CG 4.39Å |
| 857 | Q | 65.3 | Low | 66.3 | Low | 87 Ų | 87 | 84.6 Ų | 84.6 | 41% | 0.407 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 121.1 | 167.4 | -60.8 | -156.6 | -101.2 | 0 | 0 | 107 | D835 K837 | D835-Q857 PolarHBondContact O-NE2 2.93Å; D835-Q857 VanDerWaalsContact O-NE2 3.16Å; D835-Q857 WeakPolarHBondContact OD1-CA 3.3Å; D835-Q857 VanDerWaalsContact OD1-CB 3.28Å; D835-Q857 WeakPolarHBondContact OD1-CB 3.15Å; D835-Q857 VanDerWaalsContact OD1-CG 3.29Å; D835-Q857 WeakPolarHBondContact OD1-CG 3.1Å; D835-Q857 PolarHBondContact OD1-NE2 3.28Å; D835-Q857 WeakPolarHBondContact OD2-CA 3.46Å; K837-Q857 HydrophobicContact CD-CG 4.22Å; K837-Q857 HydrophobicContact CG-CG 3.98Å |
| 858 | Y | 78.2 | Confident | 69 | Low | 65 Ų | 65 | 80 Ų | 80 | 26% | 0.255 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 157.1 | 177 | -55.4 | -78.9 | 0 | 0 | 0 | 110.7 | N750 N752 K834 D835 I856 | N750-Y858 HydrophobicContact CB-CE2 4.42Å; N750-Y858 VanDerWaalsContact ND2-CD2 3.3Å; N750-Y858 WeakPolarHBondContact ND2-CD2 3.48Å; N750-Y858 WeakPolarHBondContact ND2-CE2 3.08Å; N750-Y858 VanDerWaalsContact O-CE2 3.31Å; N750-Y858 WeakPolarHBondContact O-CE2 3.43Å; N750-Y858 PolarHBondContact O-OH 2.8Å; N752-Y858 WeakPolarHBondContact O-CD2 3.42Å; N752-Y858 VanDerWaalsContact O-CE2 3.3Å; N752-Y858 WeakPolarHBondContact O-CE2 3.15Å; K834-Y858 WeakPolarHBondContact CA-O 3.2Å; D835-Y858 PolarHBondContact N-O 3.25Å; D835-Y858 PolarHBondContact OD2-N 3.44Å; I856-Y858 HydrophobicContact CB-CE1 4.2Å; I856-Y858 HydrophobicContact CB-CE2 4.2Å; I856-Y858 HydrophobicContact CG2-CD1 3.88Å; I856-Y858 HydrophobicContact CG2-CD2 4.5Å; I856-Y858 HydrophobicContact CG2-CE1 3.46Å; I856-Y858 VanDerWaalsContact CG2-CE1 3.46Å; I856-Y858 HydrophobicContact CG2-CE2 4.16Å; I856-Y858 HydrophobicContact CG2-CG 4.39Å |
| 859 | T | 84.7 | Confident | 71.6 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 61% | 0.607 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 119.9 | -174.9 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | V833 K834 | V833-T859 CarbonylContact O-C 3.2Å; V833-T859 WeakPolarHBondContact O-CA 3.37Å; K834-T859 HydrophobicContact CB-CG2 3.99Å |
| 860 | G | 87.9 | Confident | 73.9 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 155.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P754 L832 V833 | P754-G860 WeakPolarHBondContact O-CA 3.24Å; P754-G860 PolarHBondContact O-N 2.8Å; L832-G860 WeakPolarHBondContact CA-O 3.24Å; V833-G860 PolarHBondContact N-O 2.6Å; V833-G860 PolarHBondContact O-N 2.99Å |
| 861 | T | 92.9 | Very high | 76.1 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.5 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | F756 V831 | F756-T861 VanDerWaalsContact CD2-C 3.49Å; V831-T861 WeakPolarHBondContact O-CA 3.47Å |
| 862 | S | 94 | Very high | 78.6 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.1 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | F756 T758 N759 Y761 R830 V831 | F756-S862 VanDerWaalsContact CD2-CB 3.46Å; F756-S862 VanDerWaalsContact CG-CB 3.47Å; T758-S862 PolarHBondContact O-OG 3.16Å; N759-S862 VanDerWaalsContact C-OG 3.27Å; N759-S862 WeakPolarHBondContact O-CA 3.2Å; N759-S862 PolarHBondContact O-OG 3.38Å; Y761-S862 VanDerWaalsContact CD2-OG 3.32Å; Y761-S862 WeakPolarHBondContact CD2-OG 3.3Å; Y761-S862 VanDerWaalsContact CE2-OG 3.32Å; Y761-S862 WeakPolarHBondContact CE2-OG 3.44Å; R830-S862 CarbonylContact C-O 3.49Å; R830-S862 VanDerWaalsContact CA-O 3.31Å; R830-S862 WeakPolarHBondContact CA-O 3.32Å; V831-S862 PolarHBondContact N-O 2.66Å; V831-S862 PolarHBondContact O-N 2.81Å |
| 863 | T | 96.1 | Very high | 81.3 | Confident | 45 Ų | 45 | 53 Ų | 53 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 140 | 175.7 | 69.3 | 0 | 0 | 0 | 0 | 110.5 | N759 N760 Y761 R830 | N759-T863 PolarHBondContact O-N 3.09Å; N760-T863 CarbonylContact C-O 3.29Å; N760-T863 VanDerWaalsContact CA-O 3.28Å; N760-T863 WeakPolarHBondContact CA-O 3.34Å; N760-T863 WeakPolarHBondContact CA-OG1 3.49Å; N760-T863 WeakPolarHBondContact CB-OG1 3.37Å; N760-T863 VanDerWaalsContact CG-OG1 3.25Å; N760-T863 PolarHBondContact OD1-OG1 3.34Å; Y761-T863 PolarHBondContact N-O 3.18Å; R830-T863 HydrophobicContact CG-CG2 4.21Å |
| 864 | V | 95.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.3 | 171.9 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | Y761 F763 V778 I813 I828 F829 V831 V866 | Y761-V864 HydrophobicContact CD2-CG2 4.39Å; Y761-V864 WeakPolarHBondContact O-CA 3.01Å; F763-V864 HydrophobicContact CD2-CG1 3.63Å; F763-V864 HydrophobicContact CE2-CG1 3.75Å; V778-V864 HydrophobicContact CG1-CG2 3.84Å; I813-V864 HydrophobicContact CD1-CG1 4.08Å; I813-V864 HydrophobicContact CD1-CG2 3.95Å; I828-V864 WeakPolarHBondContact CA-O 3.3Å; F829-V864 HydrophobicContact CD2-CB 4.11Å; F829-V864 HydrophobicContact CE1-CG1 4.34Å; F829-V864 HydrophobicContact CE2-CB 3.63Å; F829-V864 HydrophobicContact CE2-CG1 3.82Å; F829-V864 HydrophobicContact CE2-CG2 4.2Å; F829-V864 HydrophobicContact CZ-CB 3.92Å; F829-V864 HydrophobicContact CZ-CG1 3.61Å; F829-V864 PolarHBondContact N-O 3.13Å; F829-V864 PolarHBondContact O-N 2.93Å; V831-V864 HydrophobicContact CG2-CG2 3.58Å; V864-V866 HydrophobicContact CG1-CG2 4.21Å |
| 865 | T | 96.5 | Very high | 86.4 | Confident | 21 Ų | 21 | 47 Ų | 47 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.8 | 171.2 | -61.8 | 0 | 0 | 0 | 0 | 108.2 | Y761 T762 F763 Q826 Y827 I828 I867 | Y761-T865 PolarHBondContact O-N 2.78Å; T762-T865 CarbonylContact C-O 3.48Å; T762-T865 WeakPolarHBondContact CA-O 3.09Å; T762-T865 HydrophobicContact CG2-CG2 4.49Å; F763-T865 PolarHBondContact N-O 2.96Å; Q826-T865 HydrophobicContact CG-CG2 4Å; Q826-T865 VanDerWaalsContact NE2-CG2 3.33Å; Y827-T865 WeakPolarHBondContact O-CA 2.95Å; I828-T865 HydrophobicContact CG1-CG2 4.34Å; T865-I867 HydrophobicContact CG2-CG1 4.16Å |
| 866 | V | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.9 | 170.9 | -174 | 0 | 0 | 0 | 0 | 107.5 | F763 L765 V775 F804 Q826 Y827 F829 V864 | F763-V866 WeakPolarHBondContact O-CA 3.46Å; L765-V866 HydrophobicContact CB-CG1 4.36Å; V775-V866 HydrophobicContact CG1-CB 4.31Å; V775-V866 HydrophobicContact CG1-CG1 3.64Å; V775-V866 HydrophobicContact CG1-CG2 3.67Å; F804-V866 HydrophobicContact CE1-CB 4.34Å; F804-V866 HydrophobicContact CE1-CG1 4.16Å; F804-V866 HydrophobicContact CE1-CG2 3.93Å; F804-V866 HydrophobicContact CZ-CB 4.04Å; F804-V866 HydrophobicContact CZ-CG1 4.17Å; F804-V866 HydrophobicContact CZ-CG2 3.89Å; Q826-V866 CarbonylContact C-O 3.58Å; Q826-V866 WeakPolarHBondContact CA-O 3.36Å; Y827-V866 PolarHBondContact N-O 2.82Å; Y827-V866 PolarHBondContact O-N 2.77Å; F829-V866 HydrophobicContact CE1-CG2 3.89Å; F829-V866 HydrophobicContact CZ-CG2 4.12Å; V864-V866 HydrophobicContact CG1-CG2 4.21Å |
| 867 | I | 95.6 | Very high | 90 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136 | 173.1 | -62.2 | 175 | 0 | 0 | 0 | 107.5 | T762 F763 L765 T865 | T762-I867 HydrophobicContact CG2-CD1 3.74Å; T762-I867 HydrophobicContact CG2-CG1 4.24Å; F763-I867 PolarHBondContact O-N 2.76Å; L765-I867 PolarHBondContact N-O 3.12Å; T865-I867 HydrophobicContact CG2-CG1 4.16Å |
| 868 | V | 94.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.8 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | L765 E767 L819 R821 S825 Y827 | L765-V868 CarbonylContact O-C 3.6Å; L765-V868 VanDerWaalsContact O-CA 3.22Å; L765-V868 WeakPolarHBondContact O-CA 3.45Å; E767-V868 HydrophobicContact CB-CG1 3.61Å; L819-V868 HydrophobicContact CB-CG2 4.23Å; L819-V868 HydrophobicContact CD1-CG2 4.26Å; R821-V868 HydrophobicContact CB-CG1 4.03Å; R821-V868 HydrophobicContact CG-CB 4.5Å; R821-V868 HydrophobicContact CG-CG1 4.5Å; S825-V868 PolarHBondContact O-N 2.64Å; Y827-V868 HydrophobicContact CD2-CG2 4.1Å; Y827-V868 HydrophobicContact CE2-CG2 3.8Å |
| 869 | D | 91.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 137.2 | -178.3 | -47.2 | -57.8 | 0 | 0 | 0 | 111.8 | H764 L765 Q766 E767 | H764-D869 WeakPolarHBondContact CB-OD2 3.36Å; H764-D869 IonicContact CE1-OD1 3.58Å; H764-D869 IonicContact CG-OD1 2.69Å; H764-D869 IonicContact ND1-OD1 3.45Å; H764-D869 PolarHBondContact ND1-OD1 2.84Å; H764-D869 IonicContact ND1-OD2 3.58Å; L765-D869 PolarHBondContact O-N 2.96Å; Q766-D869 HydrophobicContact CG-CB 4.39Å; E767-D869 PolarHBondContact N-O 2.92Å |
| 870 | D | 90.9 | Very high | 91.5 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 143.4 | -176.2 | -174 | 97 | 0 | 0 | 0 | 114 | E767 R821 E911 N914 | E767-D870 WeakPolarHBondContact OE1-CA 3.44Å; R821-D870 IonicContact CZ-OD1 3.64Å; R821-D870 IonicContact NE-OD1 2.67Å; R821-D870 PolarHBondContact NE-OD1 3.37Å; R821-D870 IonicContact NH1-OD1 2.81Å; R821-D870 IonicContact NH2-OD1 3.9Å; R821-D870 PolarHBondContact NH2-OD1 3.26Å; D870-E911 HydrophobicContact CB-CB 4.04Å; D870-E911 VanDerWaalsContact OD1-CB 3.31Å; D870-E911 WeakPolarHBondContact OD1-CB 3.41Å; D870-E911 PolarHBondContact OD1-N 2.73Å; D870-E911 PolarHBondContact OD2-N 2.63Å; D870-N914 PolarHBondContact OD2-ND2 3Å |
| 871 | V | 89 | Confident | 91.1 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | trans | -133.5 | 137.1 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | E767 D873 | E767-V871 HydrophobicContact CG-CB 4.13Å; E767-V871 HydrophobicContact CG-CG2 4.02Å; E767-V871 PolarHBondContact OE1-N 2.85Å; V871-D873 VanDerWaalsContact O-CB 3.29Å; V871-D873 WeakPolarHBondContact O-CB 3.35Å; V871-D873 PolarHBondContact O-N 2.75Å | ||
| 872 | N | 89.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | trans | -61.1 | 108.2 | 175.6 | 176 | -82.2 | 0 | 0 | 0 | 109.7 | D910 N914 D991 P996 R999 | N872-D910 VanDerWaalsContact CA-OD2 3.24Å; N872-D910 WeakPolarHBondContact CA-OD2 3.26Å; N872-N914 HydrophobicContact CB-CB 3.99Å; N872-N914 PolarHBondContact N-ND2 3.17Å; N872-D991 PolarHBondContact ND2-OD2 2.73Å; N872-P996 HydrophobicContact CB-CG 4.04Å; N872-P996 WeakPolarHBondContact O-CG 3.32Å; N872-R999 PolarHBondContact O-NH2 2.92Å; N872-R999 VanDerWaalsContact OD1-CD 3.29Å; N872-R999 WeakPolarHBondContact OD1-CD 3.31Å; N872-R999 PolarHBondContact OD1-NE 2.82Å | ||
| 873 | D | 89.5 | Confident | 89.1 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | trans | -132.2 | -39 | -161.7 | 179.4 | -79 | 0 | 0 | 0 | 111.1 | N768 V871 D910 R999 | N768-D873 PolarHBondContact ND2-OD2 2.88Å; V871-D873 VanDerWaalsContact O-CB 3.29Å; V871-D873 WeakPolarHBondContact O-CB 3.35Å; V871-D873 PolarHBondContact O-N 2.75Å; D873-D910 PolarHBondContact N-OD2 3.05Å; D873-R999 VanDerWaalsContact C-NH1 3.32Å; D873-R999 PolarHBondContact O-NH1 3.25Å; D873-R999 PolarHBondContact O-NH2 2.75Å | ||
| 874 | N | 89.6 | Confident | 88.1 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -88.8 | -158.2 | 177.9 | -66.1 | -96.3 | 0 | 0 | 0 | 111.9 | D908 K909 D910 R999 | N874-D908 VanDerWaalsContact CB-OD1 3.3Å; N874-D908 WeakPolarHBondContact CB-OD1 3.4Å; N874-K909 HydrophobicContact CB-CB 4.19Å; N874-K909 HydrophobicContact CB-CG 4.47Å; N874-K909 WeakPolarHBondContact OD1-CE 3.49Å; N874-K909 PolarHBondContact OD1-NZ 2.84Å; N874-D910 VanDerWaalsContact CB-OD1 3.23Å; N874-D910 WeakPolarHBondContact CB-OD1 2.94Å; N874-D910 PolarHBondContact N-OD1 2.78Å; N874-D910 VanDerWaalsContact N-OD1 3.13Å; N874-D910 PolarHBondContact N-OD2 2.66Å; N874-D910 VanDerWaalsContact N-OD2 3.08Å; N874-D910 PolarHBondContact ND2-OD1 2.68Å; N874-R999 WeakPolarHBondContact O-CD 3.38Å; N874-R999 VanDerWaalsContact O-CZ 3.25Å; N874-R999 PolarHBondContact O-NE 3.05Å; N874-R999 PolarHBondContact O-NH1 3.33Å |
| 875 | W | 90.1 | Very high | 87 | Confident | 144 Ų | 144 | 49.3 Ų | 49.3 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | trans | -155.7 | 147.6 | -176.5 | -79.6 | 72.1 | 0 | 0 | 0 | 109.1 | V877 D908 R999 | W875-V877 PolarHBondContact O-N 3.39Å; W875-D908 VanDerWaalsContact C-CG 3.45Å; W875-D908 WeakPolarHBondContact CA-OD2 3.19Å; W875-D908 PolarHBondContact N-OD1 3.2Å; W875-R999 HydrophobicContact CD2-CB 3.88Å; W875-R999 HydrophobicContact CD2-CG 4.35Å; W875-R999 HydrophobicContact CE3-CB 3.84Å; W875-R999 HydrophobicContact CG-CB 4.31Å; W875-R999 HydrophobicContact CZ3-CB 4.23Å | ||
| 876 | P | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -66.9 | 135.2 | 177.1 | -23.4 | 33.9 | 0 | 0 | 0 | 112.5 | E907 D908 I917 D991 T1001 | P876-E907 CarbonylContact C-O 3.54Å; P876-E907 WeakPolarHBondContact CA-O 3.46Å; P876-D908 WeakPolarHBondContact CD-OD2 3.36Å; P876-D908 WeakPolarHBondContact CG-OD2 3.26Å; P876-I917 HydrophobicContact CB-CD1 4.14Å; P876-I917 HydrophobicContact CB-CG1 4.24Å; P876-I917 HydrophobicContact CG-CG1 4.4Å; P876-D991 HydrophobicContact CG-CB 3.95Å; P876-T1001 WeakPolarHBondContact O-CB 3.25Å; P876-T1001 PolarHBondContact O-OG1 3.47Å | ||
| 877 | V | 90.5 | Very high | 85.5 | Confident | 94 Ų | 94 | 54 Ų | 54 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122 | -179.1 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | W875 V879 A906 E907 | W875-V877 PolarHBondContact O-N 3.39Å; V877-V879 PolarHBondContact O-N 3.37Å; V877-A906 CarbonylContact O-C 3.6Å; V877-A906 WeakPolarHBondContact O-CA 3.29Å; V877-A906 VanDerWaalsContact O-CB 3.3Å; V877-A906 WeakPolarHBondContact O-CB 3.26Å; V877-E907 PolarHBondContact N-O 3.08Å; V877-E907 PolarHBondContact O-N 3.03Å |
| 878 | F | 89.5 | Confident | 84.8 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 124.8 | 177.1 | -77.9 | -76.7 | 0 | 0 | 0 | 113.1 | I904 A906 Y919 L987 A989 T1001 | F878-I904 HydrophobicContact CD1-CG2 4.13Å; F878-I904 HydrophobicContact CE1-CG2 3.66Å; F878-A906 HydrophobicContact CD1-CB 4.25Å; F878-Y919 HydrophobicContact CE1-CD1 4.48Å; F878-L987 HydrophobicContact CZ-CB 4.24Å; F878-A989 HydrophobicContact CD1-CB 4.42Å; F878-A989 HydrophobicContact CE1-CB 3.74Å; F878-A989 HydrophobicContact CE2-CB 3.95Å; F878-A989 HydrophobicContact CZ-CB 3.48Å; F878-A989 VanDerWaalsContact CZ-CB 3.48Å; F878-T1001 HydrophobicContact CD2-CG2 3.94Å; F878-T1001 HydrophobicContact CE2-CG2 4.22Å; F878-T1001 WeakPolarHBondContact CE2-O 3.47Å |
| 879 | V | 87.5 | Confident | 83.7 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -38.3 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | V877 Q905 E907 | V877-V879 PolarHBondContact O-N 3.37Å; V879-Q905 HydrophobicContact CB-CG 4.29Å; V879-Q905 PolarHBondContact N-O 2.96Å; V879-E907 HydrophobicContact CG2-CB 4.19Å; V879-E907 HydrophobicContact CG2-CG 3.75Å |
| 880 | S | 82.8 | Confident | 82.7 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 131.2 | 178.9 | 178 | 0 | 0 | 0 | 0 | 110.9 | Y903 I904 Q905 | S880-Y903 PolarHBondContact OG-O 2.79Å; S880-I904 CarbonylContact O-C 3.52Å; S880-I904 WeakPolarHBondContact O-CA 3.15Å; S880-Q905 PolarHBondContact N-O 3.01Å; S880-Q905 PolarHBondContact O-N 2.83Å |
| 881 | P | 79 | Confident | 81.3 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.045 | 33% | 0.329 | C | S | . | . | S | Bend | cis | -64.3 | 141.7 | -13.1 | 29.2 | -36.8 | 0 | 0 | 0 | 111.1 | Y1003 L1006 | P881-Y1003 HydrophobicContact CB-CE1 4.21Å; P881-Y1003 HydrophobicContact CB-CE2 4.34Å; P881-Y1003 HydrophobicContact CG-CD1 3.85Å; P881-Y1003 HydrophobicContact CG-CD2 4.3Å; P881-Y1003 HydrophobicContact CG-CE1 3.53Å; P881-Y1003 HydrophobicContact CG-CE2 3.99Å; P881-Y1003 HydrophobicContact CG-CG 4.23Å; P881-Y1003 WeakPolarHBondContact O-CE2 3.47Å; P881-L1006 HydrophobicContact CG-CD1 4.39Å |
| 882 | N | 76 | Confident | 79.9 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -86 | -179.1 | 169.8 | 66.1 | 28.7 | 0 | 0 | 0 | 110.8 | T884 A885 Y1003 | N882-T884 PolarHBondContact O-N 2.97Å; N882-T884 VanDerWaalsContact O-N 3.16Å; N882-T884 PolarHBondContact OD1-N 3.05Å; N882-T884 PolarHBondContact OD1-OG1 2.86Å; N882-A885 PolarHBondContact O-N 2.85Å; N882-A885 WeakPolarHBondContact OD1-CB 3.18Å; N882-A885 PolarHBondContact OD1-N 2.75Å; N882-Y1003 PolarHBondContact O-OH 3.06Å | ||
| 883 | S | 69.8 | Low | 78.2 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 77% | 0.769 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.7 | -14.4 | -177.1 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 884 | T | 75.2 | Confident | 76.2 | Confident | 120 Ų | 120 | 66.6 Ų | 66.6 | 74% | 0.736 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -104.5 | -21.7 | 178.2 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | N882 N886 | N882-T884 PolarHBondContact O-N 2.97Å; N882-T884 VanDerWaalsContact O-N 3.16Å; N882-T884 PolarHBondContact OD1-N 3.05Å; N882-T884 PolarHBondContact OD1-OG1 2.86Å; T884-N886 PolarHBondContact O-N 3.27Å |
| 885 | A | 72.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 49% | 0.488 | 40% | 0.395 | S | S | . | . | trans | -99.3 | 38.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N882 T887 | N882-A885 PolarHBondContact O-N 2.85Å; N882-A885 WeakPolarHBondContact OD1-CB 3.18Å; N882-A885 PolarHBondContact OD1-N 2.75Å; A885-T887 PolarHBondContact O-N 2.88Å | ||
| 886 | N | 80.1 | Confident | 72.7 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | trans | -83.9 | 0.8 | -168.5 | 78.9 | -4.4 | 0 | 0 | 0 | 116.2 | T884 Y1003 K1007 | T884-N886 PolarHBondContact O-N 3.27Å; N886-Y1003 WeakPolarHBondContact CA-OH 3.17Å; N886-Y1003 HydrophobicContact CB-CE1 4.49Å; N886-Y1003 WeakPolarHBondContact CB-OH 3.48Å; N886-K1007 PolarHBondContact O-N 2.91Å | ||
| 887 | T | 79.2 | Confident | 71.1 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.3 | -170.7 | -63 | 0 | 0 | 0 | 0 | 112.3 | A885 K1007 M1009 | A885-T887 PolarHBondContact O-N 2.88Å; T887-K1007 CarbonylContact C-O 3.58Å; T887-K1007 WeakPolarHBondContact CA-O 3.44Å; T887-K1007 HydrophobicContact CG2-CB 4.43Å; T887-K1007 HydrophobicContact CG2-CD 4.2Å; T887-K1007 HydrophobicContact CG2-CG 4.38Å; T887-M1009 HydrophobicContact CG2-CE 3.71Å; T887-M1009 HydrophobicContact CG2-CG 4.36Å; T887-M1009 HydrophobicContact CG2-SD 4.19Å |
| 888 | L | 82 | Confident | 70.3 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.9 | 176.1 | -150.4 | 82.8 | 0 | 0 | 0 | 110.4 | L901 A902 K1007 I1008 M1009 | L888-L901 HydrophobicContact CD2-CB 3.65Å; L888-L901 HydrophobicContact CD2-CD2 4.08Å; L888-L901 HydrophobicContact CD2-CG 4.32Å; L888-A902 HydrophobicContact CD1-CB 4.33Å; L888-K1007 PolarHBondContact N-O 3.26Å; L888-I1008 HydrophobicContact CB-CG1 4.39Å; L888-I1008 WeakPolarHBondContact O-CA 3.11Å; L888-M1009 PolarHBondContact O-N 2.03Å |
| 889 | A | 71 | Confident | 69.6 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 60% | 0.595 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1009 | A889-M1009 CarbonylContact C-O 3.49Å; A889-M1009 WeakPolarHBondContact CA-O 3.41Å; A889-M1009 HydrophobicContact CB-CE 4.25Å |
| 890 | I | 71.2 | Confident | 69.5 | Low | 10 Ų | 10 | 76.8 Ų | 76.8 | 5% | 0.051 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 120.5 | -173.2 | -49.6 | 171.7 | 0 | 0 | 0 | 109 | L901 I1008 M1009 I1010 Q1011 | I890-L901 HydrophobicContact CD1-CD2 3.52Å; I890-L901 HydrophobicContact CG1-CD2 4.14Å; I890-I1008 HydrophobicContact CD1-CG2 3.64Å; I890-I1008 HydrophobicContact CG1-CG2 4.34Å; I890-M1009 PolarHBondContact N-O 2.75Å; I890-I1010 HydrophobicContact CB-CG1 4.43Å; I890-I1010 HydrophobicContact CD1-CG1 4.29Å; I890-I1010 CarbonylContact O-C 3.6Å; I890-I1010 WeakPolarHBondContact O-CA 3.32Å; I890-Q1011 PolarHBondContact O-N 3.15Å |
| 891 | A | 62.2 | Low | 69.5 | Low | 33 Ų | 33 | 75.8 Ų | 75.8 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | D893 Q1011 | A891-D893 PolarHBondContact O-N 2.79Å; A891-Q1011 WeakPolarHBondContact CA-O 3.33Å |
| 892 | L | 58.9 | Low | 69.8 | Low | 55 Ų | 55 | 76.8 Ų | 76.8 | 29% | 0.288 | 44% | 0.442 | S | S | . | . | trans | -96.2 | 72.4 | 177.9 | -81.2 | 176.1 | 0 | 0 | 0 | 112.6 | L977 I1010 Q1011 | L892-L977 HydrophobicContact CD1-CD2 4.21Å; L892-I1010 HydrophobicContact CD1-CG2 3.5Å; L892-I1010 VanDerWaalsContact CD1-CG2 3.5Å; L892-I1010 HydrophobicContact CG-CG2 3.9Å; L892-Q1011 PolarHBondContact N-O 3.01Å | ||
| 893 | D | 53.5 | Low | 70.4 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -98.6 | 91.6 | 165.7 | 51 | -14.1 | 0 | 0 | 0 | 110.7 | A891 K895 | A891-D893 PolarHBondContact O-N 2.79Å; D893-K895 VanDerWaalsContact C-N 3.27Å; D893-K895 PolarHBondContact O-N 2.81Å; D893-K895 VanDerWaalsContact O-N 3.11Å; D893-K895 IonicContact OD1-NZ 2.95Å; D893-K895 PolarHBondContact OD1-NZ 3.23Å |
| 894 | Q | 46.6 | Very low | 71.4 | Confident | 198 Ų | 198 | 74.3 Ų | 74.3 | 93% | 0.925 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 57.7 | 21.6 | 171.8 | -58.9 | -172.8 | -34.1 | 0 | 0 | 117.2 | ||
| 895 | K | 51.7 | Low | 72.2 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | trans | -78.6 | 141.8 | -176.9 | -77.3 | 163.3 | -175.5 | 141.7 | 0 | 113.9 | D893 Y899 | D893-K895 VanDerWaalsContact C-N 3.27Å; D893-K895 PolarHBondContact O-N 2.81Å; D893-K895 VanDerWaalsContact O-N 3.11Å; D893-K895 IonicContact OD1-NZ 2.95Å; D893-K895 PolarHBondContact OD1-NZ 3.23Å; K895-Y899 HydrophobicContact CD-CD2 4.1Å; K895-Y899 HydrophobicContact CD-CE2 3.75Å; K895-Y899 HydrophobicContact CG-CD2 4.32Å; K895-Y899 HydrophobicContact CG-CE2 4.35Å | ||
| 896 | I | 55 | Low | 73 | Confident | 143 Ų | 143 | 70.5 Ų | 70.5 | 73% | 0.733 | 38% | 0.376 | S | S | * | . | trans | -106.9 | 161.3 | -173.2 | -55.4 | 167.2 | 0 | 0 | 0 | 108.9 | ||||
| 897 | T | 59.4 | Low | 73.6 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 156.5 | -179.6 | -19.6 | 0 | 0 | 0 | 0 | 114.4 | Y899 S942 N943 | T897-Y899 VanDerWaalsContact C-N 3.34Å; T897-S942 VanDerWaalsContact CG2-C 3.42Å; T897-S942 WeakPolarHBondContact CG2-O 3.18Å; T897-N943 WeakPolarHBondContact CB-OD1 3.29Å; T897-N943 HydrophobicContact CG2-CB 3.57Å; T897-N943 WeakPolarHBondContact CG2-OD1 2.96Å; T897-N943 PolarHBondContact OG1-OD1 2.63Å; T897-N943 VanDerWaalsContact OG1-OD1 3.08Å |
| 898 | G | 71.8 | Confident | 74.2 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 6.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K900 L941 | G898-K900 PolarHBondContact O-N 3.43Å; G898-L941 WeakPolarHBondContact CA-O 3.23Å; G898-L941 PolarHBondContact N-O 2.82Å |
| 899 | Y | 76.8 | Confident | 74.7 | Confident | 96 Ų | 96 | 76 Ų | 76 | 38% | 0.376 | 39% | 0.394 | S | S | . | . | trans | -64.1 | 122 | 179.4 | -176.5 | -93.2 | 0 | 0 | 0 | 111.7 | K895 T897 L901 Y940 L941 | K895-Y899 HydrophobicContact CD-CD2 4.1Å; K895-Y899 HydrophobicContact CD-CE2 3.75Å; K895-Y899 HydrophobicContact CG-CD2 4.32Å; K895-Y899 HydrophobicContact CG-CE2 4.35Å; T897-Y899 VanDerWaalsContact C-N 3.34Å; Y899-L901 HydrophobicContact CD1-CD2 3.8Å; Y899-L901 HydrophobicContact CE1-CD2 3.98Å; Y899-Y940 CarbonylContact O-C 3.58Å; Y899-Y940 WeakPolarHBondContact O-CA 2.96Å; Y899-L941 HydrophobicContact CD1-CD1 4.35Å; Y899-L941 PolarHBondContact O-N 2.75Å | ||
| 900 | K | 83.9 | Confident | 75.7 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 142.1 | 179.3 | -62.5 | -170.2 | 176.6 | -160.2 | 0 | 111.4 | G898 L938 | G898-K900 PolarHBondContact O-N 3.43Å; K900-L938 HydrophobicContact CB-CD1 4.05Å; K900-L938 HydrophobicContact CD-CD1 3.85Å; K900-L938 HydrophobicContact CD-CD2 3.92Å; K900-L938 HydrophobicContact CG-CD1 3.96Å; K900-L938 HydrophobicContact CG-CD2 4.25Å |
| 901 | L | 83.6 | Confident | 76.6 | Confident | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.131 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -55.8 | -172.6 | -66.9 | -178.5 | 0 | 0 | 0 | 113.2 | L888 I890 Y899 F930 L939 L941 | L888-L901 HydrophobicContact CD2-CB 3.65Å; L888-L901 HydrophobicContact CD2-CD2 4.08Å; L888-L901 HydrophobicContact CD2-CG 4.32Å; I890-L901 HydrophobicContact CD1-CD2 3.52Å; I890-L901 HydrophobicContact CG1-CD2 4.14Å; Y899-L901 HydrophobicContact CD1-CD2 3.8Å; Y899-L901 HydrophobicContact CE1-CD2 3.98Å; L901-F930 HydrophobicContact CD1-CD1 3.49Å; L901-F930 VanDerWaalsContact CD1-CD1 3.49Å; L901-F930 HydrophobicContact CD1-CE1 3.77Å; L901-L939 HydrophobicContact CB-CB 4.28Å; L901-L939 HydrophobicContact CB-CD2 4.06Å; L901-L939 HydrophobicContact CB-CG 4.15Å; L901-L939 WeakPolarHBondContact CB-O 3.31Å; L901-L939 HydrophobicContact CD1-CD2 4.24Å; L901-L939 HydrophobicContact CD1-CG 4.22Å; L901-L939 PolarHBondContact N-O 2.88Å; L901-L941 HydrophobicContact CD1-CD2 4.32Å; L901-L941 HydrophobicContact CD1-CG 4.19Å; L901-L941 HydrophobicContact CD2-CG 4.33Å; L901-L941 HydrophobicContact CG-CG 4.46Å |
| 902 | A | 85 | Confident | 77.8 | Confident | 27 Ų | 27 | 78.8 Ų | 78.8 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 166.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L888 L939 | L888-A902 HydrophobicContact CD1-CB 4.33Å; A902-L939 HydrophobicContact CB-CB 4.41Å; A902-L939 HydrophobicContact CB-CD2 4.44Å; A902-L939 PolarHBondContact N-O 3.21Å; A902-L939 PolarHBondContact O-N 3.12Å |
| 903 | Y | 89.5 | Confident | 79.1 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126 | 164.1 | -81.4 | -87 | 0 | 0 | 0 | 109.2 | S880 S936 L938 | S880-Y903 PolarHBondContact OG-O 2.79Å; Y903-S936 WeakPolarHBondContact CD1-O 3.01Å; Y903-L938 HydrophobicContact CD1-CB 4.21Å; Y903-L938 HydrophobicContact CD2-CD1 4.41Å; Y903-L938 HydrophobicContact CE1-CB 3.76Å; Y903-L938 HydrophobicContact CE1-CD1 4.16Å; Y903-L938 HydrophobicContact CE1-CG 4.41Å; Y903-L938 HydrophobicContact CE2-CD1 3.95Å |
| 904 | I | 90.4 | Very high | 80.7 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | trans | -90.6 | 135.8 | 172.1 | -48.7 | -52.5 | 0 | 0 | 0 | 107.6 | F878 S880 Y919 L932 G937 L987 L1006 | F878-I904 HydrophobicContact CD1-CG2 4.13Å; F878-I904 HydrophobicContact CE1-CG2 3.66Å; S880-I904 CarbonylContact O-C 3.52Å; S880-I904 WeakPolarHBondContact O-CA 3.15Å; I904-Y919 HydrophobicContact CG2-CD1 3.88Å; I904-Y919 HydrophobicContact CG2-CE1 4.21Å; I904-L932 HydrophobicContact CB-CD1 4.36Å; I904-L932 HydrophobicContact CG1-CD1 3.66Å; I904-G937 WeakPolarHBondContact CB-O 3.3Å; I904-G937 WeakPolarHBondContact CG1-O 3.37Å; I904-G937 PolarHBondContact N-O 2.9Å; I904-L987 HydrophobicContact CD1-CD1 3.5Å; I904-L987 HydrophobicContact CG1-CD1 3.88Å; I904-L987 HydrophobicContact CG2-CD1 3.94Å; I904-L1006 HydrophobicContact CD1-CD2 4Å | ||
| 905 | Q | 90.7 | Very high | 82.7 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137.5 | -177.4 | -177.8 | -178.9 | -18 | 0 | 0 | 110.4 | V879 S880 E907 Y919 | V879-Q905 HydrophobicContact CB-CG 4.29Å; V879-Q905 PolarHBondContact N-O 2.96Å; S880-Q905 PolarHBondContact N-O 3.01Å; S880-Q905 PolarHBondContact O-N 2.83Å; Q905-E907 PolarHBondContact NE2-OE1 3.39Å; Q905-Y919 WeakPolarHBondContact CA-OH 3.15Å |
| 906 | A | 90.9 | Very high | 84.5 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 165.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V877 F878 I917 Y919 A989 | V877-A906 CarbonylContact O-C 3.6Å; V877-A906 WeakPolarHBondContact O-CA 3.29Å; V877-A906 VanDerWaalsContact O-CB 3.3Å; V877-A906 WeakPolarHBondContact O-CB 3.26Å; F878-A906 HydrophobicContact CD1-CB 4.25Å; A906-I917 VanDerWaalsContact C-CD1 3.48Å; A906-I917 HydrophobicContact CB-CD1 4.02Å; A906-I917 HydrophobicContact CB-CG2 4.32Å; A906-I917 WeakPolarHBondContact O-CD1 3.43Å; A906-Y919 HydrophobicContact CB-CE1 4.06Å; A906-Y919 PolarHBondContact N-OH 3.09Å; A906-A989 HydrophobicContact CB-CB 3.88Å |
| 907 | E | 91.6 | Very high | 86.3 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | 179.3 | -74.3 | 169.9 | -168.4 | 0 | 0 | 110.2 | P876 V877 V879 Q905 | P876-E907 CarbonylContact C-O 3.54Å; P876-E907 WeakPolarHBondContact CA-O 3.46Å; V877-E907 PolarHBondContact N-O 3.08Å; V877-E907 PolarHBondContact O-N 3.03Å; V879-E907 HydrophobicContact CG2-CB 4.19Å; V879-E907 HydrophobicContact CG2-CG 3.75Å; Q905-E907 PolarHBondContact NE2-OE1 3.39Å |
| 908 | D | 92.7 | Very high | 87.8 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | trans | -136.9 | 165.6 | 171.7 | -152 | -31.3 | 0 | 0 | 0 | 108.5 | N874 W875 P876 I917 | N874-D908 VanDerWaalsContact CB-OD1 3.3Å; N874-D908 WeakPolarHBondContact CB-OD1 3.4Å; W875-D908 VanDerWaalsContact C-CG 3.45Å; W875-D908 WeakPolarHBondContact CA-OD2 3.19Å; W875-D908 PolarHBondContact N-OD1 3.2Å; P876-D908 WeakPolarHBondContact CD-OD2 3.36Å; P876-D908 WeakPolarHBondContact CG-OD2 3.26Å; D908-I917 HydrophobicContact CB-CD1 4.17Å; D908-I917 HydrophobicContact CB-CG1 4.48Å | ||
| 909 | K | 91.8 | Very high | 88.9 | Confident | 135 Ų | 135 | 58.7 Ų | 58.7 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | trans | -104.7 | -27.6 | -174.9 | -59.6 | -165.3 | -154.1 | 137 | 0 | 115.1 | R821 E822 N874 | R821-K909 PolarHBondContact NH2-O 3.31Å; E822-K909 HydrophobicContact CG-CB 4.28Å; E822-K909 HydrophobicContact CG-CD 4.34Å; N874-K909 HydrophobicContact CB-CB 4.19Å; N874-K909 HydrophobicContact CB-CG 4.47Å; N874-K909 WeakPolarHBondContact OD1-CE 3.49Å; N874-K909 PolarHBondContact OD1-NZ 2.84Å | ||
| 910 | D | 92.2 | Very high | 89.6 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -67.3 | 164.2 | -172 | -54.8 | -11.5 | 0 | 0 | 0 | 111.1 | N872 D873 N874 N914 G915 | N872-D910 VanDerWaalsContact CA-OD2 3.24Å; N872-D910 WeakPolarHBondContact CA-OD2 3.26Å; D873-D910 PolarHBondContact N-OD2 3.05Å; N874-D910 VanDerWaalsContact CB-OD1 3.23Å; N874-D910 WeakPolarHBondContact CB-OD1 2.94Å; N874-D910 PolarHBondContact N-OD1 2.78Å; N874-D910 VanDerWaalsContact N-OD1 3.13Å; N874-D910 PolarHBondContact N-OD2 2.66Å; N874-D910 VanDerWaalsContact N-OD2 3.08Å; N874-D910 PolarHBondContact ND2-OD1 2.68Å; D910-N914 HydrophobicContact CB-CB 3.44Å; D910-N914 VanDerWaalsContact CB-CB 3.44Å; D910-G915 WeakPolarHBondContact O-CA 3.5Å; D910-G915 PolarHBondContact O-N 3.11Å |
| 911 | E | 89.6 | Confident | 89.9 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -88 | 148.8 | -171.3 | -155.1 | 165.8 | 158.3 | 0 | 0 | 113.6 | R821 D870 N913 N914 | R821-E911 IonicContact CZ-OE2 2.75Å; R821-E911 IonicContact NH1-OE2 3.59Å; R821-E911 PolarHBondContact NH1-OE2 2.91Å; D870-E911 HydrophobicContact CB-CB 4.04Å; D870-E911 VanDerWaalsContact OD1-CB 3.31Å; D870-E911 WeakPolarHBondContact OD1-CB 3.41Å; D870-E911 PolarHBondContact OD1-N 2.73Å; D870-E911 PolarHBondContact OD2-N 2.63Å; E911-N913 PolarHBondContact O-N 2.86Å; E911-N913 VanDerWaalsContact O-N 3.17Å; E911-N914 WeakPolarHBondContact O-CB 3.37Å; E911-N914 PolarHBondContact O-N 2.81Å |
| 912 | G | 87.2 | Confident | 90.2 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -120.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N914 G915 T916 | G912-N914 VanDerWaalsContact C-N 3.28Å; G912-N914 PolarHBondContact O-N 2.85Å; G912-G915 PolarHBondContact O-N 3.43Å; G912-T916 WeakPolarHBondContact O-CB 3.17Å; G912-T916 PolarHBondContact O-N 3.36Å; G912-T916 PolarHBondContact O-OG1 2.82Å |
| 913 | N | 86.2 | Confident | 90.3 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.7 | -179.9 | -69.3 | 2.5 | 0 | 0 | 0 | 112.4 | E911 G915 T916 Q992 G993 | E911-N913 PolarHBondContact O-N 2.86Å; E911-N913 VanDerWaalsContact O-N 3.17Å; N913-G915 VanDerWaalsContact C-N 3.27Å; N913-G915 PolarHBondContact O-N 2.68Å; N913-T916 PolarHBondContact O-N 3.07Å; N913-T916 VanDerWaalsContact O-N 3.16Å; N913-Q992 CarbonylContact O-C 3.48Å; N913-Q992 VanDerWaalsContact O-C 3.29Å; N913-Q992 WeakPolarHBondContact O-CA 3.21Å; N913-Q992 PolarHBondContact O-N 3.02Å; N913-G993 PolarHBondContact O-N 3.04Å |
| 914 | N | 88.7 | Confident | 90 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -31.2 | -178.5 | -60.8 | -19.8 | 0 | 0 | 0 | 110.8 | D870 N872 D910 E911 G912 D991 G993 | D870-N914 PolarHBondContact OD2-ND2 3Å; N872-N914 HydrophobicContact CB-CB 3.99Å; N872-N914 PolarHBondContact N-ND2 3.17Å; D910-N914 HydrophobicContact CB-CB 3.44Å; D910-N914 VanDerWaalsContact CB-CB 3.44Å; E911-N914 WeakPolarHBondContact O-CB 3.37Å; E911-N914 PolarHBondContact O-N 2.81Å; G912-N914 VanDerWaalsContact C-N 3.28Å; G912-N914 PolarHBondContact O-N 2.85Å; N914-D991 WeakPolarHBondContact O-CB 3.33Å; N914-G993 WeakPolarHBondContact OD1-CA 3.32Å |
| 915 | G | 88.3 | Confident | 89.8 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D910 G912 N913 | D910-G915 WeakPolarHBondContact O-CA 3.5Å; D910-G915 PolarHBondContact O-N 3.11Å; G912-G915 PolarHBondContact O-N 3.43Å; N913-G915 VanDerWaalsContact C-N 3.27Å; N913-G915 PolarHBondContact O-N 2.68Å |
| 916 | T | 90.1 | Very high | 89 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | trans | -91 | 114.6 | -173.1 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | G912 N913 D991 Q992 | G912-T916 WeakPolarHBondContact O-CB 3.17Å; G912-T916 PolarHBondContact O-N 3.36Å; G912-T916 PolarHBondContact O-OG1 2.82Å; N913-T916 PolarHBondContact O-N 3.07Å; N913-T916 VanDerWaalsContact O-N 3.16Å; T916-D991 CarbonylContact O-C 3.54Å; T916-D991 VanDerWaalsContact O-C 3.3Å; T916-D991 VanDerWaalsContact O-CA 3.29Å; T916-D991 WeakPolarHBondContact O-CA 2.99Å; T916-Q992 HydrophobicContact CG2-CG 4.22Å; T916-Q992 WeakPolarHBondContact O-CG 3.07Å; T916-Q992 PolarHBondContact O-N 3.12Å | ||
| 917 | I | 91.3 | Very high | 87.8 | Confident | 28 Ų | 28 | 63 Ų | 63 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | trans | -97.2 | 146.4 | -170.5 | -61.3 | 167.8 | 0 | 0 | 0 | 113.3 | P876 A906 D908 Y919 A989 C990 | P876-I917 HydrophobicContact CB-CD1 4.14Å; P876-I917 HydrophobicContact CB-CG1 4.24Å; P876-I917 HydrophobicContact CG-CG1 4.4Å; A906-I917 VanDerWaalsContact C-CD1 3.48Å; A906-I917 HydrophobicContact CB-CD1 4.02Å; A906-I917 HydrophobicContact CB-CG2 4.32Å; A906-I917 WeakPolarHBondContact O-CD1 3.43Å; D908-I917 HydrophobicContact CB-CD1 4.17Å; D908-I917 HydrophobicContact CB-CG1 4.48Å; I917-Y919 HydrophobicContact CG2-CD1 4.44Å; I917-Y919 HydrophobicContact CG2-CE1 3.87Å; I917-Y919 HydrophobicContact CG2-CE2 4.26Å; I917-A989 HydrophobicContact CG2-CB 4.08Å; I917-C990 CarbonylContact C-O 3.6Å; I917-C990 VanDerWaalsContact CA-O 3.3Å; I917-C990 WeakPolarHBondContact CA-O 3.49Å | ||
| 918 | T | 92.2 | Very high | 87.1 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.3 | 172.6 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | A989 C990 Q992 | T918-A989 VanDerWaalsContact O-CA 3.28Å; T918-A989 WeakPolarHBondContact O-CA 3.49Å; T918-C990 PolarHBondContact N-O 2.85Å; T918-C990 PolarHBondContact O-N 2.76Å; T918-C990 PolarHBondContact OG1-O 2.93Å; T918-Q992 HydrophobicContact CG2-CG 4.07Å |
| 919 | Y | 93.4 | Very high | 86.4 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.7 | -174.3 | -53.4 | -82.3 | 0 | 0 | 0 | 114.1 | F878 I904 Q905 A906 I917 S934 E988 A989 | F878-Y919 HydrophobicContact CE1-CD1 4.48Å; I904-Y919 HydrophobicContact CG2-CD1 3.88Å; I904-Y919 HydrophobicContact CG2-CE1 4.21Å; Q905-Y919 WeakPolarHBondContact CA-OH 3.15Å; A906-Y919 HydrophobicContact CB-CE1 4.06Å; A906-Y919 PolarHBondContact N-OH 3.09Å; I917-Y919 HydrophobicContact CG2-CD1 4.44Å; I917-Y919 HydrophobicContact CG2-CE1 3.87Å; I917-Y919 HydrophobicContact CG2-CE2 4.26Å; Y919-S934 PolarHBondContact N-O 2.78Å; Y919-S934 WeakPolarHBondContact O-CA 3.28Å; Y919-S934 WeakPolarHBondContact O-CB 3.4Å; Y919-E988 WeakPolarHBondContact CA-O 3.17Å; Y919-A989 HydrophobicContact CD1-CB 4Å; Y919-A989 HydrophobicContact CE1-CB 4.07Å |
| 920 | N | 91.6 | Very high | 86.3 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.8 | 176.7 | -81.4 | -36.3 | 0 | 0 | 0 | 113 | L987 E988 | N920-L987 VanDerWaalsContact O-CA 3.3Å; N920-L987 WeakPolarHBondContact O-CA 3.32Å; N920-E988 HydrophobicContact CB-CB 4.12Å; N920-E988 WeakPolarHBondContact CB-OE2 3.37Å; N920-E988 PolarHBondContact N-O 2.89Å; N920-E988 PolarHBondContact ND2-OE2 2.86Å; N920-E988 PolarHBondContact O-N 3.07Å |
| 921 | I | 91.6 | Very high | 86 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.1 | 160 | -54.5 | 164.4 | 0 | 0 | 0 | 107.9 | N925 F930 L932 L939 L985 T986 L987 | I921-N925 HydrophobicContact CG2-CB 4.19Å; I921-F930 HydrophobicContact CD1-CB 4.41Å; I921-L932 HydrophobicContact CD1-CB 3.61Å; I921-L932 HydrophobicContact CG1-CB 3.65Å; I921-L932 HydrophobicContact CG1-CD2 3.83Å; I921-L932 HydrophobicContact CG1-CG 4.38Å; I921-L939 HydrophobicContact CD1-CD1 3.97Å; I921-L985 HydrophobicContact CD1-CD1 4.29Å; I921-L985 HydrophobicContact CG2-CB 4.33Å; I921-L985 HydrophobicContact CG2-CD1 4.45Å; I921-L985 HydrophobicContact CG2-CD2 4.27Å; I921-T986 CarbonylContact C-O 3.53Å; I921-T986 WeakPolarHBondContact CA-O 3.19Å; I921-L987 HydrophobicContact CB-CD2 4.48Å; I921-L987 HydrophobicContact CG1-CD2 3.89Å |
| 922 | L | 89.7 | Confident | 86.1 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -42.4 | -179.4 | -65.2 | -176.4 | 0 | 0 | 0 | 113.2 | T986 E988 L1002 | L922-T986 HydrophobicContact CB-CG2 4.17Å; L922-T986 HydrophobicContact CD1-CG2 4.32Å; L922-T986 PolarHBondContact N-O 3.05Å; L922-E988 HydrophobicContact CD1-CB 3.96Å; L922-E988 HydrophobicContact CD2-CB 4.33Å; L922-E988 HydrophobicContact CG-CB 3.93Å; L922-L1002 HydrophobicContact CD1-CD2 3.66Å |
| 923 | T | 87.5 | Confident | 86.3 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 165.1 | -175.9 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | L985 T986 | T923-L985 WeakPolarHBondContact O-CA 3.18Å; T923-T986 PolarHBondContact O-N 3.15Å; T923-T986 VanDerWaalsContact OG1-CB 3.25Å; T923-T986 WeakPolarHBondContact OG1-CB 3.14Å; T923-T986 PolarHBondContact OG1-OG1 3.36Å |
| 924 | G | 83.2 | Confident | 86.5 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | trans | 91.3 | -10.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N926 I984 L985 | G924-N926 PolarHBondContact O-N 3.41Å; G924-I984 VanDerWaalsContact CA-O 3.3Å; G924-I984 WeakPolarHBondContact CA-O 3.32Å; G924-L985 VanDerWaalsContact C-CD2 3.41Å | ||
| 925 | N | 86 | Confident | 86.5 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | trans | -77.8 | 56.8 | 179 | -168.8 | 13.4 | 0 | 0 | 0 | 112.6 | I921 Y927 G928 L929 F930 L985 | I921-N925 HydrophobicContact CG2-CB 4.19Å; N925-Y927 PolarHBondContact O-N 3.35Å; N925-G928 PolarHBondContact O-N 3.36Å; N925-G928 VanDerWaalsContact O-N 3.1Å; N925-L929 PolarHBondContact OD1-N 3.35Å; N925-F930 PolarHBondContact ND2-O 2.83Å; N925-F930 PolarHBondContact OD1-N 2.81Å; N925-F930 PolarHBondContact OD1-O 3.46Å; N925-L985 HydrophobicContact CB-CD2 4.25Å | ||
| 926 | N | 72.4 | Confident | 86.5 | Confident | 96 Ų | 96 | 53 Ų | 53 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -59.3 | 136.1 | -177.3 | -65.9 | -12.9 | 0 | 0 | 0 | 110.4 | G924 G928 L929 | G924-N926 PolarHBondContact O-N 3.41Å; N926-G928 PolarHBondContact O-N 3.38Å; N926-G928 VanDerWaalsContact O-N 3.13Å; N926-L929 WeakPolarHBondContact O-CD1 3.48Å; N926-L929 WeakPolarHBondContact O-CG 3.47Å; N926-L929 PolarHBondContact O-N 2.82Å |
| 927 | Y | 67.4 | Low | 86.5 | Confident | 143 Ų | 143 | 50.3 Ų | 50.3 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | 60 | 11.7 | -175.9 | -43 | -80.4 | 0 | 0 | 0 | 115.5 | N925 L929 L967 | N925-Y927 PolarHBondContact O-N 3.35Å; Y927-L929 HydrophobicContact CD2-CD1 4.37Å; Y927-L929 PolarHBondContact O-N 2.99Å; Y927-L967 HydrophobicContact CD1-CD2 4.1Å; Y927-L967 HydrophobicContact CE1-CD2 3.91Å |
| 928 | G | 76.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 50 Ų | 50 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | 64.7 | 28.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N925 N926 F930 S942 | N925-G928 PolarHBondContact O-N 3.36Å; N925-G928 VanDerWaalsContact O-N 3.1Å; N926-G928 PolarHBondContact O-N 3.38Å; N926-G928 VanDerWaalsContact O-N 3.13Å; G928-F930 PolarHBondContact O-N 2.81Å; G928-S942 WeakPolarHBondContact O-CB 3.4Å; G928-S942 PolarHBondContact O-OG 3.16Å |
| 929 | L | 78.5 | Confident | 86.4 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | trans | -61.3 | -28.9 | -177.7 | -77.7 | 165.4 | 0 | 0 | 0 | 113.3 | N925 N926 Y927 L941 S942 H983 | N925-L929 PolarHBondContact OD1-N 3.35Å; N926-L929 WeakPolarHBondContact O-CD1 3.48Å; N926-L929 WeakPolarHBondContact O-CG 3.47Å; N926-L929 PolarHBondContact O-N 2.82Å; Y927-L929 HydrophobicContact CD2-CD1 4.37Å; Y927-L929 PolarHBondContact O-N 2.99Å; L929-L941 WeakPolarHBondContact O-CA 3.12Å; L929-L941 WeakPolarHBondContact O-CD2 3.45Å; L929-S942 PolarHBondContact O-N 3.05Å; L929-H983 WeakPolarHBondContact CD1-CE1 3.42Å | ||
| 930 | F | 87.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 147.8 | -177.8 | -50.8 | -72.2 | 0 | 0 | 0 | 111.2 | L901 I921 N925 G928 L939 Y940 L941 H983 L985 I1008 | L901-F930 HydrophobicContact CD1-CD1 3.49Å; L901-F930 VanDerWaalsContact CD1-CD1 3.49Å; L901-F930 HydrophobicContact CD1-CE1 3.77Å; I921-F930 HydrophobicContact CD1-CB 4.41Å; N925-F930 PolarHBondContact ND2-O 2.83Å; N925-F930 PolarHBondContact OD1-N 2.81Å; N925-F930 PolarHBondContact OD1-O 3.46Å; G928-F930 PolarHBondContact O-N 2.81Å; F930-L939 HydrophobicContact CB-CD1 4.46Å; F930-Y940 CarbonylContact C-O 3.58Å; F930-Y940 VanDerWaalsContact CA-O 3.27Å; F930-Y940 WeakPolarHBondContact CA-O 3.27Å; F930-L941 HydrophobicContact CD1-CD2 3.85Å; F930-L941 HydrophobicContact CE1-CD2 3.68Å; F930-H983 HydrophobicContact CE2-CB 3.7Å; F930-H983 AromaticContact CE2-CG 3.66Å; F930-H983 HydrophobicContact CZ-CB 4.06Å; F930-H983 AromaticContact CZ-CD2 3.87Å; F930-H983 AromaticContact CZ-CG 3.93Å; F930-L985 HydrophobicContact CB-CD1 4.33Å; F930-L985 HydrophobicContact CD2-CD1 4.22Å; F930-L985 HydrophobicContact CD2-CD2 3.92Å; F930-L985 HydrophobicContact CE2-CD2 4.37Å; F930-L985 HydrophobicContact CG-CD1 4.24Å; F930-I1008 HydrophobicContact CD1-CD1 3.87Å; F930-I1008 HydrophobicContact CD2-CD1 4.41Å; F930-I1008 HydrophobicContact CE1-CB 4.44Å; F930-I1008 HydrophobicContact CE1-CD1 3.61Å; F930-I1008 HydrophobicContact CE1-CG2 3.91Å; F930-I1008 HydrophobicContact CE2-CD1 4.18Å; F930-I1008 HydrophobicContact CG-CD1 4.26Å; F930-I1008 HydrophobicContact CZ-CB 4.16Å; F930-I1008 HydrophobicContact CZ-CD1 3.78Å; F930-I1008 HydrophobicContact CZ-CG2 3.95Å |
| 931 | G | 86.5 | Confident | 85.8 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L939 Y940 | G931-L939 CarbonylContact O-C 3.59Å; G931-L939 WeakPolarHBondContact O-CA 3.36Å; G931-Y940 VanDerWaalsContact C-CE1 3.46Å; G931-Y940 PolarHBondContact N-O 2.76Å; G931-Y940 WeakPolarHBondContact O-CD1 3.17Å; G931-Y940 PolarHBondContact O-N 2.89Å |
| 932 | L | 91.8 | Very high | 85 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.7 | 171.4 | -180 | 68.5 | 0 | 0 | 0 | 107.2 | I904 I921 G937 L938 L939 L987 | I904-L932 HydrophobicContact CB-CD1 4.36Å; I904-L932 HydrophobicContact CG1-CD1 3.66Å; I921-L932 HydrophobicContact CD1-CB 3.61Å; I921-L932 HydrophobicContact CG1-CB 3.65Å; I921-L932 HydrophobicContact CG1-CD2 3.83Å; I921-L932 HydrophobicContact CG1-CG 4.38Å; L932-G937 VanDerWaalsContact CD1-O 3.3Å; L932-G937 WeakPolarHBondContact CD1-O 3.38Å; L932-L938 WeakPolarHBondContact CA-O 3.48Å; L932-L939 HydrophobicContact CB-CD1 4.31Å; L932-L939 HydrophobicContact CD1-CB 4.21Å; L932-L939 HydrophobicContact CD1-CD1 4.26Å; L932-L987 HydrophobicContact CD2-CD2 4.35Å |
| 933 | D | 91 | Very high | 83.6 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | trans | -76.4 | 123 | 167.3 | 169.6 | 38.2 | 0 | 0 | 0 | 109.6 | T935 S936 G937 L938 | D933-T935 PolarHBondContact O-N 2.76Å; D933-T935 PolarHBondContact OD1-N 2.92Å; D933-T935 PolarHBondContact OD1-OG1 3.04Å; D933-T935 PolarHBondContact OD2-OG1 2.8Å; D933-S936 WeakPolarHBondContact OD2-CA 3.04Å; D933-S936 WeakPolarHBondContact OD2-CB 3.36Å; D933-S936 PolarHBondContact OD2-N 2.95Å; D933-S936 PolarHBondContact OD2-OG 3.06Å; D933-G937 VanDerWaalsContact O-CA 3.24Å; D933-G937 WeakPolarHBondContact O-CA 3.16Å; D933-G937 PolarHBondContact O-N 2.94Å; D933-L938 HydrophobicContact CB-CB 4.27Å; D933-L938 PolarHBondContact N-O 2.82Å | ||
| 934 | S | 90.4 | Very high | 81.8 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.2 | -173.3 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | Y919 | Y919-S934 PolarHBondContact N-O 2.78Å; Y919-S934 WeakPolarHBondContact O-CA 3.28Å; Y919-S934 WeakPolarHBondContact O-CB 3.4Å |
| 935 | T | 89.6 | Confident | 79.7 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -48.4 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | D933 | D933-T935 PolarHBondContact O-N 2.76Å; D933-T935 PolarHBondContact OD1-N 2.92Å; D933-T935 PolarHBondContact OD1-OG1 3.04Å; D933-T935 PolarHBondContact OD2-OG1 2.8Å |
| 936 | S | 88.9 | Confident | 77.5 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5.5 | 177.3 | 72.7 | 0 | 0 | 0 | 0 | 114.6 | Y903 D933 L938 | Y903-S936 WeakPolarHBondContact CD1-O 3.01Å; D933-S936 WeakPolarHBondContact OD2-CA 3.04Å; D933-S936 WeakPolarHBondContact OD2-CB 3.36Å; D933-S936 PolarHBondContact OD2-N 2.95Å; D933-S936 PolarHBondContact OD2-OG 3.06Å; S936-L938 PolarHBondContact O-N 3.03Å; S936-L938 WeakPolarHBondContact OG-CB 3.44Å |
| 937 | G | 89.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | 66.3 | 16.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I904 L932 D933 L939 | I904-G937 WeakPolarHBondContact CB-O 3.3Å; I904-G937 WeakPolarHBondContact CG1-O 3.37Å; I904-G937 PolarHBondContact N-O 2.9Å; L932-G937 VanDerWaalsContact CD1-O 3.3Å; L932-G937 WeakPolarHBondContact CD1-O 3.38Å; D933-G937 VanDerWaalsContact O-CA 3.24Å; D933-G937 WeakPolarHBondContact O-CA 3.16Å; D933-G937 PolarHBondContact O-N 2.94Å; G937-L939 PolarHBondContact O-N 2.93Å | ||
| 938 | L | 91.5 | Very high | 74.3 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.2 | -178.5 | 172.2 | 59.2 | 0 | 0 | 0 | 111.5 | K900 Y903 L932 D933 S936 Y940 | K900-L938 HydrophobicContact CB-CD1 4.05Å; K900-L938 HydrophobicContact CD-CD1 3.85Å; K900-L938 HydrophobicContact CD-CD2 3.92Å; K900-L938 HydrophobicContact CG-CD1 3.96Å; K900-L938 HydrophobicContact CG-CD2 4.25Å; Y903-L938 HydrophobicContact CD1-CB 4.21Å; Y903-L938 HydrophobicContact CD2-CD1 4.41Å; Y903-L938 HydrophobicContact CE1-CB 3.76Å; Y903-L938 HydrophobicContact CE1-CD1 4.16Å; Y903-L938 HydrophobicContact CE1-CG 4.41Å; Y903-L938 HydrophobicContact CE2-CD1 3.95Å; L932-L938 WeakPolarHBondContact CA-O 3.48Å; D933-L938 HydrophobicContact CB-CB 4.27Å; D933-L938 PolarHBondContact N-O 2.82Å; S936-L938 PolarHBondContact O-N 3.03Å; S936-L938 WeakPolarHBondContact OG-CB 3.44Å; L938-Y940 HydrophobicContact CG-CD1 4.5Å; L938-Y940 WeakPolarHBondContact O-CD1 3.44Å |
| 939 | L | 89.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 136.1 | 171.6 | -168.8 | 76.3 | 0 | 0 | 0 | 110.7 | L901 A902 I921 F930 G931 L932 G937 L985 L1006 I1008 | L901-L939 HydrophobicContact CB-CB 4.28Å; L901-L939 HydrophobicContact CB-CD2 4.06Å; L901-L939 HydrophobicContact CB-CG 4.15Å; L901-L939 WeakPolarHBondContact CB-O 3.31Å; L901-L939 HydrophobicContact CD1-CD2 4.24Å; L901-L939 HydrophobicContact CD1-CG 4.22Å; L901-L939 PolarHBondContact N-O 2.88Å; A902-L939 HydrophobicContact CB-CB 4.41Å; A902-L939 HydrophobicContact CB-CD2 4.44Å; A902-L939 PolarHBondContact N-O 3.21Å; A902-L939 PolarHBondContact O-N 3.12Å; I921-L939 HydrophobicContact CD1-CD1 3.97Å; F930-L939 HydrophobicContact CB-CD1 4.46Å; G931-L939 CarbonylContact O-C 3.59Å; G931-L939 WeakPolarHBondContact O-CA 3.36Å; L932-L939 HydrophobicContact CB-CD1 4.31Å; L932-L939 HydrophobicContact CD1-CB 4.21Å; L932-L939 HydrophobicContact CD1-CD1 4.26Å; G937-L939 PolarHBondContact O-N 2.93Å; L939-L985 HydrophobicContact CD1-CD1 3.92Å; L939-L985 HydrophobicContact CD2-CD1 4.42Å; L939-L1006 HydrophobicContact CD2-CD2 3.84Å; L939-I1008 HydrophobicContact CD2-CD1 4.01Å |
| 940 | Y | 88.2 | Confident | 70.2 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 169.1 | -176.9 | 62.7 | -87 | 0 | 0 | 0 | 113.6 | Y899 F930 G931 L938 | Y899-Y940 CarbonylContact O-C 3.58Å; Y899-Y940 WeakPolarHBondContact O-CA 2.96Å; F930-Y940 CarbonylContact C-O 3.58Å; F930-Y940 VanDerWaalsContact CA-O 3.27Å; F930-Y940 WeakPolarHBondContact CA-O 3.27Å; G931-Y940 VanDerWaalsContact C-CE1 3.46Å; G931-Y940 PolarHBondContact N-O 2.76Å; G931-Y940 WeakPolarHBondContact O-CD1 3.17Å; G931-Y940 PolarHBondContact O-N 2.89Å; L938-Y940 HydrophobicContact CG-CD1 4.5Å; L938-Y940 WeakPolarHBondContact O-CD1 3.44Å |
| 941 | L | 83.4 | Confident | 67.5 | Low | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.1 | 172.9 | -74.7 | 174.2 | 0 | 0 | 0 | 112.5 | G898 Y899 L901 L929 F930 | G898-L941 WeakPolarHBondContact CA-O 3.23Å; G898-L941 PolarHBondContact N-O 2.82Å; Y899-L941 HydrophobicContact CD1-CD1 4.35Å; Y899-L941 PolarHBondContact O-N 2.75Å; L901-L941 HydrophobicContact CD1-CD2 4.32Å; L901-L941 HydrophobicContact CD1-CG 4.19Å; L901-L941 HydrophobicContact CD2-CG 4.33Å; L901-L941 HydrophobicContact CG-CG 4.46Å; L929-L941 WeakPolarHBondContact O-CA 3.12Å; L929-L941 WeakPolarHBondContact O-CD2 3.45Å; F930-L941 HydrophobicContact CD1-CD2 3.85Å; F930-L941 HydrophobicContact CE1-CD2 3.68Å |
| 942 | S | 76 | Confident | 64.9 | Low | 46 Ų | 46 | 86.6 Ų | 86.6 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | trans | -97.3 | 163.1 | -166.3 | 152.2 | 0 | 0 | 0 | 0 | 114.3 | T897 G928 L929 | T897-S942 VanDerWaalsContact CG2-C 3.42Å; T897-S942 WeakPolarHBondContact CG2-O 3.18Å; G928-S942 WeakPolarHBondContact O-CB 3.4Å; G928-S942 PolarHBondContact O-OG 3.16Å; L929-S942 PolarHBondContact O-N 3.05Å | ||
| 943 | N | 59.9 | Low | 62.2 | Low | 109 Ų | 109 | 92.1 Ų | 92.1 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | trans | -120.8 | 131.6 | -168.7 | -162.4 | 71.5 | 0 | 0 | 0 | 112.4 | T897 F945 | T897-N943 WeakPolarHBondContact CB-OD1 3.29Å; T897-N943 HydrophobicContact CG2-CB 3.57Å; T897-N943 WeakPolarHBondContact CG2-OD1 2.96Å; T897-N943 PolarHBondContact OG1-OD1 2.63Å; T897-N943 VanDerWaalsContact OG1-OD1 3.08Å; N943-F945 PolarHBondContact O-N 2.68Å | ||
| 944 | P | 50.1 | Low | 59.4 | Low | 55 Ų | 55 | 97.3 Ų | 97.3 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | trans | -76.6 | 121.5 | -177.3 | 29.4 | -33.4 | 0 | 0 | 0 | 112.9 | F973 | P944-F973 HydrophobicContact CG-CE1 4.33Å; P944-F973 HydrophobicContact CG-CZ 4.19Å | ||
| 945 | F | 39.3 | Very low | 56.8 | Low | 200 Ų | 200 | 102.8 Ų | 102.8 | 88% | 0.877 | 55% | 0.549 | S | S | * | . | trans | 40.8 | 122.2 | 156.9 | -57 | -82.3 | 0 | 0 | 0 | 120.4 | N943 | N943-F945 PolarHBondContact O-N 2.68Š| ||
| 946 | S | 39.6 | Very low | 54 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | 171.2 | 118.5 | 96.8 | -174.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 947 | D | 35.9 | Very low | 51.4 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | 57.4 | 93.3 | 137.1 | -59.1 | -76 | 0 | 0 | 0 | 123.9 | ||||
| 948 | N | 35.4 | Very low | 48.6 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | 66.9 | 152.4 | 95 | -68.9 | -38.7 | 0 | 0 | 0 | 122.6 | |||||
| 949 | N | 35.7 | Very low | 45.7 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | trans | 77.7 | 130.3 | 159.2 | -56.7 | -46.5 | 0 | 0 | 0 | 116.8 | ||||
| 950 | K | 34.8 | Very low | 42.9 | Very low | 208 Ų | 208 | 132.4 Ų | 132.4 | 90% | 0.904 | 68% | 0.68 | S | S | * | * | cis | -133.6 | 137.6 | 27.6 | -70.4 | 176.7 | 176.3 | 180 | 0 | 114.6 | ||||
| 951 | L | 30.9 | Very low | 40.1 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 89% | 0.885 | 70% | 0.695 | S | S | * | * | trans | -135.8 | 132.9 | 162.9 | 175.9 | 77.4 | 0 | 0 | 0 | 106.8 | ||||
| 952 | S | 31.7 | Very low | 37.7 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | -170.3 | 106.2 | 163.7 | 56.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 953 | D | 35.2 | Very low | 35.4 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -156.7 | 142.3 | 130.3 | -120.8 | -11.7 | 0 | 0 | 0 | 112.5 | ||||
| 954 | H | 32.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 0.1 | 112.3 | 175 | -61.9 | -70.7 | 0 | 0 | 0 | 121.8 | ||||
| 955 | N | 34.2 | Very low | 33.1 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | -163.8 | 130.8 | 127.3 | -96 | -31.9 | 0 | 0 | 0 | 109 | |||||
| 956 | N | 31.7 | Very low | 32.8 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -165.9 | 121.9 | -172.2 | -161.6 | 22.8 | 0 | 0 | 0 | 113.2 | ||||
| 957 | E | 34.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 179.7 | 102.8 | 149.1 | -111.6 | -177.6 | -153.7 | 0 | 0 | 111.9 | ||||
| 958 | L | 30.4 | Very low | 33 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | 170.1 | 144.5 | 109 | -117.8 | 65.7 | 0 | 0 | 0 | 114 | |||||
| 959 | Y | 30.3 | Very low | 33.2 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 62.4 | 89.7 | 163.2 | -78.6 | -85.1 | 0 | 0 | 0 | 123.5 | ||||
| 960 | D | 31.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | 81 | 178.9 | 111.8 | -147.6 | -0.5 | 0 | 0 | 0 | 119.9 | |||||
| 961 | S | 28.6 | Very low | 34.3 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | -142.5 | 156.3 | -135.7 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 962 | S | 33.1 | Very low | 35 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | 171.7 | 151.6 | 125 | 48.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 963 | N | 28.7 | Very low | 35.8 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | 63.2 | 81.2 | 142.7 | -64.6 | -6.5 | 0 | 0 | 0 | 123.1 | ||||
| 964 | T | 29.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | 57.5 | 116.8 | 108.1 | 60.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 965 | S | 31.6 | Very low | 37.3 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | 90 | 145.5 | 117.5 | 77.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 966 | N | 34.4 | Very low | 38.2 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | 68 | 97.3 | 152.9 | -56 | -23.2 | 0 | 0 | 0 | 119.5 | ||||
| 967 | L | 38.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 118.5 Ų | 118.5 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | trans | -153.6 | 162.6 | 154 | -97.5 | 143.1 | 0 | 0 | 0 | 108.1 | Y927 | Y927-L967 HydrophobicContact CD1-CD2 4.1Å; Y927-L967 HydrophobicContact CE1-CD2 3.91Å | ||
| 968 | P | 39.6 | Very low | 40 | Very low | 83 Ų | 83 | 117.3 Ų | 117.3 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | -104.6 | 174.6 | -128.5 | -3.6 | 26.8 | 0 | 0 | 0 | 116 | E972 | P968-E972 WeakPolarHBondContact CB-OE2 3.5Å; P968-E972 WeakPolarHBondContact CG-OE2 3.49Å | |||
| 969 | T | 41.2 | Very low | 41.2 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | trans | -72.4 | 153 | 179.3 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | D971 E972 | T969-D971 VanDerWaalsContact C-N 3.26Å; T969-D971 PolarHBondContact O-N 3.4Å; T969-E972 PolarHBondContact O-N 2.77Å | ||
| 970 | N | 44.4 | Very low | 42.7 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 66% | 0.663 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.1 | -33.7 | -168.7 | -88.1 | -19.3 | 0 | 0 | 0 | 118.4 | E972 F973 | N970-E972 VanDerWaalsContact C-N 3.28Å; N970-E972 PolarHBondContact O-N 3.29Å; N970-F973 WeakPolarHBondContact O-CB 3.44Å; N970-F973 PolarHBondContact O-N 3.24Å; N970-F973 VanDerWaalsContact O-N 3.1Å |
| 971 | D | 48.6 | Very low | 44.5 | Very low | 143 Ų | 143 | 108 Ų | 108 | 77% | 0.765 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -28.8 | -174.4 | -65.4 | -40.7 | 0 | 0 | 0 | 113.3 | T969 | T969-D971 VanDerWaalsContact C-N 3.26Å; T969-D971 PolarHBondContact O-N 3.4Å |
| 972 | E | 44.9 | Very low | 46.9 | Very low | 126 Ų | 126 | 108.4 Ų | 108.4 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.8 | -29.7 | 173.6 | -67.3 | -163.4 | 126 | 0 | 0 | 112.7 | P968 T969 N970 N974 G975 L976 | P968-E972 WeakPolarHBondContact CB-OE2 3.5Å; P968-E972 WeakPolarHBondContact CG-OE2 3.49Å; T969-E972 PolarHBondContact O-N 2.77Å; N970-E972 VanDerWaalsContact C-N 3.28Å; N970-E972 PolarHBondContact O-N 3.29Å; E972-N974 PolarHBondContact O-N 3.1Å; E972-G975 PolarHBondContact O-N 3.39Å; E972-G975 VanDerWaalsContact O-N 3.1Å; E972-L976 PolarHBondContact O-N 2.94Å |
| 973 | F | 49.1 | Very low | 49.2 | Very low | 74 Ų | 74 | 104.7 Ų | 104.7 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | -175.2 | -160.4 | -94.6 | 0 | 0 | 0 | 111.9 | P944 N970 G975 L976 L977 | P944-F973 HydrophobicContact CG-CE1 4.33Å; P944-F973 HydrophobicContact CG-CZ 4.19Å; N970-F973 WeakPolarHBondContact O-CB 3.44Å; N970-F973 PolarHBondContact O-N 3.24Å; N970-F973 VanDerWaalsContact O-N 3.1Å; F973-G975 PolarHBondContact O-N 2.84Å; F973-L976 PolarHBondContact O-N 2.97Å; F973-L977 HydrophobicContact CD1-CD1 4.42Å; F973-L977 HydrophobicContact CE1-CD1 4.25Å |
| 974 | N | 49.3 | Very low | 52 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.9 | -25.2 | 174.3 | -73.6 | -45.5 | 0 | 0 | 0 | 113.1 | E972 H978 | E972-N974 PolarHBondContact O-N 3.1Å; N974-H978 PolarHBondContact O-CD2 2.84Å |
| 975 | G | 50 | Low | 54.8 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.9 | -27.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E972 F973 | E972-G975 PolarHBondContact O-N 3.39Å; E972-G975 VanDerWaalsContact O-N 3.1Å; F973-G975 PolarHBondContact O-N 2.84Å |
| 976 | L | 53.4 | Low | 57.7 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79.7 | -38.1 | -176.2 | -72.6 | 165.8 | 0 | 0 | 0 | 112.8 | E972 F973 H978 K979 | E972-L976 PolarHBondContact O-N 2.94Å; F973-L976 PolarHBondContact O-N 2.97Å; L976-H978 PolarHBondContact O-N 2.85Å; L976-H978 VanDerWaalsContact O-N 3.13Å; L976-K979 PolarHBondContact O-N 3.37Å |
| 977 | L | 54.8 | Low | 60.4 | Low | 93 Ų | 93 | 86.3 Ų | 86.3 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | -179.5 | -85.9 | 159.1 | 0 | 0 | 0 | 114.6 | L892 F973 | L892-L977 HydrophobicContact CD1-CD2 4.21Å; F973-L977 HydrophobicContact CD1-CD1 4.42Å; F973-L977 HydrophobicContact CE1-CD1 4.25Å |
| 978 | H | 49.8 | Very low | 63 | Low | 151 Ų | 151 | 81.1 Ų | 81.1 | 70% | 0.699 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.7 | 178.8 | -73.8 | -55.6 | 0 | 0 | 0 | 115 | N974 L976 | N974-H978 PolarHBondContact O-CD2 2.84Å; L976-H978 PolarHBondContact O-N 2.85Å; L976-H978 VanDerWaalsContact O-N 3.13Å |
| 979 | K | 55.1 | Low | 65.5 | Low | 161 Ų | 161 | 77.2 Ų | 77.2 | 70% | 0.7 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -114.9 | 140.5 | 175.2 | -80.2 | -179.5 | 176.6 | 172.9 | 0 | 112.9 | L976 | L976-K979 PolarHBondContact O-N 3.37Š|
| 980 | S | 61.3 | Low | 68 | Low | 76 Ų | 76 | 72.3 Ų | 72.3 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | trans | -60.3 | 138 | 165.1 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | I1010 | S980-I1010 CarbonylContact C-O 3.55Å; S980-I1010 WeakPolarHBondContact CA-O 3.36Å; S980-I1010 VanDerWaalsContact CB-O 3.26Å; S980-I1010 WeakPolarHBondContact CB-O 3.33Å | ||
| 981 | S | 70.2 | Confident | 70.2 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 165.5 | -177.5 | 61 | 0 | 0 | 0 | 0 | 112.4 | H983 I1010 | S981-H983 VanDerWaalsContact CB-NE2 3.27Å; S981-H983 WeakPolarHBondContact CB-NE2 3.33Å; S981-H983 PolarHBondContact OG-NE2 3.15Å; S981-I1010 PolarHBondContact N-O 2.73Å; S981-I1010 PolarHBondContact O-N 3.48Å |
| 982 | I | 78.1 | Confident | 72 | Confident | 102 Ų | 102 | 64 Ų | 64 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 133.9 | 175 | -58.3 | 180 | 0 | 0 | 0 | 108.2 | K1007 I1008 M1009 | I982-K1007 HydrophobicContact CG2-CD 4.5Å; I982-K1007 HydrophobicContact CG2-CG 3.95Å; I982-I1008 CarbonylContact C-O 3.54Å; I982-I1008 WeakPolarHBondContact CA-O 3.32Å; I982-M1009 HydrophobicContact CD1-CG 4.41Å; I982-M1009 HydrophobicContact CD1-SD 4.41Å; I982-M1009 HydrophobicContact CG1-CB 4.46Å; I982-M1009 HydrophobicContact CG1-CG 4.15Å; I982-M1009 HydrophobicContact CG2-CG 4.33Å |
| 983 | H | 81 | Confident | 73.5 | Confident | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.5 | 174.6 | -54.6 | -91.8 | 0 | 0 | 0 | 108.7 | L929 F930 S981 K1007 I1008 | L929-H983 WeakPolarHBondContact CD1-CE1 3.42Å; F930-H983 HydrophobicContact CE2-CB 3.7Å; F930-H983 AromaticContact CE2-CG 3.66Å; F930-H983 HydrophobicContact CZ-CB 4.06Å; F930-H983 AromaticContact CZ-CD2 3.87Å; F930-H983 AromaticContact CZ-CG 3.93Å; S981-H983 VanDerWaalsContact CB-NE2 3.27Å; S981-H983 WeakPolarHBondContact CB-NE2 3.33Å; S981-H983 PolarHBondContact OG-NE2 3.15Å; H983-K1007 CarbonylContact O-C 3.58Å; H983-K1007 WeakPolarHBondContact O-CA 3.41Å; H983-I1008 PolarHBondContact N-O 3.1Å; H983-I1008 PolarHBondContact O-N 2.58Å |
| 984 | I | 86.9 | Confident | 74.2 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 112.4 | 177 | -55.4 | 176.7 | 0 | 0 | 0 | 107.1 | G924 L1006 K1007 | G924-I984 VanDerWaalsContact CA-O 3.3Å; G924-I984 WeakPolarHBondContact CA-O 3.32Å; I984-L1006 CarbonylContact C-O 3.59Å; I984-L1006 WeakPolarHBondContact CA-O 3.49Å; I984-K1007 HydrophobicContact CG1-CB 4.48Å; I984-K1007 HydrophobicContact CG1-CG 4.33Å |
| 985 | L | 89.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.1 | -178.3 | -54.9 | -173.6 | 0 | 0 | 0 | 111.3 | I921 T923 G924 N925 F930 L939 L987 L1006 I1008 | I921-L985 HydrophobicContact CD1-CD1 4.29Å; I921-L985 HydrophobicContact CG2-CB 4.33Å; I921-L985 HydrophobicContact CG2-CD1 4.45Å; I921-L985 HydrophobicContact CG2-CD2 4.27Å; T923-L985 WeakPolarHBondContact O-CA 3.18Å; G924-L985 VanDerWaalsContact C-CD2 3.41Å; N925-L985 HydrophobicContact CB-CD2 4.25Å; F930-L985 HydrophobicContact CB-CD1 4.33Å; F930-L985 HydrophobicContact CD2-CD1 4.22Å; F930-L985 HydrophobicContact CD2-CD2 3.92Å; F930-L985 HydrophobicContact CE2-CD2 4.37Å; F930-L985 HydrophobicContact CG-CD1 4.24Å; L939-L985 HydrophobicContact CD1-CD1 3.92Å; L939-L985 HydrophobicContact CD2-CD1 4.42Å; L985-L987 HydrophobicContact CB-CD2 4.3Å; L985-L1006 HydrophobicContact CB-CB 4.33Å; L985-L1006 PolarHBondContact N-O 3.13Å; L985-L1006 PolarHBondContact O-N 3.13Å; L985-I1008 HydrophobicContact CD1-CD1 3.69Å; L985-I1008 HydrophobicContact CG-CD1 4.05Å |
| 986 | T | 91.1 | Very high | 75.4 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.3 | 161.2 | -60.2 | 0 | 0 | 0 | 0 | 108.7 | I921 L922 T923 Y1003 N1004 | I921-T986 CarbonylContact C-O 3.53Å; I921-T986 WeakPolarHBondContact CA-O 3.19Å; L922-T986 HydrophobicContact CB-CG2 4.17Å; L922-T986 HydrophobicContact CD1-CG2 4.32Å; L922-T986 PolarHBondContact N-O 3.05Å; T923-T986 PolarHBondContact O-N 3.15Å; T923-T986 VanDerWaalsContact OG1-CB 3.25Å; T923-T986 WeakPolarHBondContact OG1-CB 3.14Å; T923-T986 PolarHBondContact OG1-OG1 3.36Å; T986-Y1003 WeakPolarHBondContact CA-O 3.26Å; T986-N1004 VanDerWaalsContact CG2-OD1 3.31Å; T986-N1004 WeakPolarHBondContact CG2-OD1 3.31Å |
| 987 | L | 91.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 158 | 177.3 | -48.9 | 175.4 | 0 | 0 | 0 | 110.8 | F878 I904 N920 I921 L932 L985 L1002 Y1003 L1006 | F878-L987 HydrophobicContact CZ-CB 4.24Å; I904-L987 HydrophobicContact CD1-CD1 3.5Å; I904-L987 HydrophobicContact CG1-CD1 3.88Å; I904-L987 HydrophobicContact CG2-CD1 3.94Å; N920-L987 VanDerWaalsContact O-CA 3.3Å; N920-L987 WeakPolarHBondContact O-CA 3.32Å; I921-L987 HydrophobicContact CB-CD2 4.48Å; I921-L987 HydrophobicContact CG1-CD2 3.89Å; L932-L987 HydrophobicContact CD2-CD2 4.35Å; L985-L987 HydrophobicContact CB-CD2 4.3Å; L987-L1002 WeakPolarHBondContact O-CA 3.44Å; L987-Y1003 PolarHBondContact N-O 3.31Å; L987-Y1003 PolarHBondContact O-N 3.42Å; L987-L1006 HydrophobicContact CD1-CB 4.4Å; L987-L1006 HydrophobicContact CD1-CD2 3.84Å |
| 988 | E | 93.5 | Very high | 77.3 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.2 | 177 | 168.6 | -179.4 | -97 | 0 | 0 | 108.9 | Y919 N920 L922 C990 T1001 L1002 | Y919-E988 WeakPolarHBondContact CA-O 3.17Å; N920-E988 HydrophobicContact CB-CB 4.12Å; N920-E988 WeakPolarHBondContact CB-OE2 3.37Å; N920-E988 PolarHBondContact N-O 2.89Å; N920-E988 PolarHBondContact ND2-OE2 2.86Å; N920-E988 PolarHBondContact O-N 3.07Å; L922-E988 HydrophobicContact CD1-CB 3.96Å; L922-E988 HydrophobicContact CD2-CB 4.33Å; L922-E988 HydrophobicContact CG-CB 3.93Å; E988-C990 VanDerWaalsContact CG-SG 3.58Å; E988-T1001 WeakPolarHBondContact CA-O 3.32Å; E988-L1002 HydrophobicContact CB-CD2 3.62Å; E988-L1002 HydrophobicContact CG-CD2 3.84Å |
| 989 | A | 92.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 118.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | F878 A906 I917 T918 Y919 C1000 T1001 | F878-A989 HydrophobicContact CD1-CB 4.42Å; F878-A989 HydrophobicContact CE1-CB 3.74Å; F878-A989 HydrophobicContact CE2-CB 3.95Å; F878-A989 HydrophobicContact CZ-CB 3.48Å; F878-A989 VanDerWaalsContact CZ-CB 3.48Å; A906-A989 HydrophobicContact CB-CB 3.88Å; I917-A989 HydrophobicContact CG2-CB 4.08Å; T918-A989 VanDerWaalsContact O-CA 3.28Å; T918-A989 WeakPolarHBondContact O-CA 3.49Å; Y919-A989 HydrophobicContact CD1-CB 4Å; Y919-A989 HydrophobicContact CE1-CB 4.07Å; A989-C1000 WeakPolarHBondContact O-CA 3.46Å; A989-T1001 PolarHBondContact N-O 2.85Å; A989-T1001 PolarHBondContact O-N 3.27Å |
| 990 | C | 92.3 | Very high | 80.7 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.5 | -178.5 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | I917 T918 E988 R999 C1000 | I917-C990 CarbonylContact C-O 3.6Å; I917-C990 VanDerWaalsContact CA-O 3.3Å; I917-C990 WeakPolarHBondContact CA-O 3.49Å; T918-C990 PolarHBondContact N-O 2.85Å; T918-C990 PolarHBondContact O-N 2.76Å; T918-C990 PolarHBondContact OG1-O 2.93Å; E988-C990 VanDerWaalsContact CG-SG 3.58Å; C990-R999 VanDerWaalsContact CA-O 3.29Å; C990-R999 WeakPolarHBondContact CA-O 3.4Å; C990-C1000 HydrophobicContact CB-CB 4.11Å; C990-C1000 WeakPolarHBondContact CB-SG 3.35Å; C990-C1000 WeakPolarHBondContact SG-CB 3.25Å; C990-C1000 CovalentContact SG-SG 2.04Å; C990-C1000 PolarHBondContact SG-SG 2.78Å |
| 991 | D | 91.1 | Very high | 82.1 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | trans | -71.1 | 178.4 | 165.7 | 74 | 50.3 | 0 | 0 | 0 | 112.1 | N872 P876 N914 T916 G993 P998 R999 | N872-D991 PolarHBondContact ND2-OD2 2.73Å; P876-D991 HydrophobicContact CG-CB 3.95Å; N914-D991 WeakPolarHBondContact O-CB 3.33Å; T916-D991 CarbonylContact O-C 3.54Å; T916-D991 VanDerWaalsContact O-C 3.3Å; T916-D991 VanDerWaalsContact O-CA 3.29Å; T916-D991 WeakPolarHBondContact O-CA 2.99Å; D991-G993 WeakPolarHBondContact OD1-CA 3.02Å; D991-G993 PolarHBondContact OD1-N 3.48Å; D991-P998 WeakPolarHBondContact OD1-CA 3.35Å; D991-P998 WeakPolarHBondContact OD1-CB 3.42Å; D991-R999 VanDerWaalsContact CG-N 3.29Å; D991-R999 PolarHBondContact N-O 3.05Å; D991-R999 PolarHBondContact OD1-N 3.47Å; D991-R999 WeakPolarHBondContact OD2-CA 3.34Å; D991-R999 VanDerWaalsContact OD2-CB 3.23Å; D991-R999 WeakPolarHBondContact OD2-CB 3.44Å; D991-R999 PolarHBondContact OD2-N 2.68Å | ||
| 992 | Q | 85.9 | Confident | 83.1 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | trans | -115.6 | 21.4 | 174 | -67.3 | -173.2 | 22.1 | 0 | 0 | 113 | N913 T916 T918 | N913-Q992 CarbonylContact O-C 3.48Å; N913-Q992 VanDerWaalsContact O-C 3.29Å; N913-Q992 WeakPolarHBondContact O-CA 3.21Å; N913-Q992 PolarHBondContact O-N 3.02Å; T916-Q992 HydrophobicContact CG2-CG 4.22Å; T916-Q992 WeakPolarHBondContact O-CG 3.07Å; T916-Q992 PolarHBondContact O-N 3.12Å; T918-Q992 HydrophobicContact CG2-CG 4.07Å | ||
| 993 | G | 76.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -61.9 | 146.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N913 N914 D991 P998 | N913-G993 PolarHBondContact O-N 3.04Å; N914-G993 WeakPolarHBondContact OD1-CA 3.32Å; D991-G993 WeakPolarHBondContact OD1-CA 3.02Å; D991-G993 PolarHBondContact OD1-N 3.48Å; G993-P998 WeakPolarHBondContact O-CD 3.44Å | ||
| 994 | Q | 64.9 | Low | 83.8 | Confident | 170 Ų | 170 | 56.9 Ų | 56.9 | 79% | 0.794 | 29% | 0.293 | S | S | * | . | trans | -125.1 | 95.9 | 179.2 | -69.1 | -166.2 | 2.4 | 0 | 0 | 111.5 | ||||
| 995 | D | 61.7 | Low | 83.6 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 75% | 0.754 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 69 | 108.3 | -176.7 | -105.9 | -24.9 | 0 | 0 | 0 | 115.3 | ||
| 996 | P | 62 | Low | 83.5 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -59.8 | 160.8 | -3 | 25.9 | -34.8 | 0 | 0 | 0 | 113.2 | N872 | N872-P996 HydrophobicContact CB-CG 4.04Å; N872-P996 WeakPolarHBondContact O-CG 3.32Å |
| 997 | K | 68.8 | Low | 83.2 | Confident | 173 Ų | 173 | 59.9 Ų | 59.9 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 147.9 | -174.7 | -70.7 | -176.2 | 177.8 | -176.5 | 0 | 112.3 | R999 | K997-R999 PolarHBondContact O-N 3.4Š|
| 998 | P | 80 | Confident | 82.8 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 136.2 | -177 | 25 | -34.3 | 0 | 0 | 0 | 111.4 | D991 G993 | D991-P998 WeakPolarHBondContact OD1-CA 3.35Å; D991-P998 WeakPolarHBondContact OD1-CB 3.42Å; G993-P998 WeakPolarHBondContact O-CD 3.44Å |
| 999 | R | 86.7 | Confident | 82.1 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 138.9 | -170.2 | -53.8 | 175.5 | -179.7 | -160.6 | 11.9 | 109.6 | N872 D873 N874 W875 C990 D991 K997 | N872-R999 PolarHBondContact O-NH2 2.92Å; N872-R999 VanDerWaalsContact OD1-CD 3.29Å; N872-R999 WeakPolarHBondContact OD1-CD 3.31Å; N872-R999 PolarHBondContact OD1-NE 2.82Å; D873-R999 VanDerWaalsContact C-NH1 3.32Å; D873-R999 PolarHBondContact O-NH1 3.25Å; D873-R999 PolarHBondContact O-NH2 2.75Å; N874-R999 WeakPolarHBondContact O-CD 3.38Å; N874-R999 VanDerWaalsContact O-CZ 3.25Å; N874-R999 PolarHBondContact O-NE 3.05Å; N874-R999 PolarHBondContact O-NH1 3.33Å; W875-R999 HydrophobicContact CD2-CB 3.88Å; W875-R999 HydrophobicContact CD2-CG 4.35Å; W875-R999 HydrophobicContact CE3-CB 3.84Å; W875-R999 HydrophobicContact CG-CB 4.31Å; W875-R999 HydrophobicContact CZ3-CB 4.23Å; C990-R999 VanDerWaalsContact CA-O 3.29Å; C990-R999 WeakPolarHBondContact CA-O 3.4Å; D991-R999 VanDerWaalsContact CG-N 3.29Å; D991-R999 PolarHBondContact N-O 3.05Å; D991-R999 PolarHBondContact OD1-N 3.47Å; D991-R999 WeakPolarHBondContact OD2-CA 3.34Å; D991-R999 VanDerWaalsContact OD2-CB 3.23Å; D991-R999 WeakPolarHBondContact OD2-CB 3.44Å; D991-R999 PolarHBondContact OD2-N 2.68Å; K997-R999 PolarHBondContact O-N 3.4Å |
| 1000 | C | 90 | Very high | 81.1 | Confident | 49 Ų | 49 | 61 Ų | 61 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.9 | -172.1 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | A989 C990 | A989-C1000 WeakPolarHBondContact O-CA 3.46Å; C990-C1000 HydrophobicContact CB-CB 4.11Å; C990-C1000 WeakPolarHBondContact CB-SG 3.35Å; C990-C1000 WeakPolarHBondContact SG-CB 3.25Å; C990-C1000 CovalentContact SG-SG 2.04Å; C990-C1000 PolarHBondContact SG-SG 2.78Å |
| 1001 | T | 90.8 | Very high | 79.7 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.9 | 176.4 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | P876 F878 E988 A989 | P876-T1001 WeakPolarHBondContact O-CB 3.25Å; P876-T1001 PolarHBondContact O-OG1 3.47Å; F878-T1001 HydrophobicContact CD2-CG2 3.94Å; F878-T1001 HydrophobicContact CE2-CG2 4.22Å; F878-T1001 WeakPolarHBondContact CE2-O 3.47Å; E988-T1001 WeakPolarHBondContact CA-O 3.32Å; A989-T1001 PolarHBondContact N-O 2.85Å; A989-T1001 PolarHBondContact O-N 3.27Å |
| 1002 | L | 90.6 | Very high | 78 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.8 | -172.6 | -58.5 | -177.3 | 0 | 0 | 0 | 113 | L922 L987 E988 | L922-L1002 HydrophobicContact CD1-CD2 3.66Å; L987-L1002 WeakPolarHBondContact O-CA 3.44Å; E988-L1002 HydrophobicContact CB-CD2 3.62Å; E988-L1002 HydrophobicContact CG-CD2 3.84Å |
| 1003 | Y | 88.4 | Confident | 76.5 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 99.2 | 174.1 | -167.8 | -81.2 | 0 | 0 | 0 | 110.9 | P881 N882 N886 T986 L987 N1005 L1006 | P881-Y1003 HydrophobicContact CB-CE1 4.21Å; P881-Y1003 HydrophobicContact CB-CE2 4.34Å; P881-Y1003 HydrophobicContact CG-CD1 3.85Å; P881-Y1003 HydrophobicContact CG-CD2 4.3Å; P881-Y1003 HydrophobicContact CG-CE1 3.53Å; P881-Y1003 HydrophobicContact CG-CE2 3.99Å; P881-Y1003 HydrophobicContact CG-CG 4.23Å; P881-Y1003 WeakPolarHBondContact O-CE2 3.47Å; N882-Y1003 PolarHBondContact O-OH 3.06Å; N886-Y1003 WeakPolarHBondContact CA-OH 3.17Å; N886-Y1003 HydrophobicContact CB-CE1 4.49Å; N886-Y1003 WeakPolarHBondContact CB-OH 3.48Å; T986-Y1003 WeakPolarHBondContact CA-O 3.26Å; L987-Y1003 PolarHBondContact N-O 3.31Å; L987-Y1003 PolarHBondContact O-N 3.42Å; Y1003-N1005 PolarHBondContact O-N 3.07Å; Y1003-L1006 HydrophobicContact CD1-CB 4.34Å; Y1003-L1006 HydrophobicContact CE1-CB 4.22Å |
| 1004 | N | 84.1 | Confident | 74.8 | Confident | 90 Ų | 90 | 80 Ų | 80 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 8.8 | -162.7 | -60.1 | -19.5 | 0 | 0 | 0 | 116.2 | T986 | T986-N1004 VanDerWaalsContact CG2-OD1 3.31Å; T986-N1004 WeakPolarHBondContact CG2-OD1 3.31Å |
| 1005 | N | 83.2 | Confident | 73.6 | Confident | 96 Ų | 96 | 78.3 Ų | 78.3 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 31.4 | -164.6 | -79.9 | -68.1 | 0 | 0 | 0 | 115.8 | Y1003 K1007 | Y1003-N1005 PolarHBondContact O-N 3.07Å; N1005-K1007 PolarHBondContact O-N 3.33Å |
| 1006 | L | 87.1 | Confident | 72.8 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 98.6 | 175.4 | 177.5 | 57.3 | 0 | 0 | 0 | 110.9 | P881 I904 L939 I984 L985 L987 Y1003 | P881-L1006 HydrophobicContact CG-CD1 4.39Å; I904-L1006 HydrophobicContact CD1-CD2 4Å; L939-L1006 HydrophobicContact CD2-CD2 3.84Å; I984-L1006 CarbonylContact C-O 3.59Å; I984-L1006 WeakPolarHBondContact CA-O 3.49Å; L985-L1006 HydrophobicContact CB-CB 4.33Å; L985-L1006 PolarHBondContact N-O 3.13Å; L985-L1006 PolarHBondContact O-N 3.13Å; L987-L1006 HydrophobicContact CD1-CB 4.4Å; L987-L1006 HydrophobicContact CD1-CD2 3.84Å; Y1003-L1006 HydrophobicContact CD1-CB 4.34Å; Y1003-L1006 HydrophobicContact CE1-CB 4.22Å |
| 1007 | K | 84.9 | Confident | 72.2 | Confident | 70 Ų | 70 | 82.4 Ų | 82.4 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.3 | -177.5 | -176.2 | -178.5 | 179.9 | -171.8 | 0 | 111.3 | N886 T887 L888 I982 H983 I984 N1005 M1009 | N886-K1007 PolarHBondContact O-N 2.91Å; T887-K1007 CarbonylContact C-O 3.58Å; T887-K1007 WeakPolarHBondContact CA-O 3.44Å; T887-K1007 HydrophobicContact CG2-CB 4.43Å; T887-K1007 HydrophobicContact CG2-CD 4.2Å; T887-K1007 HydrophobicContact CG2-CG 4.38Å; L888-K1007 PolarHBondContact N-O 3.26Å; I982-K1007 HydrophobicContact CG2-CD 4.5Å; I982-K1007 HydrophobicContact CG2-CG 3.95Å; H983-K1007 CarbonylContact O-C 3.58Å; H983-K1007 WeakPolarHBondContact O-CA 3.41Å; I984-K1007 HydrophobicContact CG1-CB 4.48Å; I984-K1007 HydrophobicContact CG1-CG 4.33Å; N1005-K1007 PolarHBondContact O-N 3.33Å; K1007-M1009 HydrophobicContact CD-SD 4.47Å; K1007-M1009 HydrophobicContact CG-CG 4.26Å |
| 1008 | I | 84.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.8 | 178.2 | -52.8 | 174.5 | 0 | 0 | 0 | 108.9 | L888 I890 F930 L939 I982 H983 L985 | L888-I1008 HydrophobicContact CB-CG1 4.39Å; L888-I1008 WeakPolarHBondContact O-CA 3.11Å; I890-I1008 HydrophobicContact CD1-CG2 3.64Å; I890-I1008 HydrophobicContact CG1-CG2 4.34Å; F930-I1008 HydrophobicContact CD1-CD1 3.87Å; F930-I1008 HydrophobicContact CD2-CD1 4.41Å; F930-I1008 HydrophobicContact CE1-CB 4.44Å; F930-I1008 HydrophobicContact CE1-CD1 3.61Å; F930-I1008 HydrophobicContact CE1-CG2 3.91Å; F930-I1008 HydrophobicContact CE2-CD1 4.18Å; F930-I1008 HydrophobicContact CG-CD1 4.26Å; F930-I1008 HydrophobicContact CZ-CB 4.16Å; F930-I1008 HydrophobicContact CZ-CD1 3.78Å; F930-I1008 HydrophobicContact CZ-CG2 3.95Å; L939-I1008 HydrophobicContact CD2-CD1 4.01Å; I982-I1008 CarbonylContact C-O 3.54Å; I982-I1008 WeakPolarHBondContact CA-O 3.32Å; H983-I1008 PolarHBondContact N-O 3.1Å; H983-I1008 PolarHBondContact O-N 2.58Å; L985-I1008 HydrophobicContact CD1-CD1 3.69Å; L985-I1008 HydrophobicContact CG-CD1 4.05Å |
| 1009 | M | 78.8 | Confident | 68.6 | Low | 42 Ų | 42 | 85.8 Ų | 85.8 | 21% | 0.207 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | -176.4 | -54.1 | -169.8 | -58.6 | 0 | 0 | 111.1 | T887 L888 A889 I890 I982 K1007 | T887-M1009 HydrophobicContact CG2-CE 3.71Å; T887-M1009 HydrophobicContact CG2-CG 4.36Å; T887-M1009 HydrophobicContact CG2-SD 4.19Å; L888-M1009 PolarHBondContact O-N 2.03Å; A889-M1009 CarbonylContact C-O 3.49Å; A889-M1009 WeakPolarHBondContact CA-O 3.41Å; A889-M1009 HydrophobicContact CB-CE 4.25Å; I890-M1009 PolarHBondContact N-O 2.75Å; I982-M1009 HydrophobicContact CD1-CG 4.41Å; I982-M1009 HydrophobicContact CD1-SD 4.41Å; I982-M1009 HydrophobicContact CG1-CB 4.46Å; I982-M1009 HydrophobicContact CG1-CG 4.15Å; I982-M1009 HydrophobicContact CG2-CG 4.33Å; K1007-M1009 HydrophobicContact CD-SD 4.47Å; K1007-M1009 HydrophobicContact CG-CG 4.26Å |
| 1010 | I | 71.4 | Confident | 66 | Low | 18 Ų | 18 | 91 Ų | 91 | 9% | 0.092 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.3 | 179.3 | -57.5 | -178.5 | 0 | 0 | 0 | 108.8 | I890 L892 S980 S981 | I890-I1010 HydrophobicContact CB-CG1 4.43Å; I890-I1010 HydrophobicContact CD1-CG1 4.29Å; I890-I1010 CarbonylContact O-C 3.6Å; I890-I1010 WeakPolarHBondContact O-CA 3.32Å; L892-I1010 HydrophobicContact CD1-CG2 3.5Å; L892-I1010 VanDerWaalsContact CD1-CG2 3.5Å; L892-I1010 HydrophobicContact CG-CG2 3.9Å; S980-I1010 CarbonylContact C-O 3.55Å; S980-I1010 WeakPolarHBondContact CA-O 3.36Å; S980-I1010 VanDerWaalsContact CB-O 3.26Å; S980-I1010 WeakPolarHBondContact CB-O 3.33Å; S981-I1010 PolarHBondContact N-O 2.73Å; S981-I1010 PolarHBondContact O-N 3.48Å |
| 1011 | Q | 63.2 | Low | 63.1 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.1 | -176.5 | -70.8 | -175.9 | -20.9 | 0 | 0 | 113 | I890 A891 L892 | I890-Q1011 PolarHBondContact O-N 3.15Å; A891-Q1011 WeakPolarHBondContact CA-O 3.33Å; L892-Q1011 PolarHBondContact N-O 3.01Å |
| 1012 | N | 54 | Low | 60.2 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | trans | -111.3 | 118.5 | 172.5 | -171.9 | -11.5 | 0 | 0 | 0 | 108.6 | ||||
| 1013 | N | 54.9 | Low | 57.5 | Low | 74 Ų | 74 | 103.2 Ų | 103.2 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | trans | -123.8 | 148.9 | -135.2 | -167.1 | 30.4 | 0 | 0 | 0 | 116.7 | E1015 | N1013-E1015 PolarHBondContact OD1-N 3.11Š| ||
| 1014 | K | 40.7 | Very low | 55.1 | Low | 215 Ų | 215 | 110.4 Ų | 110.4 | 94% | 0.935 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -144.9 | 0 | 159.9 | -51.8 | -174.8 | 178.1 | 179.8 | 0 | 111.2 | ||
| 1015 | E | 40.7 | Very low | 52.5 | Low | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | 0 | 0 | 0 | -112 | -57.5 | -66.7 | 0 | 0 | 126.5 | N1013 | N1013-E1015 PolarHBondContact OD1-N 3.11Š| |||
| 1016 | K | 44.3 | Very low | 49.9 | Very low | 130 Ų | 130 | 118 Ų | 118 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | 0 | 0 | 0 | 46.6 | 68.7 | -105.2 | 99.1 | 0 | 129.5 | |||||
| 1017 | D | 48.3 | Very low | 47.2 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | 0 | 0 | 0 | -59.8 | -40.2 | 0 | 0 | 0 | 125.2 | |||||
| 1018 | V | 39.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 79% | 0.788 | 66% | 0.66 | S | S | * | * | 0 | 0 | 0 | -144.4 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1019 | H | 34.3 | Very low | 42.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | 0 | 0 | 0 | -34.4 | -46.4 | 0 | 0 | 0 | 129.6 | |||||
| 1020 | T | 32.4 | Very low | 40.5 | Very low | 153 Ų | 153 | 147 Ų | 147 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | 0 | 0 | 0 | 60.9 | 0 | 0 | 0 | 0 | 129.2 | |||||
| 1021 | L | 27.9 | Very low | 39.6 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | 0 | 0 | 0 | -113.4 | 172.8 | 0 | 0 | 0 | 129.4 | |||||
| 1022 | E | 29.9 | Very low | 39.2 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 0 | 0 | 0 | -122.8 | -68 | 93 | 0 | 0 | 128.4 | K1024 | E1022-K1024 IonicContact OE1-NZ 2.67Å; E1022-K1024 PolarHBondContact OE1-NZ 3.46Å; E1022-K1024 IonicContact OE2-NZ 2.76Å; E1022-K1024 PolarHBondContact OE2-NZ 2.76Å | |||
| 1023 | S | 35.7 | Very low | 39.4 | Very low | 98 Ų | 98 | 158.2 Ų | 158.2 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | 0 | 0 | 0 | 62.7 | 0 | 0 | 0 | 0 | 129.1 | |||||
| 1024 | K | 36.5 | Very low | 39.3 | Very low | 179 Ų | 179 | 163.5 Ų | 163.5 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | 0 | 0 | 0 | -78.3 | 127.6 | -157.6 | 92.3 | 0 | 128.1 | E1022 | E1022-K1024 IonicContact OE1-NZ 2.67Å; E1022-K1024 PolarHBondContact OE1-NZ 3.46Å; E1022-K1024 IonicContact OE2-NZ 2.76Å; E1022-K1024 PolarHBondContact OE2-NZ 2.76Å | |||
| 1025 | Q | 29.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 161 Ų | 161 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | 0 | 0 | 0 | -154.9 | 171.1 | 13.7 | 0 | 0 | 131.1 | |||||
| 1026 | F | 29.5 | Very low | 39.8 | Very low | 179 Ų | 179 | 162.4 Ų | 162.4 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | 0 | 0 | 0 | -62.6 | -66.4 | 0 | 0 | 0 | 136 | |||||
| 1027 | Q | 29.6 | Very low | 40 | Very low | 197 Ų | 197 | 160.9 Ų | 160.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | 0 | 0 | 0 | -75.1 | -164.4 | 90.9 | 0 | 0 | 132.1 | |||||
| 1028 | Y | 28.9 | Very low | 39.7 | Very low | 244 Ų | 244 | 160.7 Ų | 160.7 | 96% | 0.957 | 84% | 0.842 | S | S | * | * | 0 | 0 | 0 | -90.6 | -93.6 | 0 | 0 | 0 | 134.2 | |||||
| 1029 | N | 36.4 | Very low | 39.5 | Very low | 170 Ų | 170 | 158 Ų | 158 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | 0 | 0 | 0 | -157.2 | 15.3 | 0 | 0 | 0 | 129.6 | |||||
| 1030 | S | 43 | Very low | 39.8 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 81% | 0.811 | 84% | 0.84 | S | S | * | * | 0 | 0 | 0 | 72.5 | 0 | 0 | 0 | 0 | 130.5 | |||||
| 1031 | P | 51.7 | Low | 39.9 | Very low | 136 Ų | 136 | 155 Ų | 155 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | 0 | 0 | 0 | 44.7 | -25.4 | 0 | 0 | 0 | 127.2 | |||||
| 1032 | N | 55.6 | Low | 39.9 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | 0 | 0 | 0 | -173.3 | 28.3 | 0 | 0 | 0 | 124.4 | |||||
| 1033 | Q | 57.4 | Low | 39.9 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | 0 | 0 | 0 | -119 | 170.9 | 106 | 0 | 0 | 131.7 | |||||
| 1034 | F | 53.5 | Low | 39.8 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | 0 | 0 | 0 | -97.8 | -78.3 | 0 | 0 | 0 | 138.8 | |||||
| 1035 | I | 48.7 | Very low | 39.4 | Very low | 163 Ų | 163 | 151 Ų | 151 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | 0 | 0 | 0 | -134.5 | 167.6 | 0 | 0 | 0 | 138.7 | |||||
| 1036 | N | 42.3 | Very low | 39.4 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | 0 | 0 | 0 | -140.6 | -9.6 | 0 | 0 | 0 | 132.6 | |||||
| 1037 | A | 49.4 | Very low | 39.4 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 127.6 | |||||
| 1038 | P | 42.2 | Very low | 39.4 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | 0 | 0 | 0 | 47 | -29.6 | 0 | 0 | 0 | 125.5 | |||||
| 1039 | G | 35.7 | Very low | 39.3 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | 0 | -163.1 | 0 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1040 | L | 39.1 | Very low | 38.9 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -136.6 | 132.9 | -159.1 | -92.8 | 81.9 | 0 | 0 | 0 | 119.6 | ||||
| 1041 | T | 35.5 | Very low | 38.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | 52.3 | 135.1 | 101.4 | 65.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1042 | S | 28.2 | Very low | 37.1 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | cis | 100.2 | 156.6 | 25.4 | 78.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1043 | A | 28.3 | Very low | 35.7 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -101.2 | 154.7 | -157.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1044 | E | 33.8 | Very low | 34.3 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -161.8 | 147 | 160.3 | -102.7 | 160.3 | -159.9 | 0 | 0 | 107.3 | ||||
| 1045 | T | 28.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | cis | 120.8 | 164.1 | 31.2 | -66.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1046 | V | 30.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 100 | 103.4 | 164.8 | -173.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1047 | L | 30.1 | Very low | 31.8 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | 62.4 | 104.6 | 141.5 | -93.9 | 63.7 | 0 | 0 | 0 | 124.2 | ||||
| 1048 | S | 27.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | 65.8 | 139 | 108.8 | 74.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1049 | S | 27.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | 66.2 | 147.4 | 152.9 | 66.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1050 | A | 27.2 | Very low | 29.8 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | cis | 169.9 | 179.9 | -21.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1051 | F | 29.3 | Very low | 29.5 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | trans | 69.3 | 104.6 | -179.6 | -58.8 | -87.6 | 0 | 0 | 0 | 113.7 | ||||
| 1052 | K | 27.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | 77.3 | 126.7 | 51.3 | -74.4 | -170.9 | 159.2 | -170.5 | 0 | 115.2 | |||||
| 1053 | Q | 27.8 | Very low | 29.4 | Very low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | trans | 79.9 | 113.4 | 137.7 | -75.2 | 175.6 | -59.2 | 0 | 0 | 120 | ||||
| 1054 | N | 27.7 | Very low | 29.5 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 57% | 0.567 | 65% | 0.652 | S | S | * | * | 59.9 | 104.9 | 120.6 | -56.2 | 9.6 | 0 | 0 | 0 | 119.1 | |||||
| 1055 | H | 29.4 | Very low | 29.4 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 51% | 0.509 | 64% | 0.64 | S | S | . | * | 68.9 | 176.3 | 126.2 | -76.4 | -43.5 | 0 | 0 | 0 | 117 | H1399 F1400 | H1055-H1399 PolarHBondContact NE2-O 3.06Å; H1055-F1400 HydrophobicContact CB-CB 4.4Å; H1055-F1400 PolarHBondContact CE1-O 3.01Å; H1055-F1400 PolarHBondContact NE2-N 3.45Å; H1055-F1400 VanDerWaalsContact NE2-N 3.11Å; H1055-F1400 PolarHBondContact NE2-O 3.26Å | |||
| 1056 | P | 33.7 | Very low | 29.5 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 48% | 0.481 | 64% | 0.643 | S | S | . | * | cis | -148.7 | -179.4 | -40.5 | 40 | -22.9 | 0 | 0 | 0 | 118.6 | F1400 H1401 | P1056-F1400 HydrophobicContact CB-CB 4.38Å; P1056-F1400 HydrophobicContact CG-CD2 3.9Å; P1056-F1400 HydrophobicContact CG-CE2 4.43Å; P1056-H1401 HydrophobicContact CB-CB 3.29Å; P1056-H1401 WeakPolarHBondContact CB-ND1 3.43Å | ||
| 1057 | N | 28.2 | Very low | 29.4 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 35% | 0.353 | 64% | 0.637 | S | S | . | * | trans | 84.4 | 168.4 | 139.8 | -146.3 | 9.3 | 0 | 0 | 0 | 121.9 | H1401 S1402 Q1403 | N1057-H1401 VanDerWaalsContact CG-NE2 3.26Å; N1057-H1401 PolarHBondContact ND2-CE1 2.86Å; N1057-H1401 PolarHBondContact ND2-NE2 2.89Å; N1057-H1401 VanDerWaalsContact ND2-NE2 3.19Å; N1057-H1401 PolarHBondContact OD1-CD2 3.08Å; N1057-H1401 PolarHBondContact OD1-NE2 3.04Å; N1057-S1402 PolarHBondContact N-OG 3.23Å; N1057-Q1403 VanDerWaalsContact C-OE1 3.26Å; N1057-Q1403 PolarHBondContact OD1-NE2 2.71Å | ||
| 1058 | H | 28.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | trans | 102.8 | 85.6 | 172.2 | -52.4 | -78.8 | 0 | 0 | 0 | 117.9 | Q1403 | H1058-Q1403 VanDerWaalsContact CA-OE1 3.31Å; H1058-Q1403 PolarHBondContact O-OE1 3.2Å | ||
| 1059 | I | 27.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 54% | 0.538 | 63% | 0.632 | S | S | . | * | trans | -45 | 136.8 | 165.3 | -62.9 | 168.2 | 0 | 0 | 0 | 113.1 | Q1403 | I1059-Q1403 HydrophobicContact CB-CG 4.46Å; I1059-Q1403 HydrophobicContact CG1-CG 3.67Å | ||
| 1060 | Q | 29.9 | Very low | 29.8 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | trans | -146.5 | 151.1 | 149.8 | -74.4 | -156.3 | -2.4 | 0 | 0 | 109 | ||||
| 1061 | N | 32.2 | Very low | 30 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | cis | -165.5 | 155.1 | -12.3 | -111.5 | -16.3 | 0 | 0 | 0 | 110.2 | ||||
| 1062 | N | 31.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | trans | 65.8 | 159.7 | 146.9 | -68.6 | -12.1 | 0 | 0 | 0 | 119.4 | ||||
| 1063 | F | 29.9 | Very low | 30.3 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | cis | -152.3 | 147.2 | -2.4 | -119.2 | -39.6 | 0 | 0 | 0 | 109.8 | ||||
| 1064 | N | 31.3 | Very low | 30.3 | Very low | 135 Ų | 135 | 120 Ų | 120 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | trans | 65.3 | 149.2 | 147 | -67.9 | -14.9 | 0 | 0 | 0 | 119.4 | ||||
| 1065 | S | 30.4 | Very low | 30.3 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 62% | 0.621 | S | S | * | * | cis | -167.6 | 144.3 | -3 | 38.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1066 | I | 29.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 81% | 0.805 | 62% | 0.624 | S | S | * | * | trans | 66.9 | 134.4 | 140.2 | -64 | 165.6 | 0 | 0 | 0 | 117.6 | ||||
| 1067 | Q | 29.4 | Very low | 29.9 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | cis | -104.6 | -98.9 | 4.3 | -165 | 167 | -112.2 | 0 | 0 | 112.9 | F1069 | Q1067-F1069 HydrophobicContact CG-CD2 3.99Å; Q1067-F1069 HydrophobicContact CG-CE2 3.92Å | ||
| 1068 | E | 31.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | cis | -153.6 | 160.8 | -8.5 | -166.5 | 51.5 | -78.4 | 0 | 0 | 111.8 | ||||
| 1069 | F | 30.7 | Very low | 29.7 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | trans | -121 | 162.3 | -167.5 | -69.1 | -87.8 | 0 | 0 | 0 | 112.6 | Q1067 | Q1067-F1069 HydrophobicContact CG-CD2 3.99Å; Q1067-F1069 HydrophobicContact CG-CE2 3.92Å | ||
| 1070 | N | 32.2 | Very low | 29.7 | Very low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | cis | -137.3 | 148.1 | 4.2 | -98.6 | -46.9 | 0 | 0 | 0 | 107.8 | ||||
| 1071 | N | 31.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 64% | 0.642 | 69% | 0.686 | S | S | * | * | 55.3 | 141.4 | 75.4 | -78 | 42.1 | 0 | 0 | 0 | 113.6 | |||||
| 1072 | D | 32.6 | Very low | 29.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | cis | -160.7 | 170.4 | 7 | -102.6 | -35.6 | 0 | 0 | 0 | 106.7 | ||||
| 1073 | N | 30.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | cis | 176.1 | 162.6 | -32.9 | -126 | -31.2 | 0 | 0 | 0 | 106.3 | ||||
| 1074 | L | 27.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | trans | 54.6 | 116.3 | 150.6 | -89.2 | 79.1 | 0 | 0 | 0 | 123.4 | ||||
| 1075 | Y | 28.1 | Very low | 28.6 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | 99.6 | 120.7 | 113.8 | -89.8 | -148.6 | 0 | 0 | 0 | 124.2 | |||||
| 1076 | Q | 27.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | 63.7 | 106.1 | 123.1 | -70.2 | -159.2 | 38.9 | 0 | 0 | 122.2 | |||||
| 1077 | K | 26.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 135 Ų | 135 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | 90.2 | 132.4 | 100.1 | -170 | 179.3 | 177.6 | -176.1 | 0 | 119.4 | |||||
| 1078 | A | 25.8 | Very low | 28.1 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | trans | 76 | 129.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1079 | T | 26.1 | Very low | 27.9 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 49.3 | 112.9 | 142.2 | 57.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1080 | G | 27.9 | Very low | 27.8 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -173.1 | 103.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1081 | L | 27 | Very low | 27.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | 23 | 129.5 | 135.5 | -69.4 | 151.7 | 0 | 0 | 0 | 119.9 | ||||
| 1082 | T | 23.5 | Very low | 27.3 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -60.1 | -178.6 | 159 | 44 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1083 | Y | 26.2 | Very low | 27.2 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | 79 | 130.9 | -176.1 | -59.4 | -93.6 | 0 | 0 | 0 | 114.6 | ||||
| 1084 | G | 29.7 | Very low | 27 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | cis | 170.8 | 160.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1085 | N | 26.2 | Very low | 27 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | 35.9 | 129.5 | 158.9 | -54.4 | -21 | 0 | 0 | 0 | 120.1 | ||||
| 1086 | L | 26.2 | Very low | 26.9 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | -169.8 | 127.8 | 111.4 | -122.9 | 61.9 | 0 | 0 | 0 | 112.9 | |||||
| 1087 | L | 26.6 | Very low | 27.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 54.1 | 144 | 142.2 | -66.2 | 170.8 | 0 | 0 | 0 | 120.5 | ||||
| 1088 | M | 26.9 | Very low | 27.7 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | cis | -141.1 | 160.5 | 14.1 | -93.9 | -140 | 179.4 | 0 | 0 | 113.1 | ||||
| 1089 | S | 26.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 64.2 | 119 | 153.6 | -171.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1090 | K | 27.8 | Very low | 29.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 73% | 0.726 | 72% | 0.716 | S | S | * | * | cis | -159.2 | 146.4 | 4 | -119.6 | 177.7 | 179.5 | 178.5 | 0 | 110.3 | ||||
| 1091 | Q | 27.5 | Very low | 30.5 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | 33.7 | 140.7 | 133.4 | -65.1 | 176.4 | -53.4 | 0 | 0 | 120.2 | ||||
| 1092 | N | 27.2 | Very low | 31.5 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | cis | -176.6 | 156 | -8.2 | -114.6 | -1.9 | 0 | 0 | 0 | 107.7 | ||||
| 1093 | H | 28.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | trans | 66.1 | 155.9 | 152.5 | -67.2 | -17.5 | 0 | 0 | 0 | 117 | ||||
| 1094 | K | 28.2 | Very low | 34.7 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | cis | -158 | 175.3 | -14.2 | -124.8 | 174.2 | -179.7 | 175.1 | 0 | 110.7 | ||||
| 1095 | L | 26.4 | Very low | 36 | Very low | 138 Ų | 138 | 125 Ų | 125 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | trans | 9.7 | 112.9 | 136.4 | -97.9 | 59.3 | 0 | 0 | 0 | 115.4 | ||||
| 1096 | S | 26.6 | Very low | 37.7 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | 93.8 | 163.1 | 77 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1097 | S | 33.5 | Very low | 39.7 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 74% | 0.741 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 61.3 | 139.2 | -178.9 | 41 | 0 | 0 | 0 | 0 | 115.3 | T1099 | S1097-T1099 PolarHBondContact O-N 3.33Š|
| 1098 | Y | 37.8 | Very low | 41.8 | Very low | 199 Ų | 199 | 114.5 Ų | 114.5 | 78% | 0.78 | 60% | 0.601 | S | S | * | * | trans | -43 | 130.6 | 171.4 | -60.2 | -97.5 | 0 | 0 | 0 | 111.5 | I1103 | Y1098-I1103 HydrophobicContact CG-CD1 4.39Š| ||
| 1099 | T | 43.6 | Very low | 43.8 | Very low | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.423 | 59% | 0.585 | S | S | . | * | trans | -71.6 | 149.9 | 175.1 | 81.9 | 0 | 0 | 0 | 0 | 109.8 | S1097 N1101 D1102 I1103 | S1097-T1099 PolarHBondContact O-N 3.33Å; T1099-N1101 PolarHBondContact O-N 3.44Å; T1099-N1101 VanDerWaalsContact O-N 3.12Å; T1099-N1101 PolarHBondContact OG1-N 3.18Å; T1099-D1102 WeakPolarHBondContact CB-OD2 3.39Å; T1099-D1102 VanDerWaalsContact CG2-OD2 3.31Å; T1099-D1102 WeakPolarHBondContact CG2-OD2 3.36Å; T1099-D1102 PolarHBondContact O-N 3.48Å; T1099-D1102 VanDerWaalsContact O-N 3.16Å; T1099-D1102 PolarHBondContact OG1-N 3.36Å; T1099-D1102 PolarHBondContact OG1-OD2 3.04Å; T1099-I1103 PolarHBondContact O-N 2.92Å | ||
| 1100 | T | 45 | Very low | 46 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 64% | 0.644 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.4 | -22.6 | 172.8 | -40.1 | 0 | 0 | 0 | 0 | 111.5 | M1104 | T1100-M1104 HydrophobicContact CG2-CG 4.32Å; T1100-M1104 WeakPolarHBondContact O-CA 3.4Å; T1100-M1104 WeakPolarHBondContact O-CB 3.44Å; T1100-M1104 WeakPolarHBondContact O-CG 3.49Å; T1100-M1104 PolarHBondContact O-N 3.23Å |
| 1101 | N | 48.2 | Very low | 48.3 | Very low | 117 Ų | 117 | 106.3 Ų | 106.3 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.6 | -33.3 | 177.2 | -71.9 | -1.8 | 0 | 0 | 0 | 112.8 | T1099 M1104 I1105 | T1099-N1101 PolarHBondContact O-N 3.44Å; T1099-N1101 VanDerWaalsContact O-N 3.12Å; T1099-N1101 PolarHBondContact OG1-N 3.18Å; N1101-M1104 CarbonylContact O-C 3.55Å; N1101-M1104 PolarHBondContact O-N 3.43Å; N1101-I1105 WeakPolarHBondContact O-CB 3.28Å; N1101-I1105 VanDerWaalsContact O-CG1 3.22Å; N1101-I1105 WeakPolarHBondContact O-CG1 3.42Å; N1101-I1105 PolarHBondContact O-N 3.08Å |
| 1102 | D | 49.9 | Very low | 50.3 | Low | 88 Ų | 88 | 106.6 Ų | 106.6 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.2 | -37.4 | 170.6 | -56.2 | -58 | 0 | 0 | 0 | 110.9 | T1099 I1105 T1106 | T1099-D1102 WeakPolarHBondContact CB-OD2 3.39Å; T1099-D1102 VanDerWaalsContact CG2-OD2 3.31Å; T1099-D1102 WeakPolarHBondContact CG2-OD2 3.36Å; T1099-D1102 PolarHBondContact O-N 3.48Å; T1099-D1102 VanDerWaalsContact O-N 3.16Å; T1099-D1102 PolarHBondContact OG1-N 3.36Å; T1099-D1102 PolarHBondContact OG1-OD2 3.04Å; D1102-I1105 PolarHBondContact O-N 3.23Å; D1102-T1106 WeakPolarHBondContact O-CB 3.48Å; D1102-T1106 WeakPolarHBondContact O-CG2 3.49Å; D1102-T1106 PolarHBondContact O-N 2.95Å; D1102-T1106 PolarHBondContact O-OG1 2.91Å |
| 1103 | I | 55.6 | Low | 52.5 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 168.9 | -72 | 173.7 | 0 | 0 | 0 | 110.6 | Y1098 T1099 T1106 C1107 | Y1098-I1103 HydrophobicContact CG-CD1 4.39Å; T1099-I1103 PolarHBondContact O-N 2.92Å; I1103-T1106 WeakPolarHBondContact CA-OG1 3.47Å; I1103-T1106 PolarHBondContact O-OG1 3.27Å; I1103-C1107 WeakPolarHBondContact O-CA 3.47Å; I1103-C1107 WeakPolarHBondContact O-CB 3.48Å; I1103-C1107 PolarHBondContact O-N 3.04Å; I1103-C1107 PolarHBondContact O-SG 2.75Å |
| 1104 | M | 59.5 | Low | 54.8 | Low | 100 Ų | 100 | 101.3 Ų | 101.3 | 49% | 0.493 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.1 | -29.9 | 176.9 | -76.5 | -76.6 | -75.6 | 0 | 0 | 112.4 | T1100 N1101 L1108 | T1100-M1104 HydrophobicContact CG2-CG 4.32Å; T1100-M1104 WeakPolarHBondContact O-CA 3.4Å; T1100-M1104 WeakPolarHBondContact O-CB 3.44Å; T1100-M1104 WeakPolarHBondContact O-CG 3.49Å; T1100-M1104 PolarHBondContact O-N 3.23Å; N1101-M1104 CarbonylContact O-C 3.55Å; N1101-M1104 PolarHBondContact O-N 3.43Å; M1104-L1108 WeakPolarHBondContact O-CA 3.45Å; M1104-L1108 WeakPolarHBondContact O-CB 3.25Å; M1104-L1108 WeakPolarHBondContact O-CD1 3.09Å; M1104-L1108 WeakPolarHBondContact O-CG 3.1Å; M1104-L1108 PolarHBondContact O-N 3.45Å |
| 1105 | I | 58.5 | Low | 57.1 | Low | 113 Ų | 113 | 97.7 Ų | 97.7 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.9 | -37.6 | 173.2 | -73 | 164.6 | 0 | 0 | 0 | 110.6 | N1101 D1102 S1109 | N1101-I1105 WeakPolarHBondContact O-CB 3.28Å; N1101-I1105 VanDerWaalsContact O-CG1 3.22Å; N1101-I1105 WeakPolarHBondContact O-CG1 3.42Å; N1101-I1105 PolarHBondContact O-N 3.08Å; D1102-I1105 PolarHBondContact O-N 3.23Å; I1105-S1109 WeakPolarHBondContact O-CB 3.19Å; I1105-S1109 PolarHBondContact O-N 2.72Å; I1105-S1109 PolarHBondContact O-OG 3.3Å |
| 1106 | T | 60.5 | Low | 59.4 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.8 | -35.2 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 113 | D1102 I1103 S1109 I1110 | D1102-T1106 WeakPolarHBondContact O-CB 3.48Å; D1102-T1106 WeakPolarHBondContact O-CG2 3.49Å; D1102-T1106 PolarHBondContact O-N 2.95Å; D1102-T1106 PolarHBondContact O-OG1 2.91Å; I1103-T1106 WeakPolarHBondContact CA-OG1 3.47Å; I1103-T1106 PolarHBondContact O-OG1 3.27Å; T1106-S1109 WeakPolarHBondContact CA-OG 3.28Å; T1106-S1109 PolarHBondContact O-N 3.14Å; T1106-S1109 PolarHBondContact O-OG 3.24Å; T1106-S1109 VanDerWaalsContact O-OG 3.08Å; T1106-I1110 VanDerWaalsContact O-CB 3.24Å; T1106-I1110 WeakPolarHBondContact O-CB 3.13Å; T1106-I1110 WeakPolarHBondContact O-CD1 3.19Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.4Å; T1106-I1110 PolarHBondContact O-N 2.98Å |
| 1107 | C | 69 | Low | 61.8 | Low | 51 Ų | 51 | 95.2 Ų | 95.2 | 35% | 0.345 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.7 | -34 | 170.8 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | I1103 I1111 | I1103-C1107 WeakPolarHBondContact O-CA 3.47Å; I1103-C1107 WeakPolarHBondContact O-CB 3.48Å; I1103-C1107 PolarHBondContact O-N 3.04Å; I1103-C1107 PolarHBondContact O-SG 2.75Å; C1107-I1111 WeakPolarHBondContact O-CB 3.46Å; C1107-I1111 WeakPolarHBondContact O-CD1 3.44Å; C1107-I1111 WeakPolarHBondContact O-CG1 3.15Å; C1107-I1111 PolarHBondContact O-N 3.39Å |
| 1108 | L | 70 | Confident | 63.8 | Low | 99 Ų | 99 | 92.9 Ų | 92.9 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 171.2 | -76.6 | 166.4 | 0 | 0 | 0 | 110.9 | M1104 I1111 F1112 | M1104-L1108 WeakPolarHBondContact O-CA 3.45Å; M1104-L1108 WeakPolarHBondContact O-CB 3.25Å; M1104-L1108 WeakPolarHBondContact O-CD1 3.09Å; M1104-L1108 WeakPolarHBondContact O-CG 3.1Å; M1104-L1108 PolarHBondContact O-N 3.45Å; L1108-I1111 PolarHBondContact O-N 3.11Å; L1108-F1112 WeakPolarHBondContact O-CB 3.4Å; L1108-F1112 PolarHBondContact O-N 3.24Å |
| 1109 | S | 70 | Confident | 65.4 | Low | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -33.6 | 172.9 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | I1105 T1106 A1113 | I1105-S1109 WeakPolarHBondContact O-CB 3.19Å; I1105-S1109 PolarHBondContact O-N 2.72Å; I1105-S1109 PolarHBondContact O-OG 3.3Å; T1106-S1109 WeakPolarHBondContact CA-OG 3.28Å; T1106-S1109 PolarHBondContact O-N 3.14Å; T1106-S1109 PolarHBondContact O-OG 3.24Å; T1106-S1109 VanDerWaalsContact O-OG 3.08Å; S1109-A1113 WeakPolarHBondContact O-CB 3.15Å; S1109-A1113 PolarHBondContact O-N 3.06Å |
| 1110 | I | 72.7 | Confident | 66.7 | Low | 95 Ų | 95 | 87.9 Ų | 87.9 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 171.9 | -71.6 | 165.1 | 0 | 0 | 0 | 111.5 | T1106 A1113 L1114 | T1106-I1110 VanDerWaalsContact O-CB 3.24Å; T1106-I1110 WeakPolarHBondContact O-CB 3.13Å; T1106-I1110 WeakPolarHBondContact O-CD1 3.19Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.4Å; T1106-I1110 PolarHBondContact O-N 2.98Å; I1110-A1113 PolarHBondContact O-N 2.82Å; I1110-L1114 HydrophobicContact CG2-CD1 3.81Å; I1110-L1114 HydrophobicContact CG2-CG 4.29Å; I1110-L1114 WeakPolarHBondContact O-CB 3.42Å; I1110-L1114 WeakPolarHBondContact O-CG 3.39Å; I1110-L1114 PolarHBondContact O-N 3.45Å |
| 1111 | I | 76.2 | Confident | 68 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 174 | -73.5 | 163.3 | 0 | 0 | 0 | 109.8 | C1107 L1108 A1113 L1114 V1115 | C1107-I1111 WeakPolarHBondContact O-CB 3.46Å; C1107-I1111 WeakPolarHBondContact O-CD1 3.44Å; C1107-I1111 WeakPolarHBondContact O-CG1 3.15Å; C1107-I1111 PolarHBondContact O-N 3.39Å; L1108-I1111 PolarHBondContact O-N 3.11Å; I1111-A1113 VanDerWaalsContact C-N 3.34Å; I1111-L1114 CarbonylContact O-C 3.5Å; I1111-L1114 PolarHBondContact O-N 2.85Å; I1111-V1115 HydrophobicContact CG2-CG2 4.29Å; I1111-V1115 VanDerWaalsContact O-CB 3.28Å; I1111-V1115 WeakPolarHBondContact O-CB 3.12Å; I1111-V1115 VanDerWaalsContact O-CG2 3.23Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.19Å; I1111-V1115 PolarHBondContact O-N 3.47Å |
| 1112 | F | 69.2 | Low | 69.1 | Low | 150 Ų | 150 | 87 Ų | 87 | 66% | 0.658 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.1 | -33.7 | 176.7 | -152.8 | -86.9 | 0 | 0 | 0 | 111.3 | L1108 L1116 | L1108-F1112 WeakPolarHBondContact O-CB 3.4Å; L1108-F1112 PolarHBondContact O-N 3.24Å; F1112-L1116 HydrophobicContact CD1-CD1 3.94Å; F1112-L1116 HydrophobicContact CD1-CG 4.47Å; F1112-L1116 HydrophobicContact CE1-CD1 4.03Å; F1112-L1116 HydrophobicContact CE1-CG 4.49Å; F1112-L1116 VanDerWaalsContact O-CB 3.27Å; F1112-L1116 WeakPolarHBondContact O-CB 3.43Å; F1112-L1116 PolarHBondContact O-N 3.21Å |
| 1113 | A | 72.6 | Confident | 69.5 | Low | 44 Ų | 44 | 86 Ų | 86 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.4 | -37 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1109 I1110 I1111 L1116 I1117 | S1109-A1113 WeakPolarHBondContact O-CB 3.15Å; S1109-A1113 PolarHBondContact O-N 3.06Å; I1110-A1113 PolarHBondContact O-N 2.82Å; I1111-A1113 VanDerWaalsContact C-N 3.34Å; A1113-L1116 PolarHBondContact O-N 3.05Å; A1113-I1117 VanDerWaalsContact O-CB 3.24Å; A1113-I1117 WeakPolarHBondContact O-CB 2.98Å; A1113-I1117 WeakPolarHBondContact O-CD1 3.3Å; A1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; A1113-I1117 PolarHBondContact O-N 3.12Å |
| 1114 | L | 78.9 | Confident | 69.6 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.8 | -29.4 | 174.5 | -76 | 171.9 | 0 | 0 | 0 | 111.9 | I1110 I1111 A1118 | I1110-L1114 HydrophobicContact CG2-CD1 3.81Å; I1110-L1114 HydrophobicContact CG2-CG 4.29Å; I1110-L1114 WeakPolarHBondContact O-CB 3.42Å; I1110-L1114 WeakPolarHBondContact O-CG 3.39Å; I1110-L1114 PolarHBondContact O-N 3.45Å; I1111-L1114 CarbonylContact O-C 3.5Å; I1111-L1114 PolarHBondContact O-N 2.85Å; L1114-A1118 WeakPolarHBondContact O-CA 3.49Å; L1114-A1118 WeakPolarHBondContact O-CB 3.36Å; L1114-A1118 PolarHBondContact O-N 3.26Å |
| 1115 | V | 75.8 | Confident | 69.7 | Low | 77 Ų | 77 | 85.9 Ų | 85.9 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.3 | -38.1 | 169.8 | 168.8 | 0 | 0 | 0 | 0 | 110 | I1111 A1118 T1119 | I1111-V1115 HydrophobicContact CG2-CG2 4.29Å; I1111-V1115 VanDerWaalsContact O-CB 3.28Å; I1111-V1115 WeakPolarHBondContact O-CB 3.12Å; I1111-V1115 VanDerWaalsContact O-CG2 3.23Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.19Å; I1111-V1115 PolarHBondContact O-N 3.47Å; V1115-A1118 PolarHBondContact O-N 3.39Å; V1115-T1119 HydrophobicContact CG1-CG2 4.28Å; V1115-T1119 VanDerWaalsContact O-CB 3.26Å; V1115-T1119 WeakPolarHBondContact O-CB 3.1Å; V1115-T1119 VanDerWaalsContact O-CG2 3.27Å; V1115-T1119 WeakPolarHBondContact O-CG2 3.17Å; V1115-T1119 PolarHBondContact O-N 3.4Å; V1115-T1119 PolarHBondContact O-OG1 2.73Å |
| 1116 | L | 73.7 | Confident | 69.6 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 169.2 | -95.8 | 165.9 | 0 | 0 | 0 | 111.8 | F1112 A1113 T1119 L1120 | F1112-L1116 HydrophobicContact CD1-CD1 3.94Å; F1112-L1116 HydrophobicContact CD1-CG 4.47Å; F1112-L1116 HydrophobicContact CE1-CD1 4.03Å; F1112-L1116 HydrophobicContact CE1-CG 4.49Å; F1112-L1116 VanDerWaalsContact O-CB 3.27Å; F1112-L1116 WeakPolarHBondContact O-CB 3.43Å; F1112-L1116 PolarHBondContact O-N 3.21Å; A1113-L1116 PolarHBondContact O-N 3.05Å; L1116-T1119 WeakPolarHBondContact CA-OG1 3.2Å; L1116-T1119 PolarHBondContact O-OG1 3.49Å; L1116-L1120 WeakPolarHBondContact O-CA 3.46Å; L1116-L1120 WeakPolarHBondContact O-CB 3.42Å; L1116-L1120 WeakPolarHBondContact O-CD1 3.2Å; L1116-L1120 WeakPolarHBondContact O-CG 3.39Å; L1116-L1120 PolarHBondContact O-N 3.03Å |
| 1117 | I | 76.7 | Confident | 69.2 | Low | 89 Ų | 89 | 90 Ų | 90 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | 176.1 | -72.2 | 164.7 | 0 | 0 | 0 | 110.4 | A1113 I1121 | A1113-I1117 VanDerWaalsContact O-CB 3.24Å; A1113-I1117 WeakPolarHBondContact O-CB 2.98Å; A1113-I1117 WeakPolarHBondContact O-CD1 3.3Å; A1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; A1113-I1117 PolarHBondContact O-N 3.12Å; I1117-I1121 HydrophobicContact CG2-CD1 3.69Å; I1117-I1121 HydrophobicContact CG2-CG1 4.37Å; I1117-I1121 WeakPolarHBondContact O-CB 3.45Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.21Å; I1117-I1121 PolarHBondContact O-N 3.18Å |
| 1118 | A | 75.9 | Confident | 68.4 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1114 V1115 I1121 L1122 | L1114-A1118 WeakPolarHBondContact O-CA 3.49Å; L1114-A1118 WeakPolarHBondContact O-CB 3.36Å; L1114-A1118 PolarHBondContact O-N 3.26Å; V1115-A1118 PolarHBondContact O-N 3.39Å; A1118-I1121 PolarHBondContact O-N 2.87Å; A1118-L1122 WeakPolarHBondContact O-CB 3.44Å; A1118-L1122 PolarHBondContact O-N 3.07Å |
| 1119 | T | 71.7 | Confident | 67.2 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 173.4 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | V1115 L1116 L1122 V1123 | V1115-T1119 HydrophobicContact CG1-CG2 4.28Å; V1115-T1119 VanDerWaalsContact O-CB 3.26Å; V1115-T1119 WeakPolarHBondContact O-CB 3.1Å; V1115-T1119 VanDerWaalsContact O-CG2 3.27Å; V1115-T1119 WeakPolarHBondContact O-CG2 3.17Å; V1115-T1119 PolarHBondContact O-N 3.4Å; V1115-T1119 PolarHBondContact O-OG1 2.73Å; L1116-T1119 WeakPolarHBondContact CA-OG1 3.2Å; L1116-T1119 PolarHBondContact O-OG1 3.49Å; T1119-L1122 PolarHBondContact O-N 2.88Å; T1119-V1123 WeakPolarHBondContact O-CB 3.3Å; T1119-V1123 WeakPolarHBondContact O-CG2 3.13Å; T1119-V1123 PolarHBondContact O-N 3.02Å |
| 1120 | L | 72 | Confident | 65.6 | Low | 100 Ų | 100 | 106.8 Ų | 106.8 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 169.1 | -77.2 | 167.3 | 0 | 0 | 0 | 111.5 | L1116 C1124 | L1116-L1120 WeakPolarHBondContact O-CA 3.46Å; L1116-L1120 WeakPolarHBondContact O-CB 3.42Å; L1116-L1120 WeakPolarHBondContact O-CD1 3.2Å; L1116-L1120 WeakPolarHBondContact O-CG 3.39Å; L1116-L1120 PolarHBondContact O-N 3.03Å; L1120-C1124 WeakPolarHBondContact O-CA 3.29Å; L1120-C1124 WeakPolarHBondContact O-CB 3.34Å; L1120-C1124 PolarHBondContact O-N 3.27Å; L1120-C1124 PolarHBondContact O-SG 2.76Å |
| 1121 | I | 72.4 | Confident | 63.6 | Low | 94 Ų | 94 | 108.4 Ų | 108.4 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | 172.4 | -74.6 | 169.1 | 0 | 0 | 0 | 110.2 | I1117 A1118 C1124 L1125 | I1117-I1121 HydrophobicContact CG2-CD1 3.69Å; I1117-I1121 HydrophobicContact CG2-CG1 4.37Å; I1117-I1121 WeakPolarHBondContact O-CB 3.45Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.21Å; I1117-I1121 PolarHBondContact O-N 3.18Å; A1118-I1121 PolarHBondContact O-N 2.87Å; I1121-C1124 CarbonylContact O-C 3.54Å; I1121-C1124 PolarHBondContact O-N 2.78Å; I1121-L1125 HydrophobicContact CG2-CD1 3.72Å; I1121-L1125 HydrophobicContact CG2-CG 4.21Å; I1121-L1125 VanDerWaalsContact O-CB 3.31Å; I1121-L1125 WeakPolarHBondContact O-CB 3.44Å; I1121-L1125 WeakPolarHBondContact O-CG 3.42Å; I1121-L1125 PolarHBondContact O-N 3.25Å |
| 1122 | L | 69.8 | Low | 61.5 | Low | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.8 | -45.2 | 175.7 | -165.7 | 70.9 | 0 | 0 | 0 | 110.8 | A1118 T1119 C1124 L1125 V1126 | A1118-L1122 WeakPolarHBondContact O-CB 3.44Å; A1118-L1122 PolarHBondContact O-N 3.07Å; T1119-L1122 PolarHBondContact O-N 2.88Å; L1122-C1124 VanDerWaalsContact C-N 3.3Å; L1122-C1124 PolarHBondContact O-N 3.49Å; L1122-L1125 PolarHBondContact O-N 2.76Å; L1122-V1126 VanDerWaalsContact O-CB 3.31Å; L1122-V1126 WeakPolarHBondContact O-CB 3.24Å; L1122-V1126 VanDerWaalsContact O-CG2 3.24Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.16Å; L1122-V1126 PolarHBondContact O-N 2.77Å |
| 1123 | V | 59.5 | Low | 59.7 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 40% | 0.4 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.9 | -34.8 | 172.2 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | T1119 R1127 | T1119-V1123 WeakPolarHBondContact O-CB 3.3Å; T1119-V1123 WeakPolarHBondContact O-CG2 3.13Å; T1119-V1123 PolarHBondContact O-N 3.02Å; V1123-R1127 HydrophobicContact CG1-CG 4.41Å; V1123-R1127 WeakPolarHBondContact O-CA 3.35Å; V1123-R1127 WeakPolarHBondContact O-CB 3.5Å; V1123-R1127 VanDerWaalsContact O-CG 3.23Å; V1123-R1127 WeakPolarHBondContact O-CG 3.4Å; V1123-R1127 PolarHBondContact O-N 2.77Å |
| 1124 | C | 56.6 | Low | 57.6 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77 | -25.7 | 173.7 | -79.8 | 0 | 0 | 0 | 0 | 113.6 | L1120 I1121 L1122 R1128 | L1120-C1124 WeakPolarHBondContact O-CA 3.29Å; L1120-C1124 WeakPolarHBondContact O-CB 3.34Å; L1120-C1124 PolarHBondContact O-N 3.27Å; L1120-C1124 PolarHBondContact O-SG 2.76Å; I1121-C1124 CarbonylContact O-C 3.54Å; I1121-C1124 PolarHBondContact O-N 2.78Å; L1122-C1124 VanDerWaalsContact C-N 3.3Å; L1122-C1124 PolarHBondContact O-N 3.49Å; C1124-R1128 WeakPolarHBondContact O-CB 3.31Å; C1124-R1128 WeakPolarHBondContact O-CG 3.26Å; C1124-R1128 PolarHBondContact O-N 2.85Å |
| 1125 | L | 61.6 | Low | 55.1 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -80.2 | -40.2 | 174 | -74.6 | 170.1 | 0 | 0 | 0 | 111 | I1121 L1122 R1128 R1129 | I1121-L1125 HydrophobicContact CG2-CD1 3.72Å; I1121-L1125 HydrophobicContact CG2-CG 4.21Å; I1121-L1125 VanDerWaalsContact O-CB 3.31Å; I1121-L1125 WeakPolarHBondContact O-CB 3.44Å; I1121-L1125 WeakPolarHBondContact O-CG 3.42Å; I1121-L1125 PolarHBondContact O-N 3.25Å; L1122-L1125 PolarHBondContact O-N 2.76Å; L1125-R1128 CarbonylContact O-C 3.49Å; L1125-R1128 PolarHBondContact O-N 3.22Å; L1125-R1129 PolarHBondContact O-N 2.79Å |
| 1126 | V | 57.4 | Low | 52.8 | Low | 91 Ų | 91 | 124.3 Ų | 124.3 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.9 | -46.8 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L1122 R1128 R1129 V1130 | L1122-V1126 VanDerWaalsContact O-CB 3.31Å; L1122-V1126 WeakPolarHBondContact O-CB 3.24Å; L1122-V1126 VanDerWaalsContact O-CG2 3.24Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.16Å; L1122-V1126 PolarHBondContact O-N 2.77Å; V1126-R1128 VanDerWaalsContact C-N 3.29Å; V1126-R1128 PolarHBondContact O-N 2.81Å; V1126-R1129 PolarHBondContact O-N 3.41Å; V1126-V1130 PolarHBondContact O-N 2.91Å |
| 1127 | R | 51.7 | Low | 50.9 | Low | 181 Ų | 181 | 126.7 Ų | 126.7 | 68% | 0.683 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.6 | -28.1 | 170.6 | -75.2 | 179.3 | 157.3 | 159.5 | -5.5 | 112.9 | V1123 R1129 V1130 V1131 | V1123-R1127 HydrophobicContact CG1-CG 4.41Å; V1123-R1127 WeakPolarHBondContact O-CA 3.35Å; V1123-R1127 WeakPolarHBondContact O-CB 3.5Å; V1123-R1127 VanDerWaalsContact O-CG 3.23Å; V1123-R1127 WeakPolarHBondContact O-CG 3.4Å; V1123-R1127 PolarHBondContact O-N 2.77Å; R1127-R1129 PolarHBondContact O-N 3.06Å; R1127-V1130 PolarHBondContact O-N 3.16Å; R1127-V1131 WeakPolarHBondContact O-CG2 3.21Å |
| 1128 | R | 53.2 | Low | 48.7 | Very low | 215 Ų | 215 | 131.8 Ų | 131.8 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -4.4 | 170.5 | -86.2 | 177.5 | 167.4 | -176.6 | -3.1 | 114.6 | C1124 L1125 V1126 | C1124-R1128 WeakPolarHBondContact O-CB 3.31Å; C1124-R1128 WeakPolarHBondContact O-CG 3.26Å; C1124-R1128 PolarHBondContact O-N 2.85Å; L1125-R1128 CarbonylContact O-C 3.49Å; L1125-R1128 PolarHBondContact O-N 3.22Å; V1126-R1128 VanDerWaalsContact C-N 3.29Å; V1126-R1128 PolarHBondContact O-N 2.81Å |
| 1129 | R | 44.5 | Very low | 46.5 | Very low | 232 Ų | 232 | 138.7 Ų | 138.7 | 88% | 0.875 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -4.1 | 170.6 | -86.1 | -171.1 | 168 | -173.9 | -2.9 | 115.4 | L1125 V1126 R1127 | L1125-R1129 PolarHBondContact O-N 2.79Å; V1126-R1129 PolarHBondContact O-N 3.41Å; R1127-R1129 PolarHBondContact O-N 3.06Å |
| 1130 | V | 34.8 | Very low | 44.8 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -129.8 | 52.9 | 173.8 | -161 | 0 | 0 | 0 | 0 | 111.9 | V1126 R1127 | V1126-V1130 PolarHBondContact O-N 2.91Å; R1127-V1130 PolarHBondContact O-N 3.16Å |
| 1131 | V | 31 | Very low | 42.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -132.8 | 74.9 | 163.2 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | R1127 | R1127-V1131 WeakPolarHBondContact O-CG2 3.21Š| ||
| 1132 | S | 32.7 | Very low | 41.1 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -164.8 | 73 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1133 | F | 30.7 | Very low | 39.5 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | -176.6 | 132.9 | 125.4 | -116.2 | -91.2 | 0 | 0 | 0 | 110 | |||||
| 1134 | K | 28.2 | Very low | 38.3 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -138.6 | 145.7 | 175 | -157 | 178.9 | -175.5 | 178 | 0 | 108 | ||||
| 1135 | N | 27.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | 82.5 | 148.2 | 173.2 | -53 | -24.6 | 0 | 0 | 0 | 118.6 | ||||
| 1136 | Q | 28.3 | Very low | 36 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 93 | 156.9 | -67.1 | 172 | 19.9 | 0 | 0 | 120.7 | ||||
| 1137 | T | 33.1 | Very low | 35 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | 169.4 | 119.3 | 114.6 | 34.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1138 | K | 29.5 | Very low | 34.4 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | 60.4 | 92.1 | 75.3 | -81.3 | -169.1 | 175.3 | 179.4 | 0 | 116 | |||||
| 1139 | K | 29.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 148 Ų | 148 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | 57.6 | 164.1 | 129.7 | -80 | -163.1 | 174.5 | -170.3 | 0 | 120.2 | |||||
| 1140 | P | 36.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | cis | -140.9 | -174.3 | -41.5 | 39 | -20.9 | 0 | 0 | 0 | 113.3 | ||||
| 1141 | A | 32.4 | Very low | 32.9 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | 134.6 | 135.2 | 123 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1142 | N | 35 | Very low | 32.9 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 139.8 | 142.8 | -71.6 | 7.2 | 0 | 0 | 0 | 121 | ||||
| 1143 | Q | 34.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 158 Ų | 158 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -169.8 | 179.4 | -16.6 | -130.9 | 178.4 | 9.4 | 0 | 0 | 112.1 | ||||
| 1144 | V | 35.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 154.9 Ų | 154.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 92.9 | 123.1 | 161.7 | -175.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1145 | K | 33.5 | Very low | 32.6 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | cis | -159.8 | 129.2 | -13.4 | -109.5 | -174.4 | -175.3 | 179.7 | 0 | 107.9 | ||||
| 1146 | N | 36.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | 88.3 | 143.5 | 86.3 | -74.4 | 32.4 | 0 | 0 | 0 | 114.1 | |||||
| 1147 | E | 35.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | cis | -161.1 | 179.4 | 4.4 | -115.5 | 169.3 | 161.7 | 0 | 0 | 113.7 | ||||
| 1148 | P | 38.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | -149.3 | -142.7 | -125.2 | 40.4 | -12.4 | 0 | 0 | 0 | 117 | |||||
| 1149 | I | 34.9 | Very low | 32.5 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | trans | 84.7 | 138.8 | 151.3 | -85.4 | 167 | 0 | 0 | 0 | 118.1 | ||||
| 1150 | H | 34.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | cis | -155.3 | -179 | -7.6 | -123.5 | -24.3 | 0 | 0 | 0 | 113.9 | ||||
| 1151 | H | 31.3 | Very low | 31.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -87.2 | 160 | -176.9 | -54.9 | -86.7 | 0 | 0 | 0 | 116.1 | ||||
| 1152 | W | 32.1 | Very low | 31.6 | Very low | 261 Ų | 261 | 143.1 Ų | 143.1 | 99% | 0.989 | 75% | 0.746 | S | S | * | * | -172.5 | -169.2 | 115.8 | -101.4 | 12.4 | 0 | 0 | 0 | 113.8 | |||||
| 1153 | R | 29.7 | Very low | 31.3 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -137.2 | 140.4 | -146.1 | -172.9 | -177 | -167.3 | 179.5 | 5.9 | 115 | ||||
| 1154 | N | 27.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 42.7 | 111.8 | 162.3 | -64.9 | 25.7 | 0 | 0 | 0 | 120.4 | ||||
| 1155 | Q | 27.5 | Very low | 30.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | 175.5 | 129.2 | 107.4 | -99.9 | -176.5 | -25.2 | 0 | 0 | 114 | |||||
| 1156 | T | 25.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 51.9 | 150 | 146.7 | 56.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1157 | V | 28.9 | Very low | 30.4 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 85.2 | 135.2 | 163.6 | -157.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1158 | S | 28.3 | Very low | 30.1 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -95.6 | -168.7 | 178.1 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1159 | P | 33.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -137.7 | -174.4 | 0 | 38.6 | -16.8 | 0 | 0 | 0 | 116 | ||||
| 1160 | T | 26 | Very low | 29.5 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 49.2 | 111.1 | 150.3 | 50.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1161 | S | 26.8 | Very low | 29.6 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 62.9 | 128.8 | 128.4 | 71.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1162 | S | 27.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 138.9 | 138 | 107.3 | 70.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1163 | I | 28.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 64.5 | 127 | 137.5 | -68.8 | 169.2 | 0 | 0 | 0 | 117.8 | ||||
| 1164 | K | 30.2 | Very low | 30.1 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -169.8 | 147.7 | 49.3 | -143.9 | 148.7 | -144.8 | 163.8 | 0 | 115 | ||||
| 1165 | N | 28.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 21.8 | 137.3 | 148.9 | -53.3 | 12.1 | 0 | 0 | 0 | 123.8 | ||||
| 1166 | Y | 34.6 | Very low | 30.8 | Very low | 238 Ų | 238 | 129.1 Ų | 129.1 | 93% | 0.933 | 76% | 0.756 | S | S | * | * | -150.9 | 153.2 | 116.8 | -110.6 | -80.2 | 0 | 0 | 0 | 110.5 | |||||
| 1167 | N | 27.3 | Very low | 31.2 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -103.1 | 156.4 | -172.4 | -64.9 | -21.1 | 0 | 0 | 0 | 113.1 | ||||
| 1168 | I | 31.1 | Very low | 31.4 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | 177.3 | 153.4 | 119 | -89 | 156.6 | 0 | 0 | 0 | 112.5 | |||||
| 1169 | A | 28.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -53.8 | 158.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1170 | S | 32.2 | Very low | 31.4 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -39.5 | -175.3 | 150.5 | -32.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1171 | P | 37.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | cis | -145.4 | -173 | 14.2 | 44.7 | -25.2 | 0 | 0 | 0 | 117.8 | ||||
| 1172 | G | 32.4 | Very low | 31.8 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 155.9 | 83.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1173 | H | 35.1 | Very low | 32 | Very low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | 64.3 | 142.8 | 138.1 | -95.4 | -100.2 | 0 | 0 | 0 | 125.2 | ||||
| 1174 | G | 35.1 | Very low | 32.4 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 142.3 | 43.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1175 | Q | 35.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | 57.8 | 132 | 105.5 | -85.9 | -171.5 | -13.8 | 0 | 0 | 115.4 | |||||
| 1176 | L | 35.3 | Very low | 32 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | cis | -136.6 | 178.6 | 21.1 | -61.4 | 169.3 | 0 | 0 | 0 | 108.9 | ||||
| 1177 | L | 34 | Very low | 31.8 | Very low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -174 | 162.5 | -28.7 | -91.9 | 175.4 | 0 | 0 | 0 | 103.8 | ||||
| 1178 | S | 31.5 | Very low | 31.8 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | cis | -166.7 | 114.6 | -9.6 | 42 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1179 | S | 29.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | 66 | 150.2 | 90.6 | 73 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1180 | I | 32.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | cis | -139.2 | 163.7 | 32.6 | -66.4 | 172.5 | 0 | 0 | 0 | 111.6 | ||||
| 1181 | N | 31.6 | Very low | 31.3 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -138.8 | 141.2 | -179.1 | -174.6 | 32.4 | 0 | 0 | 0 | 109.4 | ||||
| 1182 | E | 30 | Very low | 30.9 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -155.1 | 175.4 | 171.2 | -88 | -133.7 | -176.8 | 0 | 0 | 112.7 | ||||
| 1183 | N | 30.3 | Very low | 30.8 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -128.2 | -146.5 | -145.9 | -152.7 | -1.9 | 0 | 0 | 0 | 114.8 | ||||
| 1184 | P | 37.7 | Very low | 30.5 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | -118.4 | -174.3 | -130.4 | 41.2 | -24.4 | 0 | 0 | 0 | 117.5 | ||||
| 1185 | L | 26.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | 95.5 | 113.7 | 167.4 | -73.8 | 153.9 | 0 | 0 | 0 | 119.8 | ||||
| 1186 | S | 25 | Very low | 29.8 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 48 | 119.8 | 146.2 | 63 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1187 | I | 30.2 | Very low | 29.5 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | -169.4 | 153.8 | 141.9 | -106.3 | 155.1 | 0 | 0 | 0 | 111.5 | ||||
| 1188 | N | 25.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | -81.7 | 126.6 | 166.9 | -83.9 | -34.7 | 0 | 0 | 0 | 110.7 | ||||
| 1189 | H | 30 | Very low | 28.9 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 174.1 | 133.5 | 128.4 | -97.1 | -60.8 | 0 | 0 | 0 | 114.5 | |||||
| 1190 | N | 25.6 | Very low | 28.7 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | 22.5 | 144.3 | 126.8 | -59.5 | 0.2 | 0 | 0 | 0 | 122.2 | |||||
| 1191 | V | 26.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | 72.7 | 103.2 | 158.2 | 174.3 | 0 | 0 | 0 | 0 | 114.2 | L1193 | V1191-L1193 HydrophobicContact CG1-CD1 4.03Å; V1191-L1193 HydrophobicContact CG1-CG 4.21Å | ||
| 1192 | E | 29.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | 72.2 | 163.2 | 56.9 | -158.1 | -153 | -177.6 | 0 | 0 | 112.5 | |||||
| 1193 | L | 30.1 | Very low | 28 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | trans | 82.2 | 142.8 | 167.6 | -48.6 | 176.4 | 0 | 0 | 0 | 115 | V1191 | V1191-L1193 HydrophobicContact CG1-CD1 4.03Å; V1191-L1193 HydrophobicContact CG1-CG 4.21Å | ||
| 1194 | L | 28.8 | Very low | 27.9 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 56% | 0.555 | 71% | 0.708 | S | S | * | * | cis | -161.7 | 145.9 | 0.5 | -127.1 | 168 | 0 | 0 | 0 | 111.8 | K1196 | L1194-K1196 HydrophobicContact CD2-CD 4.01Å; L1194-K1196 HydrophobicContact CD2-CG 3.77Å | ||
| 1195 | S | 27.9 | Very low | 27.4 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | 150 | 139.2 | 123.1 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1196 | K | 27.5 | Very low | 27.5 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | cis | -165.6 | 169.3 | -26.7 | -138 | 161.7 | -172.7 | 175.3 | 0 | 109.4 | L1194 | L1194-K1196 HydrophobicContact CD2-CD 4.01Å; L1194-K1196 HydrophobicContact CD2-CG 3.77Å | ||
| 1197 | S | 28.3 | Very low | 27.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | 78 | 136.7 | 157.4 | 93.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1198 | T | 26.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | cis | -163.8 | 169.5 | -22 | -7.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1199 | I | 27.2 | Very low | 28.2 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | trans | 77 | 76.2 | 152.2 | -63.6 | 154.4 | 0 | 0 | 0 | 117.5 | ||||
| 1200 | S | 25.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | 73.8 | 146.3 | 111.3 | 88.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1201 | N | 26.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | trans | 85 | 95.8 | 139.5 | -75.3 | -37 | 0 | 0 | 0 | 120.2 | ||||
| 1202 | K | 27.1 | Very low | 28.8 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | 105.4 | 103.8 | 105.1 | -85.2 | 177.7 | 179.5 | -176.6 | 0 | 118.9 | |||||
| 1203 | N | 26.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 125 Ų | 125 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | 84 | 104.7 | 113.1 | -74.6 | 28.3 | 0 | 0 | 0 | 119.9 | |||||
| 1204 | N | 27.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | 80.4 | 107.9 | 109.6 | -66.6 | 13.7 | 0 | 0 | 0 | 119.7 | |||||
| 1205 | N | 28.4 | Very low | 29 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | 84.6 | 127.2 | 109.2 | -66.6 | 7.7 | 0 | 0 | 0 | 119.8 | |||||
| 1206 | N | 28.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | 80.1 | 126.2 | 129.4 | -65.5 | 16.9 | 0 | 0 | 0 | 116.2 | |||||
| 1207 | N | 30.8 | Very low | 29 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | 68.5 | 142.5 | 63.1 | -63.2 | 30.3 | 0 | 0 | 0 | 111.2 | |||||
| 1208 | H | 31.7 | Very low | 29 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 64% | 0.644 | 67% | 0.673 | S | S | * | * | cis | -147.5 | 171 | 12.3 | -111.6 | -53.2 | 0 | 0 | 0 | 110.3 | ||||
| 1209 | D | 33.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 60% | 0.599 | 68% | 0.677 | S | S | * | * | trans | 26.2 | 141.7 | 133.3 | -39.3 | -16.6 | 0 | 0 | 0 | 118.8 | ||||
| 1210 | N | 30.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | -165.6 | 145.6 | 66.5 | -84.3 | -87.2 | 0 | 0 | 0 | 107.9 | Y1212 | N1210-Y1212 HydrophobicContact CB-CD2 4.4Å; N1210-Y1212 HydrophobicContact CB-CE2 4.47Å | |||
| 1211 | N | 33.2 | Very low | 29.3 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | 66.3 | 129.3 | 52.6 | -164.7 | 27.8 | 0 | 0 | 0 | 113.5 | |||||
| 1212 | Y | 29.6 | Very low | 29.5 | Very low | 180 Ų | 180 | 130 Ų | 130 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | 162.2 | 86.5 | 133.5 | -88.6 | -66.1 | 0 | 0 | 0 | 112.1 | N1210 | N1210-Y1212 HydrophobicContact CB-CD2 4.4Å; N1210-Y1212 HydrophobicContact CB-CE2 4.47Å | ||
| 1213 | D | 31.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | 63 | 167.5 | 102.8 | -153.6 | 9.3 | 0 | 0 | 0 | 121.5 | |||||
| 1214 | V | 30.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | 83.6 | 84.5 | 159.2 | -173.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1215 | N | 30.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | 80.8 | 130.2 | 112.1 | -73.3 | -14.6 | 0 | 0 | 0 | 126.4 | |||||
| 1216 | F | 25.8 | Very low | 29.6 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | 74.8 | 153.1 | 130 | -84.1 | -61.8 | 0 | 0 | 0 | 124 | ||||
| 1217 | V | 31.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | 84.3 | 124.8 | 164.1 | -158.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1218 | S | 26.9 | Very low | 29.5 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | trans | -79.5 | 162.4 | 173.2 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1219 | I | 30.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | -171.2 | 145.3 | 120.5 | -97.1 | 155.4 | 0 | 0 | 0 | 111.4 | |||||
| 1220 | Q | 27.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | -40.2 | 161.3 | 173.8 | -99.9 | -179.6 | -56.2 | 0 | 0 | 119.7 | ||||
| 1221 | N | 28.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | 73.5 | 131.6 | 142 | -66.7 | -4.8 | 0 | 0 | 0 | 118.9 | ||||
| 1222 | S | 28.8 | Very low | 29.2 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | cis | 165.8 | 174.4 | 9.1 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1223 | L | 27.8 | Very low | 29.1 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | trans | 73.6 | 109 | 151.1 | -67.2 | 163.4 | 0 | 0 | 0 | 120.1 | ||||
| 1224 | N | 28 | Very low | 29.1 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | 83.2 | 119 | 120.8 | -72.3 | 8.8 | 0 | 0 | 0 | 122.4 | |||||
| 1225 | N | 28 | Very low | 29.1 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 70.7 | 157.5 | 132.9 | -52.1 | -15.7 | 0 | 0 | 0 | 116.6 | ||||
| 1226 | S | 27.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | cis | -151.4 | 149.2 | 12.5 | -27.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1227 | I | 27.5 | Very low | 29.4 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 39 | 127.4 | 130.3 | -43.5 | 160.9 | 0 | 0 | 0 | 118.5 | ||||
| 1228 | I | 31.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | 170.7 | 106 | 127.1 | -86.1 | 160.1 | 0 | 0 | 0 | 109.4 | |||||
| 1229 | S | 30.9 | Very low | 29.4 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -83 | 173.4 | 153.3 | 52.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1230 | P | 35.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | cis | -153.9 | -166.8 | 32.7 | 46.7 | -24.6 | 0 | 0 | 0 | 117.4 | ||||
| 1231 | D | 28 | Very low | 29.5 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | 60 | 161.9 | 148.6 | -57.3 | -28.7 | 0 | 0 | 0 | 119.9 | ||||
| 1232 | E | 28.2 | Very low | 29.6 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | cis | -155 | 143.1 | 4.3 | -146.9 | 179.2 | -170.5 | 0 | 0 | 112.5 | ||||
| 1233 | S | 28.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | trans | 64.3 | 163.1 | 150.9 | 82 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1234 | G | 30.9 | Very low | 29.6 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | 122.4 | 85.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1235 | S | 30.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | trans | -127.5 | 178.2 | 165.2 | 81.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1236 | P | 34.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | cis | -138.7 | -163.5 | -17.5 | 40.2 | -20.9 | 0 | 0 | 0 | 113.9 | ||||
| 1237 | R | 28.4 | Very low | 29.8 | Very low | 221 Ų | 221 | 126.8 Ų | 126.8 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | 73 | 101.4 | 147.7 | -79.1 | 179.9 | -178.5 | 171.7 | 1.5 | 123.6 | ||||
| 1238 | S | 29 | Very low | 29.7 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | 67 | 157.8 | 113.3 | 73.2 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1239 | I | 28.5 | Very low | 29.6 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | 89.1 | 128.1 | 160.4 | -61.6 | 163.3 | 0 | 0 | 0 | 117 | ||||
| 1240 | Y | 28.1 | Very low | 29.4 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | cis | -167 | -163.5 | -15.9 | -136.9 | -100.8 | 0 | 0 | 0 | 111.5 | D1659 | Y1240-D1659 CarbonylContact O-C 3.58Š| ||
| 1241 | Q | 31.5 | Very low | 29 | Very low | 51 Ų | 51 | 128.2 Ų | 128.2 | 24% | 0.238 | 73% | 0.73 | C | S | . | * | trans | -54.3 | 159.7 | -171.3 | -76.5 | 169.6 | -87.4 | 0 | 0 | 126.6 | D1659 S1660 G1661 K1662 | Q1241-D1659 CarbonylContact C-O 3.49Å; Q1241-D1659 VanDerWaalsContact C-O 3.23Å; Q1241-D1659 CarbonylContact O-C 3.6Å; Q1241-S1660 CarbonylContact O-C 3.56Å; Q1241-S1660 WeakPolarHBondContact O-CA 3.49Å; Q1241-S1660 PolarHBondContact O-N 2.78Å; Q1241-G1661 VanDerWaalsContact CB-C 3.47Å; Q1241-G1661 WeakPolarHBondContact CB-O 3.21Å; Q1241-G1661 PolarHBondContact O-N 3.27Å; Q1241-G1661 VanDerWaalsContact O-N 3.07Å; Q1241-G1661 VanDerWaalsContact O-O 3.1Å; Q1241-K1662 PolarHBondContact NE2-O 3.13Å; Q1241-K1662 VanDerWaalsContact OE1-N 3.09Å | ||
| 1242 | F | 30.3 | Very low | 29 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | 71.4 | 141.9 | 136.8 | -74.9 | -148.4 | 0 | 0 | 0 | 120.4 | ||||
| 1243 | I | 29.4 | Very low | 29.1 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | -152.3 | 167.8 | 73.2 | -93.9 | 176.5 | 0 | 0 | 0 | 114.8 | |||||
| 1244 | T | 28.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | -74.9 | 148.4 | -169.7 | 55 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1245 | S | 27.8 | Very low | 29.2 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 176.5 | 107.5 | 130.1 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1246 | S | 26.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | 70.9 | 93.9 | 76.6 | 74.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1247 | S | 31.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -147.6 | 133.7 | 157.4 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1248 | S | 26.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | trans | -138.6 | 114.8 | -171.2 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1249 | I | 28.8 | Very low | 29.5 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -144.4 | 112.4 | 174.9 | -48.6 | -178.2 | 0 | 0 | 0 | 104.3 | ||||
| 1250 | Q | 26.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | 61.8 | 145.3 | 71.7 | -68.2 | -151.2 | -9.9 | 0 | 0 | 113.4 | |||||
| 1251 | V | 26.5 | Very low | 29.5 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | cis | -159.6 | 137.7 | -9.2 | 119.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1252 | T | 29 | Very low | 29.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | -165.7 | 129.2 | 103.8 | 29.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1253 | Q | 28.8 | Very low | 29.1 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 63.8 | 131.5 | 90.5 | -61.6 | 174.2 | 5.8 | 0 | 0 | 113.9 | |||||
| 1254 | T | 31.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | cis | -134.8 | 154 | 34.2 | 43.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1255 | T | 31.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -124.6 | 164.8 | 168.1 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1256 | P | 34.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | -137.3 | 152.7 | 100 | 18.4 | 3.6 | 0 | 0 | 0 | 112.6 | |||||
| 1257 | T | 31.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | cis | 70.8 | 152.8 | 42.8 | 77 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1258 | V | 31.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | cis | -158.7 | 154.2 | 4.3 | 86.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1259 | A | 30.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -141 | -96.8 | -37.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1260 | K | 29.5 | Very low | 28.5 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | cis | -161.7 | 104 | -8.7 | -170.3 | -174.1 | 179.9 | -176 | 0 | 113.2 | ||||
| 1261 | T | 26.6 | Very low | 28.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | 35.5 | 128.3 | 136.6 | -35.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1262 | I | 28.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 86% | 0.862 | 74% | 0.741 | S | S | * | * | -170 | 163.9 | 122.9 | -96.2 | 156.3 | 0 | 0 | 0 | 110.3 | |||||
| 1263 | T | 25.5 | Very low | 28.7 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | trans | -122 | 178.1 | -154.2 | 55.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1264 | T | 26.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | 75.9 | 115.7 | 145.4 | 36.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1265 | D | 25.2 | Very low | 28.6 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 74.5 | 159.1 | 132.3 | -60.8 | -20.8 | 0 | 0 | 0 | 122.7 | ||||
| 1266 | Y | 26.1 | Very low | 28.5 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 140 | 174 | -66.3 | -100 | 0 | 0 | 0 | 117.3 | ||||
| 1267 | K | 26.6 | Very low | 28.2 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | cis | -174.9 | 141.1 | -33.1 | -126.5 | -174.2 | -166.8 | 171 | 0 | 108.4 | ||||
| 1268 | Q | 26.2 | Very low | 28.2 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 58% | 0.579 | 73% | 0.727 | S | S | * | * | trans | 74 | 149.2 | 137.2 | -154.8 | 172.8 | -12.8 | 0 | 0 | 119.6 | ||||
| 1269 | Y | 29.9 | Very low | 28.2 | Very low | 204 Ų | 204 | 140 Ų | 140 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | 68.3 | 135.3 | -178.9 | -46 | -75.6 | 0 | 0 | 0 | 114.5 | ||||
| 1270 | G | 27.5 | Very low | 28 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | cis | 116.5 | 132.1 | 11.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1271 | C | 26.9 | Very low | 27.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | cis | -138.1 | 149.5 | 9.3 | -71 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1272 | N | 28.7 | Very low | 28 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | 60.4 | 96.9 | 65.1 | -178.2 | 32.3 | 0 | 0 | 0 | 116.4 | |||||
| 1273 | T | 30 | Very low | 28.1 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -172.9 | 134.5 | 133.7 | 30.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1274 | R | 28.9 | Very low | 28.4 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | 63.2 | 143.3 | 65.2 | -68 | 176.4 | 163.4 | -117.8 | 6.2 | 113 | |||||
| 1275 | E | 30.6 | Very low | 28.7 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | cis | -161.9 | 174 | -5.7 | -110.7 | 155 | 166.1 | 0 | 0 | 106.1 | ||||
| 1276 | I | 29.1 | Very low | 29.3 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | cis | -142.5 | -123.9 | 20 | -166.1 | 166.1 | 0 | 0 | 0 | 111.5 | ||||
| 1277 | N | 27.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | -160.7 | -175.4 | -175.3 | -162.3 | -24 | 0 | 0 | 0 | 108.8 | ||||
| 1278 | Y | 31.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | trans | 73.1 | 157 | 166.1 | -80.1 | -145.7 | 0 | 0 | 0 | 117.8 | Y1472 | Y1278-Y1472 PolarHBondContact O-OH 2.82Š| ||
| 1279 | K | 30.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 62% | 0.617 | 72% | 0.718 | S | S | * | * | cis | -163.8 | 152.6 | -23.7 | -119.4 | -172.1 | -169.2 | 172.9 | 0 | 112.8 | ||||
| 1280 | F | 27.5 | Very low | 30.3 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 77% | 0.768 | 71% | 0.712 | S | S | * | * | trans | 36.1 | 123.9 | 141.6 | -101 | -114.5 | 0 | 0 | 0 | 124.5 | ||||
| 1281 | N | 27 | Very low | 30.5 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | 23.3 | 128.2 | 133.6 | -55.9 | -4.7 | 0 | 0 | 0 | 122.3 | ||||
| 1282 | Q | 29.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | 163.9 | 169.8 | 103.2 | -88 | -140.8 | 49.6 | 0 | 0 | 114.2 | |||||
| 1283 | L | 29.1 | Very low | 31.2 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | 80.3 | 144.4 | 164 | -54.3 | 174.6 | 0 | 0 | 0 | 119.6 | ||||
| 1284 | N | 31.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | cis | -167 | 138.8 | -38.3 | -144.1 | -19.2 | 0 | 0 | 0 | 112.6 | ||||
| 1285 | S | 32.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 61.4 | 172.6 | 144.8 | -87.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1286 | P | 38.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | cis | -131.6 | -173.3 | -12.3 | 26.6 | -2.9 | 0 | 0 | 0 | 115 | ||||
| 1287 | E | 33.6 | Very low | 31.1 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | 78.3 | 143.5 | 157.5 | -54.9 | -150.7 | 175.3 | 0 | 0 | 119.1 | ||||
| 1288 | N | 32.7 | Very low | 31 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 52% | 0.519 | 70% | 0.704 | S | S | . | * | cis | -158 | 147.1 | -10 | -126.6 | -47.5 | 0 | 0 | 0 | 111.7 | ||||
| 1289 | R | 31.8 | Very low | 30.8 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 69 | 121 | 149.2 | -75.9 | 157.9 | -158 | -129.4 | 1.6 | 121.2 | ||||
| 1290 | N | 32.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | 78 | 143.2 | 89.5 | -69.8 | 48.1 | 0 | 0 | 0 | 113.2 | |||||
| 1291 | D | 32.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | cis | -163.3 | 168 | -3.3 | -102.8 | -18.6 | 0 | 0 | 0 | 111.8 | ||||
| 1292 | H | 35.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | 61.1 | 112.9 | 152.9 | -74.6 | -57.3 | 0 | 0 | 0 | 123.8 | ||||
| 1293 | D | 33.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | 54 | 106.3 | 121.6 | -70.8 | -67.6 | 0 | 0 | 0 | 124 | |||||
| 1294 | R | 29.9 | Very low | 30.4 | Very low | 228 Ų | 228 | 137.9 Ų | 137.9 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | 66.4 | 99.5 | 106 | -151.8 | 172 | -166.7 | 164.9 | 2.3 | 120.3 | |||||
| 1295 | A | 29.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | 87.4 | 160.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1296 | N | 29.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | 80 | 101 | 169.9 | -71.4 | -4.5 | 0 | 0 | 0 | 121.4 | ||||
| 1297 | V | 27.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | 82.1 | 130.9 | 118.3 | 171.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1298 | S | 26.3 | Very low | 29.5 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | 78.1 | 123.5 | 155.3 | -78.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1299 | M | 26.6 | Very low | 29.2 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 82% | 0.823 | 71% | 0.711 | S | S | * | * | 46 | 122.6 | 124.4 | -53.3 | -172.4 | -82.3 | 0 | 0 | 119.5 | |||||
| 1300 | V | 29.6 | Very low | 29 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | -164.4 | 158.1 | 87.3 | 147.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1301 | F | 24.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.772 | 72% | 0.719 | S | S | * | * | trans | -75.5 | 155.4 | -174 | -94 | -130.1 | 0 | 0 | 0 | 115.2 | ||||
| 1302 | Q | 26.4 | Very low | 28.3 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 77.8 | 121.9 | 136.3 | -82.6 | -174.4 | 11.1 | 0 | 0 | 122.8 | ||||
| 1303 | K | 27.1 | Very low | 28.1 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 74% | 0.735 | 73% | 0.729 | S | S | * | * | 118.9 | 135.5 | 105 | -98.3 | -175.1 | 175.5 | 177.4 | 0 | 119.1 | |||||
| 1304 | V | 28.1 | Very low | 27.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | 87.1 | 87.4 | 135.7 | 168.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1305 | N | 27.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | 99.4 | 113.9 | 108.8 | -76.7 | 22.9 | 0 | 0 | 0 | 121.4 | |||||
| 1306 | E | 28.8 | Very low | 27.5 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | 98.6 | 128.3 | 111 | -78.2 | 173.7 | 151.9 | 0 | 0 | 121.9 | |||||
| 1307 | H | 30.9 | Very low | 27.5 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | 70.9 | 142.9 | 149.1 | -67.9 | 46.1 | 0 | 0 | 0 | 116.3 | ||||
| 1308 | N | 28.7 | Very low | 27.5 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | cis | -152.2 | 141.7 | 2.4 | -119.7 | -5.5 | 0 | 0 | 0 | 114 | ||||
| 1309 | I | 27.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 31.8 | 114.9 | 133.8 | -54.2 | 166.4 | 0 | 0 | 0 | 118.8 | ||||
| 1310 | S | 26.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | 177.3 | 119.8 | 105.2 | 48.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1311 | M | 24.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | trans | 26.9 | 152.6 | 140.4 | -51.9 | -174.1 | 87.8 | 0 | 0 | 124.2 | ||||
| 1312 | N | 25.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | trans | 83.5 | 70.5 | 152.5 | -61.5 | -15.7 | 0 | 0 | 0 | 120.5 | ||||
| 1313 | K | 29.9 | Very low | 27.6 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -150.3 | 132.1 | 134.3 | -94.2 | 171.7 | -176.7 | -178 | 0 | 105.8 | ||||
| 1314 | F | 24.6 | Very low | 27.7 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | cis | 54.7 | 83.3 | 38.9 | -90.9 | -68.5 | 0 | 0 | 0 | 113.6 | ||||
| 1315 | D | 30.4 | Very low | 27.8 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -144.7 | 119 | 150.5 | -90 | -51.8 | 0 | 0 | 0 | 108.1 | ||||
| 1316 | D | 26.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | -76.9 | 133.8 | 174.8 | -60.7 | -68.2 | 0 | 0 | 0 | 110.4 | ||||
| 1317 | Y | 30 | Very low | 27.9 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -131.7 | 119.4 | 153.8 | -93.2 | -83.5 | 0 | 0 | 0 | 110.3 | ||||
| 1318 | Q | 26.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | trans | -97.2 | 131.4 | -174.1 | -58.3 | 171.8 | -73.3 | 0 | 0 | 110.1 | P1480 | Q1318-P1480 VanDerWaalsContact OE1-CG 3.23Š| ||
| 1319 | T | 28.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -128.3 | 82.4 | 158.4 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1320 | L | 25.9 | Very low | 27.9 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 60% | 0.602 | 77% | 0.77 | S | S | * | * | trans | -85.1 | 161.8 | 160.1 | -102.8 | 163 | 0 | 0 | 0 | 109.1 | T1481 | L1320-T1481 WeakPolarHBondContact CB-OG1 3.42Š| ||
| 1321 | D | 27 | Very low | 28 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 54% | 0.54 | 77% | 0.766 | S | S | . | * | trans | 107 | 73.8 | 166.6 | -58.1 | 1.9 | 0 | 0 | 0 | 116.2 | T1481 | D1321-T1481 VanDerWaalsContact OD1-CB 3.25Å; D1321-T1481 WeakPolarHBondContact OD1-CB 3.2Å; D1321-T1481 PolarHBondContact OD1-OG1 3.44Å; D1321-T1481 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 1322 | Y | 29.2 | Very low | 28 | Very low | 234 Ų | 234 | 145.2 Ų | 145.2 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | trans | -149.6 | 87.9 | 142.6 | -111.6 | -78.1 | 0 | 0 | 0 | 110.1 | ||||
| 1323 | L | 26.3 | Very low | 28.2 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -122.8 | 111.4 | 164.6 | -96.8 | 172.3 | 0 | 0 | 0 | 107.5 | ||||
| 1324 | G | 28.5 | Very low | 27.9 | Very low | 66 Ų | 66 | 146.9 Ų | 146.9 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | -136.4 | 44.8 | -156.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1325 | L | 29.2 | Very low | 28.1 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | 55.5 | 102.2 | 157.1 | -60 | 169.3 | 0 | 0 | 0 | 118.4 | ||||
| 1326 | V | 29.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -97 | 146.6 | 149.8 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1327 | S | 29.8 | Very low | 27.9 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 133.5 | -170.4 | -179.7 | 0 | 0 | 0 | 0 | 114.5 | T1329 | S1327-T1329 PolarHBondContact O-N 2.94Å; S1327-T1329 PolarHBondContact OG-OG1 3.04Å | ||
| 1328 | P | 27.6 | Very low | 28 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -88 | 101.6 | 171.9 | 33.8 | -31.3 | 0 | 0 | 0 | 111.6 | ||||
| 1329 | T | 31.3 | Very low | 28 | Very low | 99 Ų | 99 | 145 Ų | 145 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | trans | -127.8 | 99.8 | -179.5 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | S1327 | S1327-T1329 PolarHBondContact O-N 2.94Å; S1327-T1329 PolarHBondContact OG-OG1 3.04Å | ||
| 1330 | I | 28.5 | Very low | 28.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 69.3 | 139.4 | 154.5 | -62 | 171.2 | 0 | 0 | 0 | 114.4 | ||||
| 1331 | L | 28.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | cis | -142.4 | 141.9 | 19.4 | -156 | 141.6 | 0 | 0 | 0 | 111.6 | K1333 | L1331-K1333 HydrophobicContact CD2-CD 4.36Å; L1331-K1333 HydrophobicContact CD2-CG 3.91Å | ||
| 1332 | N | 26.2 | Very low | 28.5 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -84.6 | 115.4 | 175.3 | -178.2 | 5.2 | 0 | 0 | 0 | 112.1 | ||||
| 1333 | K | 28.4 | Very low | 28.4 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 85.4 | 167.4 | -92 | -173.4 | 176.8 | 178 | 0 | 112.2 | L1331 | L1331-K1333 HydrophobicContact CD2-CD 4.36Å; L1331-K1333 HydrophobicContact CD2-CG 3.91Å | ||
| 1334 | Q | 25.1 | Very low | 28.5 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -76.2 | 126.2 | 152.5 | -73.6 | -173.4 | -19.5 | 0 | 0 | 109.9 | ||||
| 1335 | S | 28.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -130.4 | 103.3 | 162 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1336 | V | 24.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -72.3 | 129.1 | -179 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1337 | Y | 28.3 | Very low | 28 | Very low | 213 Ų | 213 | 141.6 Ų | 141.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -139.6 | 112.2 | 156.8 | -111.9 | -84.1 | 0 | 0 | 0 | 113.4 | ||||
| 1338 | H | 31.5 | Very low | 27.8 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 52.8 | 118.5 | 151.1 | -81.7 | -99.7 | 0 | 0 | 0 | 123.1 | ||||
| 1339 | K | 26.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | trans | -57.1 | 151.4 | 160.1 | -57.7 | 169.5 | 172.6 | -177.5 | 0 | 112.9 | ||||
| 1340 | N | 31.5 | Very low | 27.6 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | -173.6 | 97.4 | 109.3 | -88.2 | -17.1 | 0 | 0 | 0 | 109.3 | |||||
| 1341 | H | 29.1 | Very low | 27.6 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | 57.8 | 92.6 | 92.6 | -76.4 | -65.4 | 0 | 0 | 0 | 115.3 | |||||
| 1342 | G | 30.9 | Very low | 27.5 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | -133.9 | 110.6 | 150 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1343 | L | 26.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -87.5 | 130 | -175 | -78 | 81.7 | 0 | 0 | 0 | 111.5 | T1345 | L1343-T1345 HydrophobicContact CD2-CG2 4.32Š| ||
| 1344 | V | 28.4 | Very low | 27.5 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -123.4 | 135.3 | 137.3 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1345 | T | 25.5 | Very low | 27.5 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -93.4 | 117.8 | -164 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | L1343 S1347 | L1343-T1345 HydrophobicContact CD2-CG2 4.32Å; T1345-S1347 PolarHBondContact O-N 3.4Å | ||
| 1346 | Y | 25.1 | Very low | 27.5 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | trans | -77.7 | 99.1 | 147.3 | -89.9 | -86.7 | 0 | 0 | 0 | 108.4 | ||||
| 1347 | S | 26.3 | Very low | 27.6 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -94 | 131.7 | 171 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | T1345 H1349 | T1345-S1347 PolarHBondContact O-N 3.4Å; S1347-H1349 PolarHBondContact O-N 3.14Å | ||
| 1348 | P | 26.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | -83.9 | 116.3 | -168.4 | 31.4 | -34.2 | 0 | 0 | 0 | 112.5 | I1350 | P1348-I1350 VanDerWaalsContact C-N 3.28Å; P1348-I1350 PolarHBondContact O-N 2.96Å | ||
| 1349 | H | 30.3 | Very low | 27.2 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -78.4 | 81.8 | 166.6 | -98.9 | -65.2 | 0 | 0 | 0 | 111.8 | S1347 | S1347-H1349 PolarHBondContact O-N 3.14Š| ||
| 1350 | I | 25.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 165.3 | 154.1 | -60.3 | 166.8 | 0 | 0 | 0 | 108.5 | P1348 | P1348-I1350 VanDerWaalsContact C-N 3.28Å; P1348-I1350 PolarHBondContact O-N 2.96Å | ||
| 1351 | M | 27 | Very low | 27.2 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | 95 | 129.7 | 174 | -53 | -179 | -167.6 | 0 | 0 | 114.1 | ||||
| 1352 | N | 26.8 | Very low | 27.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | cis | -153.4 | 135 | -0.9 | -119.2 | -17.8 | 0 | 0 | 0 | 112.7 | ||||
| 1353 | M | 24.2 | Very low | 27 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 93% | 0.931 | 77% | 0.765 | S | S | * | * | trans | -137.3 | 61.6 | 166.1 | -113.3 | -73 | -170.2 | 0 | 0 | 110.9 | ||||
| 1354 | P | 30.6 | Very low | 27 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 57% | 0.571 | 77% | 0.771 | S | S | * | * | trans | -72.9 | 135.2 | 167.2 | 32 | -32.8 | 0 | 0 | 0 | 109.9 | L1356 | P1354-L1356 PolarHBondContact O-N 3.02Š| ||
| 1355 | K | 25.2 | Very low | 27 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -61 | 122.1 | 161.2 | -68.2 | 174.1 | 177.8 | 174.2 | 0 | 108.4 | ||||
| 1356 | L | 27.4 | Very low | 27 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -172.3 | 102.3 | 154.2 | -102.1 | 157.6 | 0 | 0 | 0 | 112.5 | P1354 | P1354-L1356 PolarHBondContact O-N 3.02Š| ||
| 1357 | I | 26.9 | Very low | 27.1 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 66.1 | 137.2 | 138.1 | -66 | 177 | 0 | 0 | 0 | 121.7 | ||||
| 1358 | S | 26.1 | Very low | 27.1 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 64.8 | 102.4 | 156.3 | 68.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1359 | L | 24.8 | Very low | 27.4 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | -31.6 | 147.1 | 128.5 | -69.5 | 158.9 | 0 | 0 | 0 | 113.3 | |||||
| 1360 | P | 31.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | -128.5 | 140.9 | 73.8 | 21 | -1.7 | 0 | 0 | 0 | 113.1 | |||||
| 1361 | S | 26.6 | Very low | 27.4 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | 76.3 | 104.3 | 40.6 | 84.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1362 | G | 27.4 | Very low | 27.7 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | 119.8 | 130.7 | 154 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1363 | G | 28.7 | Very low | 27.6 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 126.6 | 80.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1364 | L | 26.8 | Very low | 28 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | 61.8 | 124.1 | 85.3 | -65.4 | 162.3 | 0 | 0 | 0 | 111.7 | |||||
| 1365 | T | 28.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -144.6 | 121.8 | 27.8 | 46 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1366 | T | 26.2 | Very low | 28.1 | Very low | 105 Ų | 105 | 131 Ų | 131 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | 55.3 | 102.5 | 91.6 | 64.6 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1367 | F | 26.8 | Very low | 28.2 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | -171.6 | 118.2 | 139.4 | -93.4 | -68.8 | 0 | 0 | 0 | 106.3 | ||||
| 1368 | N | 27 | Very low | 28.2 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | 80.3 | 75.6 | 9.5 | -153 | 25.4 | 0 | 0 | 0 | 117.4 | ||||
| 1369 | H | 31.2 | Very low | 28.3 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -109 | 122.5 | 135.9 | -90.2 | -83 | 0 | 0 | 0 | 106.7 | ||||
| 1370 | Q | 29.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | 64.2 | 129.9 | 68.5 | -66.9 | -178.5 | -6.2 | 0 | 0 | 111.5 | |||||
| 1371 | N | 27.5 | Very low | 28.2 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | cis | 134.7 | 93.9 | 15 | -97.2 | -4.4 | 0 | 0 | 0 | 105.6 | ||||
| 1372 | A | 31.3 | Very low | 28.4 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | -162 | 113 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1373 | I | 26.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | cis | 68 | 82 | 37.5 | -45.9 | -179.9 | 0 | 0 | 0 | 112.7 | ||||
| 1374 | H | 31.8 | Very low | 28.4 | Very low | 178 Ų | 178 | 138 Ų | 138 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | -157.8 | 120.3 | 132.6 | -105.1 | -87.2 | 0 | 0 | 0 | 105 | ||||
| 1375 | T | 28.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 53% | 0.534 | 72% | 0.717 | S | S | . | * | 42 | 118.8 | 61.5 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | N1377 | T1375-N1377 HydrophobicContact CG2-CB 4.16Š| |||
| 1376 | E | 30.3 | Very low | 28.5 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | cis | -107.7 | 154.3 | 31.6 | -54.8 | 139.1 | 164.7 | 0 | 0 | 114.4 | ||||
| 1377 | N | 28.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 54% | 0.54 | 72% | 0.724 | S | S | . | * | cis | 80.4 | 87.7 | -13.8 | -137.8 | 1.3 | 0 | 0 | 0 | 120.6 | T1375 | T1375-N1377 HydrophobicContact CG2-CB 4.16Š| ||
| 1378 | K | 28.4 | Very low | 29 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | 71 | 156.9 | 156 | -55.2 | 156 | -179.6 | 169.7 | 0 | 114.7 | ||||
| 1379 | Q | 28 | Very low | 29.2 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 64% | 0.64 | 71% | 0.707 | S | S | * | * | cis | -164.1 | 148.2 | 48 | -68.2 | -179.2 | 16.6 | 0 | 0 | 113.1 | F1381 | Q1379-F1381 HydrophobicContact CB-CD2 3.81Å; Q1379-F1381 HydrophobicContact CB-CE2 4.09Å; Q1379-F1381 VanDerWaalsContact CD-CE2 3.44Å; Q1379-F1381 HydrophobicContact CG-CD2 3.98Å; Q1379-F1381 HydrophobicContact CG-CE2 3.71Å; Q1379-F1381 VanDerWaalsContact OE1-CE2 3.28Å | ||
| 1380 | L | 28.1 | Very low | 29 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | -164.1 | 112.1 | 127.4 | -97.7 | 151.2 | 0 | 0 | 0 | 104.8 | |||||
| 1381 | F | 26.5 | Very low | 29 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 61% | 0.614 | 71% | 0.709 | S | S | * | * | 53.3 | 119 | 54.5 | -70.9 | -118 | 0 | 0 | 0 | 109.9 | Q1379 | Q1379-F1381 HydrophobicContact CB-CD2 3.81Å; Q1379-F1381 HydrophobicContact CB-CE2 4.09Å; Q1379-F1381 VanDerWaalsContact CD-CE2 3.44Å; Q1379-F1381 HydrophobicContact CG-CD2 3.98Å; Q1379-F1381 HydrophobicContact CG-CE2 3.71Å; Q1379-F1381 VanDerWaalsContact OE1-CE2 3.28Å | |||
| 1382 | T | 29.3 | Very low | 28.9 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | cis | -139.7 | -173.6 | 21.9 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1383 | S | 29.1 | Very low | 28.7 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | cis | -148.5 | 130.3 | 5 | -26.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1384 | I | 27.6 | Very low | 28.7 | Very low | 136 Ų | 136 | 134 Ų | 134 | 70% | 0.697 | 70% | 0.699 | S | S | * | * | 71.6 | 111.1 | 81.6 | -62.2 | 164.9 | 0 | 0 | 0 | 114.2 | |||||
| 1385 | H | 28.4 | Very low | 28.4 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | 86.3 | 141.2 | 146.6 | -80 | -24 | 0 | 0 | 0 | 124.6 | ||||
| 1386 | Y | 29.3 | Very low | 28.4 | Very low | 187 Ų | 187 | 139 Ų | 139 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | 66.2 | 87.9 | 148.6 | -85.2 | -111.7 | 0 | 0 | 0 | 120.1 | P1388 | Y1386-P1388 WeakPolarHBondContact O-CD 3.15Š| ||
| 1387 | N | 33.1 | Very low | 28.2 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | -32.2 | 128.1 | 116.7 | 173.8 | 39 | 0 | 0 | 0 | 111 | |||||
| 1388 | P | 31 | Very low | 28.2 | Very low | 82 Ų | 82 | 135 Ų | 135 | 53% | 0.532 | 70% | 0.696 | S | S | . | * | -145.5 | 165.5 | 113.5 | 40.6 | -28.2 | 0 | 0 | 0 | 114.7 | Y1386 | Y1386-P1388 WeakPolarHBondContact O-CD 3.15Š| |||
| 1389 | N | 29.7 | Very low | 28.1 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | trans | 74 | 136.1 | 152.8 | -65.3 | -1 | 0 | 0 | 0 | 116.4 | ||||
| 1390 | L | 27.7 | Very low | 28 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | 64.7 | 133.8 | 56.2 | -61.3 | 155.5 | 0 | 0 | 0 | 110.5 | |||||
| 1391 | D | 28.4 | Very low | 28.1 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | cis | -154.4 | 179.1 | 16.2 | -141.1 | -25.5 | 0 | 0 | 0 | 114.3 | ||||
| 1392 | N | 26.5 | Very low | 28.1 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -17.4 | 146.5 | 153.3 | -80.7 | -80.5 | 0 | 0 | 0 | 117.9 | ||||
| 1393 | S | 27 | Very low | 28 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | trans | 71.9 | 169.8 | 152.1 | 89.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1394 | S | 26.1 | Very low | 28 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | cis | -130.1 | 144.9 | 5.8 | -89.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1395 | Y | 26.1 | Very low | 27.9 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | 39.7 | 128.6 | 92.5 | -63 | -83.8 | 0 | 0 | 0 | 112.9 | |||||
| 1396 | Q | 26.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | -144.5 | 135.6 | 52.6 | -81.6 | -168.8 | -6.9 | 0 | 0 | 113.2 | |||||
| 1397 | I | 27.1 | Very low | 28.1 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | 73.3 | 127.8 | 107.1 | -59.4 | 174.9 | 0 | 0 | 0 | 112.4 | |||||
| 1398 | T | 27.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | cis | -132.4 | 147 | 18.8 | -0.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1399 | H | 27.1 | Very low | 27.7 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 57% | 0.574 | 64% | 0.643 | S | S | * | * | 43.9 | 130 | 95 | -60.5 | 6.1 | 0 | 0 | 0 | 113.6 | H1055 | H1055-H1399 PolarHBondContact NE2-O 3.06Š| |||
| 1400 | F | 25.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 120 Ų | 120 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | cis | -166.3 | -177.3 | 17.8 | -111.3 | -30.4 | 0 | 0 | 0 | 108.5 | H1055 P1056 | H1055-F1400 HydrophobicContact CB-CB 4.4Å; H1055-F1400 PolarHBondContact CE1-O 3.01Å; H1055-F1400 PolarHBondContact NE2-N 3.45Å; H1055-F1400 VanDerWaalsContact NE2-N 3.11Å; H1055-F1400 PolarHBondContact NE2-O 3.26Å; P1056-F1400 HydrophobicContact CB-CB 4.38Å; P1056-F1400 HydrophobicContact CG-CD2 3.9Å; P1056-F1400 HydrophobicContact CG-CE2 4.43Å | ||
| 1401 | H | 30.7 | Very low | 27.5 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 32% | 0.324 | 64% | 0.636 | S | S | . | * | 129.1 | 59.5 | 127.8 | -41.7 | 126.4 | 0 | 0 | 0 | 124.3 | P1056 N1057 | P1056-H1401 HydrophobicContact CB-CB 3.29Å; P1056-H1401 WeakPolarHBondContact CB-ND1 3.43Å; N1057-H1401 VanDerWaalsContact CG-NE2 3.26Å; N1057-H1401 PolarHBondContact ND2-CE1 2.86Å; N1057-H1401 PolarHBondContact ND2-NE2 2.89Å; N1057-H1401 VanDerWaalsContact ND2-NE2 3.19Å; N1057-H1401 PolarHBondContact OD1-CD2 3.08Å; N1057-H1401 PolarHBondContact OD1-NE2 3.04Å | |||
| 1402 | S | 26 | Very low | 27.4 | Very low | 52 Ų | 52 | 121.6 Ų | 121.6 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | 56.7 | 130.8 | 126.3 | 71.9 | 0 | 0 | 0 | 0 | 124 | N1057 | N1057-S1402 PolarHBondContact N-OG 3.23Š| |||
| 1403 | Q | 27.5 | Very low | 27.6 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 39% | 0.388 | 64% | 0.64 | S | S | . | * | trans | 64.9 | 161 | 130.2 | -73.3 | 134.1 | 40 | 0 | 0 | 119.7 | N1057 H1058 I1059 | N1057-Q1403 VanDerWaalsContact C-OE1 3.26Å; N1057-Q1403 PolarHBondContact OD1-NE2 2.71Å; H1058-Q1403 VanDerWaalsContact CA-OE1 3.31Å; H1058-Q1403 PolarHBondContact O-OE1 3.2Å; I1059-Q1403 HydrophobicContact CB-CG 4.46Å; I1059-Q1403 HydrophobicContact CG1-CG 3.67Å | ||
| 1404 | S | 28.5 | Very low | 27.6 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | cis | -150.8 | 167.7 | -12.5 | 45.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1405 | Q | 25.9 | Very low | 27.8 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | trans | -44.4 | 168.2 | 147.1 | -69.7 | 172.4 | -31.3 | 0 | 0 | 112.9 | ||||
| 1406 | P | 28.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | cis | -137.4 | -169.7 | 19.9 | 37 | -15.1 | 0 | 0 | 0 | 116 | ||||
| 1407 | Q | 33 | Very low | 28 | Very low | 170 Ų | 170 | 120.9 Ų | 120.9 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -66.2 | 170.4 | 156.1 | -61.1 | -175 | -6.5 | 0 | 0 | 110.7 | ||||
| 1408 | P | 29.9 | Very low | 28 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 64% | 0.643 | S | S | * | * | -143.3 | 146.9 | 104.6 | 37.5 | -24.7 | 0 | 0 | 0 | 116.9 | |||||
| 1409 | M | 26.1 | Very low | 27.9 | Very low | 160 Ų | 160 | 125 Ų | 125 | 79% | 0.788 | 66% | 0.655 | S | S | * | * | trans | 13.8 | 136.6 | 142.1 | -65.2 | -176.4 | -78.3 | 0 | 0 | 122.3 | ||||
| 1410 | S | 25.6 | Very low | 27.9 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | trans | -15.3 | 150.2 | 146.1 | 61.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1411 | N | 27.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | -176.9 | 136.3 | 102.2 | -102.5 | -79.5 | 0 | 0 | 0 | 112.4 | |||||
| 1412 | R | 26.2 | Very low | 28.1 | Very low | 182 Ų | 182 | 127 Ų | 127 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | trans | 58.5 | 140.4 | 147.8 | -50.7 | 163.3 | -163.6 | -163.1 | -1.6 | 116.4 | ||||
| 1413 | Y | 30.8 | Very low | 28.2 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | -160.7 | 152.8 | 52.5 | -96 | -84.6 | 0 | 0 | 0 | 111.5 | |||||
| 1414 | T | 27.9 | Very low | 28.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | 2.6 | 143 | 143.2 | 56 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1415 | T | 30.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | cis | -166.8 | 169.3 | 23.9 | -5.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1416 | L | 24.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | trans | -64.1 | 170.6 | 157 | -88.7 | 85.3 | 0 | 0 | 0 | 112 | ||||
| 1417 | P | 31.8 | Very low | 28.5 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | cis | -138.6 | -157.8 | -12.1 | 32.4 | -8.2 | 0 | 0 | 0 | 113.6 | ||||
| 1418 | T | 26.3 | Very low | 28.4 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | 69.7 | 125.7 | 144.6 | 46.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1419 | F | 25.7 | Very low | 28.4 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | 57 | 113.4 | 137.2 | -79.4 | -77.7 | 0 | 0 | 0 | 122.4 | ||||
| 1420 | S | 26.7 | Very low | 28.6 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | 49.8 | 143.1 | 127.7 | 67.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 1421 | N | 29.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | trans | 72.5 | 147 | 165.8 | -58.3 | -7 | 0 | 0 | 0 | 113.5 | ||||
| 1422 | N | 30.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | cis | -152.6 | 158.5 | 11.9 | -131.6 | 2.4 | 0 | 0 | 0 | 112.1 | ||||
| 1423 | N | 28.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | trans | 59.1 | 136.7 | 141 | -74.3 | 3.8 | 0 | 0 | 0 | 123.3 | ||||
| 1424 | Q | 29.2 | Very low | 28.8 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 72.4 | 147 | 133 | -69 | 169.8 | -41.5 | 0 | 0 | 118.1 | ||||
| 1425 | T | 30 | Very low | 29 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | cis | -159.2 | 138.5 | -3.9 | 13.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1426 | I | 27.8 | Very low | 28.7 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | 56.8 | 154.4 | 130.6 | -55.6 | 177.9 | 0 | 0 | 0 | 118.8 | ||||
| 1427 | C | 30.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 69% | 0.689 | 71% | 0.706 | S | S | * | * | trans | 71.9 | 139.7 | 175.7 | -69.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1428 | D | 30.3 | Very low | 28.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | cis | -161.2 | 159.4 | -23.2 | -119.8 | -19 | 0 | 0 | 0 | 112.7 | ||||
| 1429 | L | 29.6 | Very low | 29.1 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | trans | 42.4 | 144 | 142 | -66.5 | 166.4 | 0 | 0 | 0 | 123.3 | ||||
| 1430 | N | 30.1 | Very low | 29.3 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | 70.2 | 115.6 | 143.5 | -67.7 | -19.4 | 0 | 0 | 0 | 118.6 | ||||
| 1431 | S | 28.7 | Very low | 29.8 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | 91.2 | 169.6 | 54.2 | 80.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 1432 | T | 31.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | trans | 63.3 | 114.4 | -167.1 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1433 | F | 26 | Very low | 30 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | cis | 68.6 | 130.7 | 17.7 | -134.5 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 1434 | I | 28.6 | Very low | 30 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | 77 | 138.2 | 165.2 | -53.1 | -177.7 | 0 | 0 | 0 | 114.9 | ||||
| 1435 | P | 31.3 | Very low | 30.2 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | cis | -132.9 | -170.9 | -18 | 35.8 | -16 | 0 | 0 | 0 | 114.9 | ||||
| 1436 | A | 25.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -76.8 | -151.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1437 | Y | 27.1 | Very low | 30.6 | Very low | 212 Ų | 212 | 129.3 Ų | 129.3 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | 74.8 | 150 | -175.3 | -71.2 | -117.6 | 0 | 0 | 0 | 112.9 | ||||
| 1438 | N | 28.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | cis | -152.6 | 175.9 | 12.9 | -145 | -17.2 | 0 | 0 | 0 | 114.3 | ||||
| 1439 | Q | 33.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | trans | 70.5 | 97.8 | 149.2 | -74 | 153.7 | 23.9 | 0 | 0 | 119.8 | ||||
| 1440 | H | 30.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 82% | 0.819 | 72% | 0.717 | S | S | * | * | 20.7 | 147.7 | 99.3 | -73.4 | -62.9 | 0 | 0 | 0 | 118.3 | |||||
| 1441 | P | 36.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 72% | 0.716 | S | S | * | * | cis | -153.9 | 175.4 | 43.8 | 45.4 | -25.6 | 0 | 0 | 0 | 119.6 | ||||
| 1442 | N | 32.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | trans | 69.1 | 115 | 138.3 | -73.4 | -1 | 0 | 0 | 0 | 122.9 | ||||
| 1443 | N | 31.4 | Very low | 31.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 93 | 142.5 | 113 | -70.4 | -2.1 | 0 | 0 | 0 | 121.4 | |||||
| 1444 | V | 29.6 | Very low | 31.6 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | cis | -165.9 | -169.2 | -22 | 76.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1445 | T | 33.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | 71.5 | 98.1 | 164.5 | 28.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1446 | T | 33.5 | Very low | 31.9 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | 79.9 | 147.6 | 90.7 | 58 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1447 | N | 32.7 | Very low | 32 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -165.4 | 163.9 | 9.6 | -117.5 | -16.2 | 0 | 0 | 0 | 106.9 | ||||
| 1448 | N | 33.4 | Very low | 32 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | cis | -163.8 | 167.9 | 3.3 | -143.8 | -31.9 | 0 | 0 | 0 | 111 | ||||
| 1449 | K | 33.8 | Very low | 31.9 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | trans | 71.1 | 104.4 | 153.7 | -68.2 | 171.2 | -176.3 | -179.4 | 0 | 122.4 | ||||
| 1450 | N | 33.9 | Very low | 31.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | 65.8 | 127.7 | 123.3 | -52.3 | -0.2 | 0 | 0 | 0 | 120.7 | |||||
| 1451 | G | 32.1 | Very low | 31.4 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 170.1 | 160.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1452 | N | 33.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 48.7 | 113.4 | 155.7 | -56.1 | 2.1 | 0 | 0 | 0 | 121.4 | ||||
| 1453 | V | 32 | Very low | 30.7 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | 169.3 | 151.5 | 101.5 | 164.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1454 | M | 29.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -47.5 | 138.4 | -179.3 | -77 | 173.9 | 173.6 | 0 | 0 | 116.2 | ||||
| 1455 | L | 31.5 | Very low | 30.6 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 72.5 | 147.5 | 74 | -109.9 | 94.5 | 0 | 0 | 0 | 114.4 | |||||
| 1456 | P | 32.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | -134.7 | 153.7 | -27.6 | 36.8 | -21.4 | 0 | 0 | 0 | 114.6 | ||||
| 1457 | Y | 28.8 | Very low | 30.4 | Very low | 227 Ų | 227 | 140.3 Ų | 140.3 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | -175.7 | 157.4 | 126.7 | -116.6 | -81.4 | 0 | 0 | 0 | 110.8 | |||||
| 1458 | L | 27.2 | Very low | 30.4 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 55 | 96.4 | 170.5 | -147.5 | 85.6 | 0 | 0 | 0 | 117.5 | ||||
| 1459 | M | 27.3 | Very low | 30.4 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | -146.2 | 152.9 | 143.4 | -89.2 | -134.2 | 173.6 | 0 | 0 | 111.3 | ||||
| 1460 | M | 26.1 | Very low | 30.4 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | trans | -85.2 | 178.9 | 179.3 | -58 | 167 | 71.1 | 0 | 0 | 111.4 | ||||
| 1461 | S | 26.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 75.5 | 155.6 | 164.7 | 83.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1462 | T | 27.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | cis | -140.3 | 150.9 | 21.4 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1463 | S | 28.2 | Very low | 30.5 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 153.8 | 141.7 | 78.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1464 | N | 29.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -157.8 | 155.2 | 34.1 | -117.5 | -39.1 | 0 | 0 | 0 | 112.5 | ||||
| 1465 | V | 29.5 | Very low | 30.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | 64.1 | 135.8 | 147.4 | 165.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1466 | N | 31.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | cis | -168.3 | 164.9 | -8.2 | -98.1 | -3.6 | 0 | 0 | 0 | 106.4 | ||||
| 1467 | L | 30.9 | Very low | 30.7 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -159.8 | 134.6 | -8 | -110.8 | 166.1 | 0 | 0 | 0 | 110 | ||||
| 1468 | N | 33.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 45.7 | 131 | 133.8 | -73.3 | 17 | 0 | 0 | 0 | 125.6 | ||||
| 1469 | N | 33.9 | Very low | 31 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | 83.2 | 146.5 | 127.8 | -64.8 | 1.3 | 0 | 0 | 0 | 121.1 | |||||
| 1470 | I | 32.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | cis | -158.5 | 152.3 | -9.9 | -116.7 | 166.5 | 0 | 0 | 0 | 113.6 | ||||
| 1471 | H | 35 | Very low | 31.4 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | trans | 27.4 | 118.5 | 160.4 | -55.6 | -24.1 | 0 | 0 | 0 | 126.3 | ||||
| 1472 | Y | 28.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | 23.8 | 146.4 | 98.7 | -70.1 | -69.4 | 0 | 0 | 0 | 122 | Y1278 | Y1278-Y1472 PolarHBondContact O-OH 2.82Š| |||
| 1473 | P | 39 | Very low | 31.4 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | -142.9 | -175.3 | 78.6 | 39.2 | -21.1 | 0 | 0 | 0 | 116.8 | |||||
| 1474 | S | 30.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -133.3 | 168.7 | -162.6 | 62.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1475 | K | 33.5 | Very low | 31.7 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -178.1 | 103.1 | 148.9 | -101.2 | 159 | -175.4 | 178.3 | 0 | 112.2 | ||||
| 1476 | T | 33.1 | Very low | 31.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 72% | 0.715 | S | S | * | * | 73.9 | 112.5 | 95.5 | 59.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1477 | G | 32.1 | Very low | 31.4 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -165.5 | 127.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1478 | K | 32.1 | Very low | 31.2 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -86 | 142.5 | -164.8 | -59.7 | 179.5 | 172.3 | -169.4 | 0 | 114.5 | ||||
| 1479 | H | 31.5 | Very low | 31 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | trans | -168.8 | 132.7 | 151.9 | -101.8 | -73.1 | 0 | 0 | 0 | 112.2 | ||||
| 1480 | P | 32.6 | Very low | 30.8 | Very low | 65 Ų | 65 | 142 Ų | 142 | 42% | 0.422 | 72% | 0.718 | S | S | . | * | trans | -135.5 | 164.5 | 157.7 | 37.8 | -24.7 | 0 | 0 | 0 | 112.8 | Q1318 | Q1318-P1480 VanDerWaalsContact OE1-CG 3.23Š| ||
| 1481 | T | 28.3 | Very low | 30.7 | Very low | 55 Ų | 55 | 144.9 Ų | 144.9 | 34% | 0.337 | 73% | 0.729 | S | S | . | * | cis | -146.9 | 130.4 | -28.7 | 28.9 | 0 | 0 | 0 | 0 | 106.7 | L1320 D1321 | L1320-T1481 WeakPolarHBondContact CB-OG1 3.42Å; D1321-T1481 VanDerWaalsContact OD1-CB 3.25Å; D1321-T1481 WeakPolarHBondContact OD1-CB 3.2Å; D1321-T1481 PolarHBondContact OD1-OG1 3.44Å; D1321-T1481 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 1482 | Q | 27.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -162.6 | 150.4 | 167.8 | -80.5 | -158.3 | -15 | 0 | 0 | 111.8 | ||||
| 1483 | S | 27.4 | Very low | 30.7 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | 77.9 | 155.5 | 147.7 | 74.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1484 | H | 32.5 | Very low | 30.2 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | 76.4 | 149.6 | 166.5 | -59.8 | 95.4 | 0 | 0 | 0 | 119.1 | ||||
| 1485 | T | 30.8 | Very low | 30 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | cis | -179.3 | 132.1 | -46 | 31.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1486 | Y | 26.1 | Very low | 30.1 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 74% | 0.737 | 71% | 0.708 | S | S | * | * | 40.4 | 152.2 | 124.1 | -116.5 | -79.4 | 0 | 0 | 0 | 124 | |||||
| 1487 | Y | 28.7 | Very low | 30 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | 80.7 | 147.3 | 162 | -63.7 | -59.9 | 0 | 0 | 0 | 119 | ||||
| 1488 | D | 27.4 | Very low | 29.8 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | cis | -165.1 | 179.8 | -13.2 | 178.8 | 34.4 | 0 | 0 | 0 | 110.3 | R1490 | D1488-R1490 IonicContact OD2-CZ 2.75Å; D1488-R1490 IonicContact OD2-NE 3.73Å; D1488-R1490 IonicContact OD2-NH2 3.76Å; D1488-R1490 PolarHBondContact OD2-NH2 3.24Å | ||
| 1489 | I | 29.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | 100.3 | 81.5 | 153.5 | -45.7 | 178.1 | 0 | 0 | 0 | 119.2 | ||||
| 1490 | R | 30 | Very low | 29.5 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | 47.9 | 113 | 117.8 | -67.5 | 165.4 | -93.6 | -174.2 | -6 | 122.6 | D1488 | D1488-R1490 IonicContact OD2-CZ 2.75Å; D1488-R1490 IonicContact OD2-NE 3.73Å; D1488-R1490 IonicContact OD2-NH2 3.76Å; D1488-R1490 PolarHBondContact OD2-NH2 3.24Å | |||
| 1491 | Q | 29 | Very low | 29.2 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | 15.6 | 165.5 | 125.3 | -83.5 | -173.5 | 1 | 0 | 0 | 123 | |||||
| 1492 | P | 33.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | cis | -138.7 | 176.8 | -18.3 | 37 | -18 | 0 | 0 | 0 | 115.5 | ||||
| 1493 | D | 29.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 152 Ų | 152 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | 165.1 | 137.7 | 116.6 | -101.1 | -11.7 | 0 | 0 | 0 | 119.5 | |||||
| 1494 | L | 29.3 | Very low | 29.2 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 71% | 0.707 | 75% | 0.754 | S | S | * | * | trans | 72.3 | 141.2 | 146.5 | -63.9 | 167.7 | 0 | 0 | 0 | 125 | ||||
| 1495 | K | 26.7 | Very low | 29 | Very low | 198 Ų | 198 | 154.5 Ų | 154.5 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -119.7 | -177.4 | -179.6 | -95.5 | -174.4 | 178.9 | -177.6 | 0 | 109.6 | ||||
| 1496 | P | 35.7 | Very low | 28.8 | Very low | 99 Ų | 99 | 154 Ų | 154 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -140.6 | -161.6 | -39.6 | 40.6 | -21.3 | 0 | 0 | 0 | 113.9 | ||||
| 1497 | N | 30.8 | Very low | 28.9 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 80.2 | 104.2 | 153.7 | -67.8 | 4.5 | 0 | 0 | 0 | 122.6 | ||||
| 1498 | M | 27.1 | Very low | 28.8 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | -162.5 | 156.3 | 120.4 | -112 | -167.2 | 166.3 | 0 | 0 | 111.1 | |||||
| 1499 | P | 27.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -98.7 | 152.3 | -167.3 | 37.6 | -34.7 | 0 | 0 | 0 | 115.1 | ||||
| 1500 | V | 30.4 | Very low | 28.6 | Very low | 148 Ų | 148 | 155 Ų | 155 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -141.8 | 143.4 | 167.7 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1501 | M | 26.2 | Very low | 28.4 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -76.5 | 163.8 | -171.8 | -63.9 | -171.6 | -67.5 | 0 | 0 | 115.1 | ||||
| 1502 | Y | 26.7 | Very low | 28.4 | Very low | 221 Ų | 221 | 147.6 Ų | 147.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -49.1 | 147.9 | 173.4 | -86.3 | -91.3 | 0 | 0 | 0 | 114.5 | ||||
| 1503 | K | 27.4 | Very low | 28.1 | Very low | 204 Ų | 204 | 150.2 Ų | 150.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 63.9 | 159.9 | -146.9 | 168.9 | -167.1 | 171 | 0 | 111.1 | K1505 | K1503-K1505 PolarHBondContact O-N 2.81Š| ||
| 1504 | S | 28.4 | Very low | 27.9 | Very low | 100 Ų | 100 | 154.5 Ų | 154.5 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -61.3 | 118.5 | 173.8 | 36 | 0 | 0 | 0 | 0 | 110.4 | S1506 | S1504-S1506 PolarHBondContact O-N 3.16Š| ||
| 1505 | K | 28.4 | Very low | 27.8 | Very low | 207 Ų | 207 | 157.7 Ų | 157.7 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -86.8 | 98.6 | 160.3 | -92.4 | -172 | 171.4 | -175.6 | 0 | 108 | K1503 Q1507 | K1503-K1505 PolarHBondContact O-N 2.81Å; K1505-Q1507 PolarHBondContact O-N 2.78Å | ||
| 1506 | S | 27.4 | Very low | 27.9 | Very low | 103 Ų | 103 | 156 Ų | 156 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 125.8 | 160.9 | 43.9 | 0 | 0 | 0 | 0 | 109.2 | S1504 | S1504-S1506 PolarHBondContact O-N 3.16Š| ||
| 1507 | Q | 27.9 | Very low | 27.5 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -112.9 | 122.8 | 148.9 | -85.7 | -167.8 | -67.5 | 0 | 0 | 107.1 | K1505 | K1505-Q1507 PolarHBondContact O-N 2.78Š| ||
| 1508 | Q | 26.5 | Very low | 27.6 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -73.8 | 141.8 | -179.6 | -60.5 | 157.4 | -44 | 0 | 0 | 109.6 | ||||
| 1509 | L | 26.6 | Very low | 27.8 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | -160.4 | 119 | 121.1 | -108.6 | 157.7 | 0 | 0 | 0 | 110.1 | |||||
| 1510 | S | 25.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 153.7 Ų | 153.7 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | -96.3 | 177.8 | 173.1 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1511 | T | 27.1 | Very low | 28.2 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 66.2 | 144.6 | 164.7 | 56.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1512 | A | 28 | Very low | 28.6 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -154.3 | 160.8 | -7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1514 | A1512-K1514 PolarHBondContact O-N 2.87Š| ||
| 1513 | I | 26.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 149 Ų | 149 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 122.3 | 165.1 | -62.9 | 172.6 | 0 | 0 | 0 | 108.9 | ||||
| 1514 | K | 26.2 | Very low | 29.1 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -153.6 | 155.5 | 155.6 | -131.2 | 171.5 | -174.9 | 175.3 | 0 | 112.1 | A1512 | A1512-K1514 PolarHBondContact O-N 2.87Š| ||
| 1515 | Y | 27.5 | Very low | 29.4 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -73.4 | 157.5 | -167.4 | -88.7 | -114.7 | 0 | 0 | 0 | 115.2 | ||||
| 1516 | H | 28 | Very low | 29.6 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 91.3 | 118.5 | 140.6 | -87.6 | 0.1 | 0 | 0 | 0 | 122.9 | ||||
| 1517 | V | 28.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 57% | 0.57 | 77% | 0.765 | S | S | * | * | trans | 71 | 114.9 | 134 | -176.7 | 0 | 0 | 0 | 0 | 119 | T1519 | V1517-T1519 HydrophobicContact CG1-CG2 3.83Å; V1517-T1519 PolarHBondContact O-N 2.8Å | ||
| 1518 | P | 31.7 | Very low | 29.9 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 108 | 159.1 | 31.1 | -30.7 | 0 | 0 | 0 | 109.6 | ||||
| 1519 | T | 32.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -87.4 | 140.6 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | V1517 | V1517-T1519 HydrophobicContact CG1-CG2 3.83Å; V1517-T1519 PolarHBondContact O-N 2.8Å | ||
| 1520 | N | 34.1 | Very low | 30.4 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -125 | 83 | 176.8 | -152.9 | -0.2 | 0 | 0 | 0 | 111.7 | ||||
| 1521 | S | 32.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | 59.8 | 112.6 | 160.9 | 75.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1522 | K | 33.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 81% | 0.809 | 75% | 0.746 | S | S | * | * | 163.1 | 147.5 | 108.8 | -90.9 | 172 | -176.9 | 172.6 | 0 | 115 | |||||
| 1523 | I | 33.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 93.7 | 155.5 | -62.7 | 150.9 | 0 | 0 | 0 | 119.1 | ||||
| 1524 | K | 31.5 | Very low | 30.7 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | 70.9 | 135.2 | 121 | -71.7 | -172.7 | 131.7 | -66.9 | 0 | 124.7 | |||||
| 1525 | D | 34.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 60% | 0.604 | 74% | 0.744 | S | S | * | * | trans | 54.2 | 145.1 | 139.5 | -39.6 | -9.5 | 0 | 0 | 0 | 119.8 | ||||
| 1526 | D | 33.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | cis | -165 | 161.2 | -7.5 | -116 | -29.2 | 0 | 0 | 0 | 111.2 | ||||
| 1527 | G | 32.5 | Very low | 30.6 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | trans | 98.5 | 128.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1528 | L | 30.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | 73.3 | 133 | 53.2 | -63.6 | 160.3 | 0 | 0 | 0 | 112.7 | |||||
| 1529 | M | 30.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | cis | -164.1 | 162.5 | 14 | -139.4 | 178.5 | -169.4 | 0 | 0 | 112.2 | ||||
| 1530 | N | 32 | Very low | 30.2 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | 47.8 | 130.9 | 158.6 | -55.4 | -19.5 | 0 | 0 | 0 | 120.5 | ||||
| 1531 | S | 26.9 | Very low | 29.8 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | cis | 78.3 | 111.5 | 34.5 | 86.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1532 | S | 29.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 163.9 | 148 | 123.6 | 60.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 1533 | K | 31.4 | Very low | 29.3 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 63.9 | 161.4 | 154.3 | -68.1 | 164.2 | -178.2 | 176.8 | 0 | 120 | ||||
| 1534 | I | 25.5 | Very low | 29 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | cis | 158.8 | 120.2 | -39.2 | -89.5 | 165.1 | 0 | 0 | 0 | 109.3 | ||||
| 1535 | W | 26 | Very low | 28.9 | Very low | 218 Ų | 218 | 138.5 Ų | 138.5 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | 73.8 | 146.5 | 150.4 | -81.4 | 27.1 | 0 | 0 | 0 | 124.4 | ||||
| 1536 | K | 27.2 | Very low | 28.6 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | 83.9 | 96.5 | 143.3 | -86.2 | -173.6 | 174.5 | -172.7 | 0 | 122.6 | ||||
| 1537 | S | 25.9 | Very low | 28.5 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | 60.6 | 134.3 | 110.9 | 68.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 1538 | E | 27.2 | Very low | 28.6 | Very low | 152 Ų | 152 | 144 Ų | 144 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | trans | 87.5 | 137.5 | 140.6 | -97.4 | -171.9 | -138.8 | 0 | 0 | 122.4 | ||||
| 1539 | K | 27.2 | Very low | 28.6 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | trans | 78.4 | 106.4 | 145.3 | -74.9 | -179.2 | 171.9 | 127.3 | 0 | 122 | ||||
| 1540 | Y | 29 | Very low | 28.5 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | 83.1 | 140.7 | 123.4 | -80.3 | -52.8 | 0 | 0 | 0 | 122.8 | |||||
| 1541 | F | 26.6 | Very low | 28.7 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 75% | 0.746 | 72% | 0.723 | S | S | * | * | trans | 56.9 | 86.7 | 150.9 | -82.5 | -78.9 | 0 | 0 | 0 | 120.1 | ||||
| 1542 | S | 25.6 | Very low | 28.9 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | 77.5 | 165 | 109.7 | 72.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1543 | H | 29.5 | Very low | 29.1 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | trans | 81.6 | 81.6 | 159.3 | -75.5 | -63.2 | 0 | 0 | 0 | 120.2 | ||||
| 1544 | T | 27.2 | Very low | 29.4 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | 83.8 | 129.6 | 111.6 | 45.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1545 | T | 28.1 | Very low | 29.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | 85.3 | 134.3 | 132.1 | 47.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1546 | E | 29.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | 79.1 | 97.7 | 141.7 | -73.7 | 156.5 | -154.8 | 0 | 0 | 119.3 | ||||
| 1547 | N | 31.5 | Very low | 31 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | 36.2 | 139 | 105.6 | -54.4 | 3.3 | 0 | 0 | 0 | 118.5 | |||||
| 1548 | I | 34.1 | Very low | 31.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | -171.2 | 107.6 | 112.8 | -94.9 | 155.3 | 0 | 0 | 0 | 110 | |||||
| 1549 | D | 29.7 | Very low | 32 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | 58.9 | 118.1 | 125.2 | -45.6 | -21 | 0 | 0 | 0 | 123.1 | |||||
| 1550 | E | 29.9 | Very low | 32.4 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | 86.1 | 153.4 | 117.8 | -76.5 | -166.7 | 157.9 | 0 | 0 | 124.6 | |||||
| 1551 | A | 34.4 | Very low | 32.6 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | 77.7 | 142.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1552 | S | 31 | Very low | 32.9 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | cis | -172.2 | 167.6 | -21.6 | 57 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1553 | N | 34.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | 65.8 | 141.3 | 150.8 | -61.7 | -19.4 | 0 | 0 | 0 | 118.2 | ||||
| 1554 | N | 36.9 | Very low | 33.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | cis | -161.1 | 133 | 7.3 | -115.9 | -15.1 | 0 | 0 | 0 | 113 | ||||
| 1555 | N | 36.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | 58.8 | 125 | 120.2 | -139.8 | 40.4 | 0 | 0 | 0 | 122.2 | |||||
| 1556 | I | 38 | Very low | 33.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | 171.4 | 110.4 | 114 | -85.7 | 160.8 | 0 | 0 | 0 | 111.1 | |||||
| 1557 | D | 38.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | trans | 53.7 | 147.4 | 132.6 | -58.9 | 9.9 | 0 | 0 | 0 | 122.4 | ||||
| 1558 | N | 36.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | cis | -160 | 145 | 6.2 | -127.2 | -37.1 | 0 | 0 | 0 | 113.1 | ||||
| 1559 | N | 37 | Very low | 32.9 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 59.2 | 141.6 | 151.1 | -67.2 | -33.2 | 0 | 0 | 0 | 121 | ||||
| 1560 | S | 35.3 | Very low | 32.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | cis | -163.5 | 127.9 | -2.3 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1561 | V | 33.5 | Very low | 32.8 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | 76.4 | 125.4 | 103.4 | 170.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1562 | V | 32.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | cis | -166 | 147.8 | 3.4 | 109.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1563 | R | 30.2 | Very low | 32.3 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | 50.4 | 162.8 | 155.6 | -66.3 | -179.8 | 169.9 | 126.4 | -0.5 | 120.1 | D1565 | R1563-D1565 WeakPolarHBondContact CG-OD2 3.45Å; R1563-D1565 IonicContact NE-OD2 2.92Å | ||
| 1564 | T | 33.9 | Very low | 32 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | cis | -124.3 | 140.5 | 9.7 | 36.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1565 | D | 29.6 | Very low | 31.5 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | 70.2 | 135.5 | 68.4 | -58.7 | -41.5 | 0 | 0 | 0 | 113.1 | R1563 | R1563-D1565 WeakPolarHBondContact CG-OD2 3.45Å; R1563-D1565 IonicContact NE-OD2 2.92Å | |||
| 1566 | L | 28.9 | Very low | 31.1 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | cis | -164.7 | 139.2 | -1.2 | -105.9 | 169.1 | 0 | 0 | 0 | 113.7 | ||||
| 1567 | T | 27.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | trans | 32.2 | 126.6 | 140.8 | 57.4 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1568 | S | 26.4 | Very low | 30.5 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 53.2 | 123.3 | 123 | 76.7 | 0 | 0 | 0 | 0 | 126 | |||||
| 1569 | S | 29.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | 41.8 | 178.3 | 128.9 | 72.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1570 | W | 28 | Very low | 29.9 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | 72.7 | 135.8 | -170.3 | -54.1 | 79.2 | 0 | 0 | 0 | 112.5 | ||||
| 1571 | N | 30 | Very low | 29.6 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | -127.3 | 157.7 | 3.6 | -79.5 | -31.4 | 0 | 0 | 0 | 109.3 | ||||
| 1572 | E | 27.5 | Very low | 29.4 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | cis | 90.7 | 114.4 | 42.6 | -144.8 | -171.4 | -121.4 | 0 | 0 | 114.7 | ||||
| 1573 | T | 28.1 | Very low | 29.4 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | 66.2 | 146.5 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1574 | G | 27.7 | Very low | 29.8 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | cis | 166 | 134.3 | -15 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1575 | I | 26.3 | Very low | 29.5 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | 71.2 | 146.1 | 158.9 | -44.5 | 178.4 | 0 | 0 | 0 | 118.3 | ||||
| 1576 | W | 28 | Very low | 29.5 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 109.7 | 90.5 | 166.1 | -70.1 | 87.9 | 0 | 0 | 0 | 118.2 | ||||
| 1577 | T | 29.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 33.3 | 152.8 | 132.9 | 49.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1578 | P | 35.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -102.4 | 163.9 | -160.5 | 40.9 | -36.6 | 0 | 0 | 0 | 116.3 | ||||
| 1579 | E | 29.6 | Very low | 30 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -161.4 | -171.6 | 150.7 | -121.8 | 166.1 | -148 | 0 | 0 | 111.9 | ||||
| 1580 | E | 31.1 | Very low | 30.1 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -107.4 | 161.7 | -146 | -50.6 | -178.7 | 125.7 | 0 | 0 | 119.1 | ||||
| 1581 | S | 28.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 87.5 | 116.9 | 137.6 | 76.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1582 | N | 29.9 | Very low | 30.2 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 56.8 | 112.9 | 130.8 | -72.4 | -15.5 | 0 | 0 | 0 | 124.5 | ||||
| 1583 | T | 33.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 77.5 | 162.9 | 136.2 | 70 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1584 | P | 38.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | -139.3 | -174.4 | -60.9 | 42.2 | -26.3 | 0 | 0 | 0 | 114.9 | |||||
| 1585 | L | 26.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 87.3 | 113.6 | 156.4 | -118.6 | 83.6 | 0 | 0 | 0 | 122 | ||||
| 1586 | E | 31.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 150 Ų | 150 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 30.6 | 128.3 | 140.5 | -64.6 | -155.1 | 105 | 0 | 0 | 126 | ||||
| 1587 | K | 32.4 | Very low | 30.4 | Very low | 165 Ų | 165 | 147 Ų | 147 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 80.1 | 174.5 | 132 | -78 | 172.9 | 176.1 | 146.6 | 0 | 120.6 | ||||
| 1588 | W | 29.2 | Very low | 30.3 | Very low | 234 Ų | 234 | 146.9 Ų | 146.9 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | 86 | 128.1 | -172.2 | -65.2 | 79.8 | 0 | 0 | 0 | 115.1 | ||||
| 1589 | V | 30.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 148 Ų | 148 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | cis | -157.7 | 174.5 | -11.4 | 82 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1590 | E | 30.3 | Very low | 30.2 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -60.4 | 173.6 | 174.3 | -52 | 148.7 | 111.8 | 0 | 0 | 114.8 | ||||
| 1591 | L | 30.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | -174.9 | 161.6 | 123.5 | -103.8 | 167 | 0 | 0 | 0 | 115.9 | |||||
| 1592 | S | 30.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 68 | 87.7 | 159.4 | 51.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1593 | E | 28.6 | Very low | 30.4 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | -13.7 | 146.8 | 128.5 | -46.1 | 170.1 | 128.5 | 0 | 0 | 117.9 | |||||
| 1594 | Q | 31.6 | Very low | 30.3 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | -173.2 | 131.7 | 112.1 | -102.7 | -176.8 | 35.9 | 0 | 0 | 116.8 | |||||
| 1595 | N | 26.2 | Very low | 29.8 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 13.7 | 120.4 | 146 | -58.5 | -42 | 0 | 0 | 0 | 122.8 | ||||
| 1596 | S | 28 | Very low | 30 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | 177.2 | 103.3 | 121.2 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1597 | Q | 26.2 | Very low | 30 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | 56.2 | 133.2 | 91.9 | -80.5 | -159.6 | -6.6 | 0 | 0 | 117.7 | |||||
| 1598 | N | 28.2 | Very low | 30 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | 74.5 | 142.5 | 161.2 | -61.9 | -25.5 | 0 | 0 | 0 | 117.4 | ||||
| 1599 | H | 33.1 | Very low | 30.4 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | cis | -155 | 140.4 | 2.3 | -112.3 | -29 | 0 | 0 | 0 | 114 | ||||
| 1600 | N | 30.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 117.3 | 132.1 | -63.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1601 | N | 29.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | 72.4 | 108.3 | 119.8 | -54.3 | -8.6 | 0 | 0 | 0 | 121.8 | |||||
| 1602 | N | 33.9 | Very low | 30.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | 172.9 | 122.7 | 100.7 | -90.1 | -49.9 | 0 | 0 | 0 | 109.6 | |||||
| 1603 | S | 28.8 | Very low | 30.3 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | 63.8 | 133.2 | 82.8 | 79.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1604 | F | 32.4 | Very low | 30.6 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | cis | -130.9 | 175.9 | 30.3 | -103.3 | -96.8 | 0 | 0 | 0 | 116 | ||||
| 1605 | T | 27.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -106 | 143.5 | -162.9 | 38.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1606 | T | 30.7 | Very low | 30.7 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | trans | -167.7 | 151.2 | 172.3 | 18.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1607 | T | 31.4 | Very low | 30.8 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | -147.7 | 166.2 | -9 | -50.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1608 | V | 33.1 | Very low | 31.1 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -141.8 | 147.1 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1609 | P | 36.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | cis | -119 | 166.8 | 27.9 | 19.9 | 5.5 | 0 | 0 | 0 | 114.9 | ||||
| 1610 | S | 31.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | 78.2 | 127.7 | 38.6 | 98.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1611 | T | 32.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | -172 | 173.8 | 71.8 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1612 | M | 28.4 | Very low | 31.6 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | cis | -159.9 | 139.2 | -21.8 | -107.4 | 177 | 167.2 | 0 | 0 | 108 | ||||
| 1613 | K | 28.6 | Very low | 31.7 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 50.7 | 123.7 | 98.2 | -61.7 | -167.4 | 175.9 | -172.7 | 0 | 115.9 | |||||
| 1614 | S | 35.2 | Very low | 32 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | cis | 76.4 | 127.2 | 42.7 | 83.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1615 | N | 30.3 | Very low | 32 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -150.2 | 121.6 | 158.6 | -88.9 | -45.6 | 0 | 0 | 0 | 107.9 | ||||
| 1616 | N | 29.5 | Very low | 32.4 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | 72.3 | 97.5 | 74.4 | -65.1 | -23.7 | 0 | 0 | 0 | 111.7 | |||||
| 1617 | T | 30 | Very low | 32.3 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | 61.4 | 124.7 | 79.3 | 65.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1618 | I | 31.1 | Very low | 32.3 | Very low | 171 Ų | 171 | 131 Ų | 131 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -163.5 | 157.6 | 140.6 | -106.2 | 155.5 | 0 | 0 | 0 | 111 | ||||
| 1619 | T | 31.2 | Very low | 32.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -106.3 | 170 | -156.2 | 46.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1620 | A | 33.4 | Very low | 31.7 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | 106.9 | 111.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1621 | T | 34.2 | Very low | 31.6 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | 77.8 | 136.4 | 127.7 | 58.1 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1622 | S | 34.6 | Very low | 31.5 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 113.6 | 100.1 | 130.2 | -176.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1623 | N | 35.9 | Very low | 31.6 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 78.2 | 112.8 | 133.6 | -73.8 | -48.5 | 0 | 0 | 0 | 123.9 | ||||
| 1624 | R | 35.5 | Very low | 31.8 | Very low | 210 Ų | 210 | 127 Ų | 127 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | 92.5 | 111.6 | 116.9 | -76.6 | -172.9 | 168.9 | -160.5 | -4.5 | 123.9 | |||||
| 1625 | I | 32 | Very low | 31.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | 62.1 | 149.3 | 129.4 | -34.1 | 159.4 | 0 | 0 | 0 | 119.9 | |||||
| 1626 | I | 34.6 | Very low | 31.7 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | 108.6 | 88.2 | 155.8 | -54.8 | -175.8 | 0 | 0 | 0 | 116 | ||||
| 1627 | D | 29.9 | Very low | 31.9 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | 62.3 | 147 | 123.5 | -63 | -33.1 | 0 | 0 | 0 | 125.1 | |||||
| 1628 | V | 31.7 | Very low | 32 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | trans | 85.6 | 91.5 | 135.9 | 158.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1629 | T | 28.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | 84.2 | 151.6 | 128 | 68.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1630 | N | 28.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 70.4 | 84.3 | 142.1 | -68.4 | -5 | 0 | 0 | 0 | 120.5 | ||||
| 1631 | S | 27.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | 60.4 | 138.5 | 104.1 | 72.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1632 | A | 30.6 | Very low | 32.1 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 76.6 | 153.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1633 | D | 30.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | cis | -159.9 | 167.6 | 2.4 | -149.8 | -22 | 0 | 0 | 0 | 112.2 | ||||
| 1634 | K | 32.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 65.8 | 115.2 | 158.2 | -75.9 | 135.3 | -169.5 | 148.7 | 0 | 117.4 | ||||
| 1635 | N | 32.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | 70.8 | 139.8 | 73.6 | -72.3 | -59.3 | 0 | 0 | 0 | 111.6 | |||||
| 1636 | I | 33.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | -154.5 | 122.2 | 63.8 | -86.2 | 176.1 | 0 | 0 | 0 | 112.8 | |||||
| 1637 | K | 32.4 | Very low | 30.8 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | trans | 54.9 | 164.3 | 131.2 | -47.9 | -177.8 | -173.7 | 179.9 | 0 | 119.1 | ||||
| 1638 | S | 32.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | cis | -159.3 | 162.2 | 14.7 | -9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1639 | N | 37.2 | Very low | 30.8 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -170.4 | 160 | 0.9 | -107.9 | 7.4 | 0 | 0 | 0 | 105.5 | ||||
| 1640 | T | 33.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | cis | -162.6 | 133.9 | -5 | 13.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1641 | H | 32.2 | Very low | 30.7 | Very low | 154 Ų | 154 | 133 Ų | 133 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | 57.5 | 148.1 | 100.3 | -71.4 | -85.5 | 0 | 0 | 0 | 116.3 | |||||
| 1642 | M | 29.8 | Very low | 30.8 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | cis | -146.1 | 140.8 | 12 | -125.1 | 148.2 | 66.6 | 0 | 0 | 107.8 | ||||
| 1643 | V | 30.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | cis | 66.8 | 112.9 | 45.2 | -178.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1644 | C | 28.2 | Very low | 30.5 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | -169.4 | 144.6 | 127.6 | -106.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1645 | E | 30.2 | Very low | 30.4 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -105.5 | -178.4 | -178.6 | -57.9 | 174.3 | 131.9 | 0 | 0 | 112.2 | ||||
| 1646 | N | 27.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | 91.8 | 146.1 | 144.7 | -69.6 | -48.4 | 0 | 0 | 0 | 120.8 | ||||
| 1647 | L | 27.8 | Very low | 29.9 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | 79.9 | 110.7 | 161.5 | -64.1 | 142 | 0 | 0 | 0 | 119.5 | ||||
| 1648 | F | 28.1 | Very low | 29.7 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | 16.8 | 150.4 | 122 | -69.3 | -91 | 0 | 0 | 0 | 119.8 | |||||
| 1649 | P | 34.7 | Very low | 29.6 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | cis | -135.9 | -145.5 | -41.3 | 34.5 | -12.7 | 0 | 0 | 0 | 109.8 | ||||
| 1650 | H | 27.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | 73.1 | 129.2 | 160.3 | -70.5 | -55 | 0 | 0 | 0 | 121.7 | ||||
| 1651 | I | 27.1 | Very low | 29 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | 56.6 | 115.9 | 129.1 | -53.8 | 167 | 0 | 0 | 0 | 119.2 | |||||
| 1652 | G | 28.5 | Very low | 28.9 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | trans | 142 | 99.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1653 | R | 26.8 | Very low | 29 | Very low | 239 Ų | 239 | 128.4 Ų | 128.4 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | 53.5 | 98.9 | 84.7 | -68.1 | -175.1 | 172.1 | 179.1 | -2 | 114.5 | |||||
| 1654 | Q | 28.9 | Very low | 28.9 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | 28.5 | 146.6 | 110 | -82 | -127.2 | 10.5 | 0 | 0 | 118.9 | |||||
| 1655 | P | 31.1 | Very low | 28.9 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | cis | -151.1 | -162.3 | 24.5 | 43.2 | -21.7 | 0 | 0 | 0 | 117.1 | ||||
| 1656 | K | 26.5 | Very low | 28.9 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | trans | 80.2 | 124.9 | 153.3 | -73.1 | 169.2 | -171.3 | 178.9 | 0 | 118.3 | ||||
| 1657 | L | 26.7 | Very low | 29 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | 70.9 | 138.9 | 67.6 | -87.7 | 85 | 0 | 0 | 0 | 113.1 | |||||
| 1658 | A | 28.9 | Very low | 29.1 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | cis | -142.6 | -143.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1659 | D | 29.7 | Very low | 29.2 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | cis | -163.2 | -166 | 3.8 | -156.6 | 61.2 | 0 | 0 | 0 | 108.1 | Y1240 Q1241 | Y1240-D1659 CarbonylContact O-C 3.58Å; Q1241-D1659 CarbonylContact C-O 3.49Å; Q1241-D1659 VanDerWaalsContact C-O 3.23Å; Q1241-D1659 CarbonylContact O-C 3.6Å | ||
| 1660 | S | 28.5 | Very low | 29 | Very low | 32 Ų | 32 | 124 Ų | 124 | 22% | 0.224 | 65% | 0.649 | C | S | . | * | -144.4 | 134.8 | -90.5 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | Q1241 K1662 | Q1241-S1660 CarbonylContact O-C 3.56Å; Q1241-S1660 WeakPolarHBondContact O-CA 3.49Å; Q1241-S1660 PolarHBondContact O-N 2.78Å; S1660-K1662 WeakPolarHBondContact O-CE 3.17Å; S1660-K1662 PolarHBondContact O-NZ 3.13Å; S1660-K1662 PolarHBondContact OG-NZ 3.28Å | |||
| 1661 | G | 30.6 | Very low | 29.1 | Very low | 7 Ų | 7 | 121.5 Ų | 121.5 | 7% | 0.072 | 65% | 0.649 | C | S | . | * | trans | 64.9 | 176 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q1241 | Q1241-G1661 VanDerWaalsContact CB-C 3.47Å; Q1241-G1661 WeakPolarHBondContact CB-O 3.21Å; Q1241-G1661 PolarHBondContact O-N 3.27Å; Q1241-G1661 VanDerWaalsContact O-N 3.07Å; Q1241-G1661 VanDerWaalsContact O-O 3.1Å | ||
| 1662 | K | 30.4 | Very low | 29.1 | Very low | 129 Ų | 129 | 119 Ų | 119 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | cis | -152.6 | 162.8 | 4.4 | -70.4 | 92.5 | -165.5 | 165.3 | 0 | 106.9 | Q1241 S1660 | Q1241-K1662 PolarHBondContact NE2-O 3.13Å; Q1241-K1662 VanDerWaalsContact OE1-N 3.09Å; S1660-K1662 WeakPolarHBondContact O-CE 3.17Å; S1660-K1662 PolarHBondContact O-NZ 3.13Å; S1660-K1662 PolarHBondContact OG-NZ 3.28Å | ||
| 1663 | Y | 30.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | cis | -171.6 | 154.3 | -24.3 | -89.7 | -32.6 | 0 | 0 | 0 | 109.5 | ||||
| 1664 | M | 28.6 | Very low | 29.1 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 83% | 0.828 | 67% | 0.672 | S | S | * | * | trans | 67.6 | 159.5 | 150 | -71.4 | 166.3 | 65.8 | 0 | 0 | 121.1 | ||||
| 1665 | S | 29.1 | Very low | 29.1 | Very low | 92 Ų | 92 | 121.1 Ų | 121.1 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | cis | -178.6 | 162.5 | -25.9 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1666 | A | 29.1 | Very low | 29 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | trans | 77.1 | 146.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1667 | A | 30.6 | Very low | 29.1 | Very low | 64 Ų | 64 | 119.6 Ų | 119.6 | 53% | 0.529 | 66% | 0.661 | S | S | . | * | cis | -175 | 153 | -14.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1668 | L | 29 | Very low | 29.3 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | trans | 63.4 | 136.1 | 154.6 | -65 | 162.1 | 0 | 0 | 0 | 116.8 | ||||
| 1669 | R | 30.1 | Very low | 29.3 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | cis | -176 | 157.7 | 40 | -133.8 | 174.1 | -172.2 | -128.1 | 5.6 | 113.2 | ||||
| 1670 | E | 30.4 | Very low | 29.3 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | trans | 55.6 | 121.2 | 143.3 | -78.4 | 150.1 | -158 | 0 | 0 | 123.7 | ||||
| 1671 | S | 30.6 | Very low | 29.3 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | 23.9 | 136 | 143.1 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1672 | S | 26.2 | Very low | 29.2 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | 71.3 | 73.8 | 26.4 | 92.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1673 | F | 24.8 | Very low | 29.1 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | -170.6 | 111.4 | 139.9 | -119.8 | -68.7 | 0 | 0 | 0 | 112.3 | ||||
| 1674 | V | 30.5 | Very low | 29 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 100% | 1.248 | 76% | 0.756 | S | S | * | * | -139.2 | 0 | 120.2 | 176.6 | 0 | 0 | 0 | 0 | 105.4 |
Retrieved 1,674 of 1,674 residues in 2120.4 ms
(Link to these results)